data_4GTW # _entry.id 4GTW # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.295 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4GTW RCSB RCSB074626 WWPDB D_1000074626 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4GTX . unspecified PDB 4GTY . unspecified PDB 4GTZ . unspecified # _pdbx_database_status.entry_id 4GTW _pdbx_database_status.status_code REL _pdbx_database_status.methods_development_category ? _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.recvd_initial_deposition_date 2012-08-29 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Kato, K.' 1 ? 'Nishimasu, H.' 2 ? 'Ishitani, R.' 3 ? 'Nureki, O.' 4 ? # _citation.id primary _citation.title 'Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.' _citation.journal_abbrev Proc.Natl.Acad.Sci.USA _citation.journal_volume 109 _citation.page_first 16876 _citation.page_last 16881 _citation.year 2012 _citation.journal_id_ASTM PNASA6 _citation.country US _citation.journal_id_ISSN 0027-8424 _citation.journal_id_CSD 0040 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23027977 _citation.pdbx_database_id_DOI 10.1073/pnas.1208017109 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Kato, K.' 1 primary 'Nishimasu, H.' 2 primary 'Okudaira, S.' 3 primary 'Mihara, E.' 4 primary 'Ishitani, R.' 5 primary 'Takagi, J.' 6 primary 'Aoki, J.' 7 primary 'Nureki, O.' 8 # _cell.length_a 105.283 _cell.length_b 105.283 _cell.length_c 173.685 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 120.000 _cell.entry_id 4GTW _cell.pdbx_unique_axis ? _cell.Z_PDB 6 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'P 31' _symmetry.entry_id 4GTW _symmetry.Int_Tables_number 144 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # 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 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Alkaline phosphodiesterase I' 95122.953 2 3.1.4.39 K59R ? 'THE FUSION PROTEIN OF ENPP2 (UNP RESIDUES 51-59) AND ENPP1 (UNP RESIDUES 92-905)' 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 3 ? ? ? ? 5 non-polymer syn 'ADENOSINE MONOPHOSPHATE' 347.221 2 ? ? ? ? 6 non-polymer syn 'ZINC ION' 65.409 4 ? ? ? ? 7 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ? 8 water nat water 18.015 121 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'E-NPP 2, Autotaxin, Extracellular lysophospholipase D, LysoPLD, Ectonucleotide pyrophosphatase/phosphodiesterase 1, isoform CRA_d' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;WTNTSGSCRGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINY SSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKN(MSE)RP(MSE)Y PTKTFPNHYSIVTGLYPESHGIIDNK(MSE)YDPK(MSE)NASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPG SDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVG (MSE)L(MSE)DGLKDLGLDKCLNLILISDHG(MSE)EQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSF NYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSN(MSE)Q ALFIGYGPAFKHGAEVDSFENIEVYNL(MSE)CDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSN DLGCTCDPWIVPIKDFEKQLNLTTEDDDIYH(MSE)TVPYGRPRILLKQHRVCLLQQQQFLTGYSLDLL(MSE)PLWASY TFLSNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVP(MSE)YQSFQV IWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSAL ESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED ; _entity_poly.pdbx_seq_one_letter_code_can ;WTNTSGSCRGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINY SSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNH YSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVY NGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLIL ISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLH FAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLI PAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDDDIYHMTVPYGRP RILLKQHRVCLLQQQQFLTGYSLDLLMPLWASYTFLSNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTP PRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRS QEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQ DRQESVSELLRLKTHLPIFSQED ; _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 TRP n 1 2 THR n 1 3 ASN n 1 4 THR n 1 5 SER n 1 6 GLY n 1 7 SER n 1 8 CYS n 1 9 ARG n 1 10 GLY n 1 11 ARG n 1 12 CYS n 1 13 PHE n 1 14 GLU n 1 15 ARG n 1 16 THR n 1 17 PHE n 1 18 SER n 1 19 ASN n 1 20 CYS n 1 21 ARG n 1 22 CYS n 1 23 ASP n 1 24 ALA n 1 25 ALA n 1 26 CYS n 1 27 VAL n 1 28 SER n 1 29 LEU n 1 30 GLY n 1 31 ASN n 1 32 CYS n 1 33 CYS n 1 34 LEU n 1 35 ASP n 1 36 PHE n 1 37 GLN n 1 38 GLU n 1 39 THR n 1 40 CYS n 1 41 VAL n 1 42 GLU n 1 43 PRO n 1 44 THR n 1 45 HIS n 1 46 ILE n 1 47 TRP n 1 48 THR n 1 49 CYS n 1 50 ASN n 1 51 LYS n 1 52 PHE n 1 53 ARG n 1 54 CYS n 1 55 GLY n 1 56 GLU n 1 57 LYS n 1 58 ARG n 1 59 LEU n 1 60 SER n 1 61 ARG n 1 62 PHE n 1 63 VAL n 1 64 CYS n 1 65 SER n 1 66 CYS n 1 67 ALA n 1 68 ASP n 1 69 ASP n 1 70 CYS n 1 71 LYS n 1 72 THR n 1 73 HIS n 1 74 ASN n 1 75 ASP n 1 76 CYS n 1 77 CYS n 1 78 ILE n 1 79 ASN n 1 80 TYR n 1 81 SER n 1 82 SER n 1 83 VAL n 1 84 CYS n 1 85 GLN n 1 86 ASP n 1 87 LYS n 1 88 LYS n 1 89 SER n 1 90 TRP n 1 91 VAL n 1 92 GLU n 1 93 GLU n 1 94 THR n 1 95 CYS n 1 96 GLU n 1 97 SER n 1 98 ILE n 1 99 ASP n 1 100 THR n 1 101 PRO n 1 102 GLU n 1 103 CYS n 1 104 PRO n 1 105 ALA n 1 106 GLU n 1 107 PHE n 1 108 GLU n 1 109 SER n 1 110 PRO n 1 111 PRO n 1 112 THR n 1 113 LEU n 1 114 LEU n 1 115 PHE n 1 116 SER n 1 117 LEU n 1 118 ASP n 1 119 GLY n 1 120 PHE n 1 121 ARG n 1 122 ALA n 1 123 GLU n 1 124 TYR n 1 125 LEU n 1 126 HIS n 1 127 THR n 1 128 TRP n 1 129 GLY n 1 130 GLY n 1 131 LEU n 1 132 LEU n 1 133 PRO n 1 134 VAL n 1 135 ILE n 1 136 SER n 1 137 LYS n 1 138 LEU n 1 139 LYS n 1 140 ASN n 1 141 CYS n 1 142 GLY n 1 143 THR n 1 144 TYR n 1 145 THR n 1 146 LYS n 1 147 ASN n 1 148 MSE n 1 149 ARG n 1 150 PRO n 1 151 MSE n 1 152 TYR n 1 153 PRO n 1 154 THR n 1 155 LYS n 1 156 THR n 1 157 PHE n 1 158 PRO n 1 159 ASN n 1 160 HIS n 1 161 TYR n 1 162 SER n 1 163 ILE n 1 164 VAL n 1 165 THR n 1 166 GLY n 1 167 LEU n 1 168 TYR n 1 169 PRO n 1 170 GLU n 1 171 SER n 1 172 HIS n 1 173 GLY n 1 174 ILE n 1 175 ILE n 1 176 ASP n 1 177 ASN n 1 178 LYS n 1 179 MSE n 1 180 TYR n 1 181 ASP n 1 182 PRO n 1 183 LYS n 1 184 MSE n 1 185 ASN n 1 186 ALA n 1 187 SER n 1 188 PHE n 1 189 SER n 1 190 LEU n 1 191 LYS n 1 192 SER n 1 193 LYS n 1 194 GLU n 1 195 LYS n 1 196 PHE n 1 197 ASN n 1 198 PRO n 1 199 LEU n 1 200 TRP n 1 201 TYR n 1 202 LYS n 1 203 GLY n 1 204 GLN n 1 205 PRO n 1 206 ILE n 1 207 TRP n 1 208 VAL n 1 209 THR n 1 210 ALA n 1 211 ASN n 1 212 HIS n 1 213 GLN n 1 214 GLU n 1 215 VAL n 1 216 LYS n 1 217 SER n 1 218 GLY n 1 219 THR n 1 220 TYR n 1 221 PHE n 1 222 TRP n 1 223 PRO n 1 224 GLY n 1 225 SER n 1 226 ASP n 1 227 VAL n 1 228 GLU n 1 229 ILE n 1 230 ASP n 1 231 GLY n 1 232 ILE n 1 233 LEU n 1 234 PRO n 1 235 ASP n 1 236 ILE n 1 237 TYR n 1 238 LYS n 1 239 VAL n 1 240 TYR n 1 241 ASN n 1 242 GLY n 1 243 SER n 1 244 VAL n 1 245 PRO n 1 246 PHE n 1 247 GLU n 1 248 GLU n 1 249 ARG n 1 250 ILE n 1 251 LEU n 1 252 ALA n 1 253 VAL n 1 254 LEU n 1 255 GLU n 1 256 TRP n 1 257 LEU n 1 258 GLN n 1 259 LEU n 1 260 PRO n 1 261 SER n 1 262 HIS n 1 263 GLU n 1 264 ARG n 1 265 PRO n 1 266 HIS n 1 267 PHE n 1 268 TYR n 1 269 THR n 1 270 LEU n 1 271 TYR n 1 272 LEU n 1 273 GLU n 1 274 GLU n 1 275 PRO n 1 276 ASP n 1 277 SER n 1 278 SER n 1 279 GLY n 1 280 HIS n 1 281 SER n 1 282 HIS n 1 283 GLY n 1 284 PRO n 1 285 VAL n 1 286 SER n 1 287 SER n 1 288 GLU n 1 289 VAL n 1 290 ILE n 1 291 LYS n 1 292 ALA n 1 293 LEU n 1 294 GLN n 1 295 LYS n 1 296 VAL n 1 297 ASP n 1 298 ARG n 1 299 LEU n 1 300 VAL n 1 301 GLY n 1 302 MSE n 1 303 LEU n 1 304 MSE n 1 305 ASP n 1 306 GLY n 1 307 LEU n 1 308 LYS n 1 309 ASP n 1 310 LEU n 1 311 GLY n 1 312 LEU n 1 313 ASP n 1 314 LYS n 1 315 CYS n 1 316 LEU n 1 317 ASN n 1 318 LEU n 1 319 ILE n 1 320 LEU n 1 321 ILE n 1 322 SER n 1 323 ASP n 1 324 HIS n 1 325 GLY n 1 326 MSE n 1 327 GLU n 1 328 GLN n 1 329 GLY n 1 330 SER n 1 331 CYS n 1 332 LYS n 1 333 LYS n 1 334 TYR n 1 335 VAL n 1 336 TYR n 1 337 LEU n 1 338 ASN n 1 339 LYS n 1 340 TYR n 1 341 LEU n 1 342 GLY n 1 343 ASP n 1 344 VAL n 1 345 ASN n 1 346 ASN n 1 347 VAL n 1 348 LYS n 1 349 VAL n 1 350 VAL n 1 351 TYR n 1 352 GLY n 1 353 PRO n 1 354 ALA n 1 355 ALA n 1 356 ARG n 1 357 LEU n 1 358 ARG n 1 359 PRO n 1 360 THR n 1 361 ASP n 1 362 VAL n 1 363 PRO n 1 364 GLU n 1 365 THR n 1 366 TYR n 1 367 TYR n 1 368 SER n 1 369 PHE n 1 370 ASN n 1 371 TYR n 1 372 GLU n 1 373 ALA n 1 374 LEU n 1 375 ALA n 1 376 LYS n 1 377 ASN n 1 378 LEU n 1 379 SER n 1 380 CYS n 1 381 ARG n 1 382 GLU n 1 383 PRO n 1 384 ASN n 1 385 GLN n 1 386 HIS n 1 387 PHE n 1 388 ARG n 1 389 PRO n 1 390 TYR n 1 391 LEU n 1 392 LYS n 1 393 PRO n 1 394 PHE n 1 395 LEU n 1 396 PRO n 1 397 LYS n 1 398 ARG n 1 399 LEU n 1 400 HIS n 1 401 PHE n 1 402 ALA n 1 403 LYS n 1 404 SER n 1 405 ASP n 1 406 ARG n 1 407 ILE n 1 408 GLU n 1 409 PRO n 1 410 LEU n 1 411 THR n 1 412 PHE n 1 413 TYR n 1 414 LEU n 1 415 ASP n 1 416 PRO n 1 417 GLN n 1 418 TRP n 1 419 GLN n 1 420 LEU n 1 421 ALA n 1 422 LEU n 1 423 ASN n 1 424 PRO n 1 425 SER n 1 426 GLU n 1 427 ARG n 1 428 LYS n 1 429 TYR n 1 430 CYS n 1 431 GLY n 1 432 SER n 1 433 GLY n 1 434 PHE n 1 435 HIS n 1 436 GLY n 1 437 SER n 1 438 ASP n 1 439 ASN n 1 440 LEU n 1 441 PHE n 1 442 SER n 1 443 ASN n 1 444 MSE n 1 445 GLN n 1 446 ALA n 1 447 LEU n 1 448 PHE n 1 449 ILE n 1 450 GLY n 1 451 TYR n 1 452 GLY n 1 453 PRO n 1 454 ALA n 1 455 PHE n 1 456 LYS n 1 457 HIS n 1 458 GLY n 1 459 ALA n 1 460 GLU n 1 461 VAL n 1 462 ASP n 1 463 SER n 1 464 PHE n 1 465 GLU n 1 466 ASN n 1 467 ILE n 1 468 GLU n 1 469 VAL n 1 470 TYR n 1 471 ASN n 1 472 LEU n 1 473 MSE n 1 474 CYS n 1 475 ASP n 1 476 LEU n 1 477 LEU n 1 478 GLY n 1 479 LEU n 1 480 ILE n 1 481 PRO n 1 482 ALA n 1 483 PRO n 1 484 ASN n 1 485 ASN n 1 486 GLY n 1 487 SER n 1 488 HIS n 1 489 GLY n 1 490 SER n 1 491 LEU n 1 492 ASN n 1 493 HIS n 1 494 LEU n 1 495 LEU n 1 496 LYS n 1 497 LYS n 1 498 PRO n 1 499 ILE n 1 500 TYR n 1 501 ASN n 1 502 PRO n 1 503 SER n 1 504 HIS n 1 505 PRO n 1 506 LYS n 1 507 GLU n 1 508 GLU n 1 509 GLY n 1 510 PHE n 1 511 LEU n 1 512 SER n 1 513 GLN n 1 514 CYS n 1 515 PRO n 1 516 ILE n 1 517 LYS n 1 518 SER n 1 519 THR n 1 520 SER n 1 521 ASN n 1 522 ASP n 1 523 LEU n 1 524 GLY n 1 525 CYS n 1 526 THR n 1 527 CYS n 1 528 ASP n 1 529 PRO n 1 530 TRP n 1 531 ILE n 1 532 VAL n 1 533 PRO n 1 534 ILE n 1 535 LYS n 1 536 ASP n 1 537 PHE n 1 538 GLU n 1 539 LYS n 1 540 GLN n 1 541 LEU n 1 542 ASN n 1 543 LEU n 1 544 THR n 1 545 THR n 1 546 GLU n 1 547 ASP n 1 548 ASP n 1 549 ASP n 1 550 ILE n 1 551 TYR n 1 552 HIS n 1 553 MSE n 1 554 THR n 1 555 VAL n 1 556 PRO n 1 557 TYR n 1 558 GLY n 1 559 ARG n 1 560 PRO n 1 561 ARG n 1 562 ILE n 1 563 LEU n 1 564 LEU n 1 565 LYS n 1 566 GLN n 1 567 HIS n 1 568 ARG n 1 569 VAL n 1 570 CYS n 1 571 LEU n 1 572 LEU n 1 573 GLN n 1 574 GLN n 1 575 GLN n 1 576 GLN n 1 577 PHE n 1 578 LEU n 1 579 THR n 1 580 GLY n 1 581 TYR n 1 582 SER n 1 583 LEU n 1 584 ASP n 1 585 LEU n 1 586 LEU n 1 587 MSE n 1 588 PRO n 1 589 LEU n 1 590 TRP n 1 591 ALA n 1 592 SER n 1 593 TYR n 1 594 THR n 1 595 PHE n 1 596 LEU n 1 597 SER n 1 598 ASN n 1 599 ASP n 1 600 GLN n 1 601 PHE n 1 602 SER n 1 603 ARG n 1 604 ASP n 1 605 ASP n 1 606 PHE n 1 607 SER n 1 608 ASN n 1 609 CYS n 1 610 LEU n 1 611 TYR n 1 612 GLN n 1 613 ASP n 1 614 LEU n 1 615 ARG n 1 616 ILE n 1 617 PRO n 1 618 LEU n 1 619 SER n 1 620 PRO n 1 621 VAL n 1 622 HIS n 1 623 LYS n 1 624 CYS n 1 625 SER n 1 626 TYR n 1 627 TYR n 1 628 LYS n 1 629 SER n 1 630 ASN n 1 631 SER n 1 632 LYS n 1 633 LEU n 1 634 SER n 1 635 TYR n 1 636 GLY n 1 637 PHE n 1 638 LEU n 1 639 THR n 1 640 PRO n 1 641 PRO n 1 642 ARG n 1 643 LEU n 1 644 ASN n 1 645 ARG n 1 646 VAL n 1 647 SER n 1 648 ASN n 1 649 HIS n 1 650 ILE n 1 651 TYR n 1 652 SER n 1 653 GLU n 1 654 ALA n 1 655 LEU n 1 656 LEU n 1 657 THR n 1 658 SER n 1 659 ASN n 1 660 ILE n 1 661 VAL n 1 662 PRO n 1 663 MSE n 1 664 TYR n 1 665 GLN n 1 666 SER n 1 667 PHE n 1 668 GLN n 1 669 VAL n 1 670 ILE n 1 671 TRP n 1 672 HIS n 1 673 TYR n 1 674 LEU n 1 675 HIS n 1 676 ASP n 1 677 THR n 1 678 LEU n 1 679 LEU n 1 680 GLN n 1 681 ARG n 1 682 TYR n 1 683 ALA n 1 684 HIS n 1 685 GLU n 1 686 ARG n 1 687 ASN n 1 688 GLY n 1 689 ILE n 1 690 ASN n 1 691 VAL n 1 692 VAL n 1 693 SER n 1 694 GLY n 1 695 PRO n 1 696 VAL n 1 697 PHE n 1 698 ASP n 1 699 PHE n 1 700 ASP n 1 701 TYR n 1 702 ASP n 1 703 GLY n 1 704 ARG n 1 705 TYR n 1 706 ASP n 1 707 SER n 1 708 LEU n 1 709 GLU n 1 710 ILE n 1 711 LEU n 1 712 LYS n 1 713 GLN n 1 714 ASN n 1 715 SER n 1 716 ARG n 1 717 VAL n 1 718 ILE n 1 719 ARG n 1 720 SER n 1 721 GLN n 1 722 GLU n 1 723 ILE n 1 724 LEU n 1 725 ILE n 1 726 PRO n 1 727 THR n 1 728 HIS n 1 729 PHE n 1 730 PHE n 1 731 ILE n 1 732 VAL n 1 733 LEU n 1 734 THR n 1 735 SER n 1 736 CYS n 1 737 LYS n 1 738 GLN n 1 739 LEU n 1 740 SER n 1 741 GLU n 1 742 THR n 1 743 PRO n 1 744 LEU n 1 745 GLU n 1 746 CYS n 1 747 SER n 1 748 ALA n 1 749 LEU n 1 750 GLU n 1 751 SER n 1 752 SER n 1 753 ALA n 1 754 TYR n 1 755 ILE n 1 756 LEU n 1 757 PRO n 1 758 HIS n 1 759 ARG n 1 760 PRO n 1 761 ASP n 1 762 ASN n 1 763 ILE n 1 764 GLU n 1 765 SER n 1 766 CYS n 1 767 THR n 1 768 HIS n 1 769 GLY n 1 770 LYS n 1 771 ARG n 1 772 GLU n 1 773 SER n 1 774 SER n 1 775 TRP n 1 776 VAL n 1 777 GLU n 1 778 GLU n 1 779 LEU n 1 780 LEU n 1 781 THR n 1 782 LEU n 1 783 HIS n 1 784 ARG n 1 785 ALA n 1 786 ARG n 1 787 VAL n 1 788 THR n 1 789 ASP n 1 790 VAL n 1 791 GLU n 1 792 LEU n 1 793 ILE n 1 794 THR n 1 795 GLY n 1 796 LEU n 1 797 SER n 1 798 PHE n 1 799 TYR n 1 800 GLN n 1 801 ASP n 1 802 ARG n 1 803 GLN n 1 804 GLU n 1 805 SER n 1 806 VAL n 1 807 SER n 1 808 GLU n 1 809 LEU n 1 810 LEU n 1 811 ARG n 1 812 LEU n 1 813 LYS n 1 814 THR n 1 815 HIS n 1 816 LEU n 1 817 PRO n 1 818 ILE n 1 819 PHE n 1 820 SER n 1 821 GLN n 1 822 GLU n 1 823 ASP n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? 1 9 mouse ? 'Enpp2, Npps2, Pdnp2, Enpp1, mCG_9001' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'HEK293S GnT1-' ? ? ? ? ? plasmid ? ? ? 'modified pcDNA3.1' ? ? 1 2 sample ? 10 823 mouse ? 'Enpp2, Npps2, Pdnp2, Enpp1, mCG_9001' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'HEK293S GnT1-' ? ? ? ? ? plasmid ? ? ? 'modified pcDNA3.1' ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP ENPP2_MOUSE Q9R1E6 1 WTNTSGSCK 51 ? 2 UNP G3X9S2_MOUSE G3X9S2 1 ;GRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKS WVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYP ESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEER ILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQG SCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEP LTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHG SLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDDDIYHMTVPYGRPRILLKQHRV CLLQQQQFLTGYSLDLLMPLWASYTFLSNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNH IYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHF FIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSEL LRLKTHLPIFSQED ; 92 ? # 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 4GTW A 1 ? 9 ? Q9R1E6 51 ? 59 ? 51 59 2 2 4GTW A 10 ? 823 ? G3X9S2 92 ? 905 ? 92 905 3 1 4GTW B 1 ? 9 ? Q9R1E6 51 ? 59 ? 51 59 4 2 4GTW B 10 ? 823 ? G3X9S2 92 ? 905 ? 92 905 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4GTW ARG A 9 ? UNP Q9R1E6 LYS 59 'ENGINEERED MUTATION' 59 1 3 4GTW ARG B 9 ? UNP Q9R1E6 LYS 59 'ENGINEERED MUTATION' 59 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 AMP non-polymer . 'ADENOSINE MONOPHOSPHATE' ? 'C10 H14 N5 O7 P' 347.221 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MSE 'L-peptide linking' n SELENOMETHIONINE ? 'C5 H11 N O2 Se' 196.106 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.crystals_number 1 _exptl.entry_id 4GTW _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.pdbx_mosaicity 0.200 _exptl_crystal.pdbx_mosaicity_esd ? _exptl_crystal.density_Matthews 2.89 _exptl_crystal.density_diffrn ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_percent_sol 57.43 _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.pH 4.5 _exptl_crystal_grow.temp 293 _exptl_crystal_grow.pdbx_details 'PEG 600, MgOAc, NaCl, ZnSO4, pH 4.5, vapor diffusion, temperature 293K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'RAYONIX MX225HE' _diffrn_detector.pdbx_collection_date 2010-04-14 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9790 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SPRING-8 BEAMLINE BL32XU' _diffrn_source.pdbx_wavelength_list 0.9790 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site SPring-8 _diffrn_source.pdbx_synchrotron_beamline BL32XU # _reflns.entry_id 4GTW _reflns.d_resolution_high 2.700 _reflns.d_resolution_low 50.000 _reflns.number_obs 58977 _reflns.pdbx_Rmerge_I_obs 0.206 _reflns.pdbx_netI_over_sigmaI 5.400 _reflns.pdbx_chi_squared 1.444 _reflns.pdbx_redundancy 7.600 _reflns.percent_possible_obs 99.700 _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.number_all 58639 _reflns.pdbx_Rsym_value ? _reflns.B_iso_Wilson_estimate ? _reflns.R_free_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.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.pdbx_rejects _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.meanI_over_sigI_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 2.700 2.750 ? ? ? ? 0.533 ? ? 0.684 4.700 ? ? ? 2876 ? ? ? ? 97.500 ? ? 1 1 2.750 2.800 ? ? ? ? 0.528 ? ? 0.596 5.200 ? ? ? 2891 ? ? ? ? 99.400 ? ? 2 1 2.800 2.850 ? ? ? ? 0.518 ? ? 0.622 5.400 ? ? ? 2927 ? ? ? ? 99.500 ? ? 3 1 2.850 2.910 ? ? ? ? 0.514 ? ? 0.621 5.400 ? ? ? 2966 ? ? ? ? 99.300 ? ? 4 1 2.910 2.970 ? ? ? ? 0.502 ? ? 0.649 5.700 ? ? ? 2882 ? ? ? ? 99.600 ? ? 5 1 2.970 3.040 ? ? ? ? 0.495 ? ? 0.657 5.800 ? ? ? 2932 ? ? ? ? 99.800 ? ? 6 1 3.040 3.120 ? ? ? ? 0.462 ? ? 0.725 6.200 ? ? ? 2959 ? ? ? ? 99.600 ? ? 7 1 3.120 3.200 ? ? ? ? 0.438 ? ? 0.752 6.500 ? ? ? 2881 ? ? ? ? 99.800 ? ? 8 1 3.200 3.300 ? ? ? ? 0.397 ? ? 0.793 7.000 ? ? ? 2986 ? ? ? ? 99.900 ? ? 9 1 3.300 3.400 ? ? ? ? 0.361 ? ? 0.858 7.400 ? ? ? 2930 ? ? ? ? 99.900 ? ? 10 1 3.400 3.520 ? ? ? ? 0.407 ? ? 1.622 7.800 ? ? ? 2930 ? ? ? ? 99.900 ? ? 11 1 3.520 3.660 ? ? ? ? 0.351 ? ? 1.728 8.100 ? ? ? 2907 ? ? ? ? 99.900 ? ? 12 1 3.660 3.830 ? ? ? ? 0.279 ? ? 1.608 8.600 ? ? ? 2958 ? ? ? ? 99.900 ? ? 13 1 3.830 4.030 ? ? ? ? 0.268 ? ? 2.016 8.900 ? ? ? 2988 ? ? ? ? 100.000 ? ? 14 1 4.030 4.290 ? ? ? ? 0.151 ? ? 1.290 9.400 ? ? ? 2893 ? ? ? ? 99.900 ? ? 15 1 4.290 4.620 ? ? ? ? 0.122 ? ? 1.449 9.700 ? ? ? 2980 ? ? ? ? 99.900 ? ? 16 1 4.620 5.080 ? ? ? ? 0.111 ? ? 1.630 10.000 ? ? ? 2918 ? ? ? ? 99.900 ? ? 17 1 5.080 5.810 ? ? ? ? 0.129 ? ? 1.779 9.800 ? ? ? 2970 ? ? ? ? 99.900 ? ? 18 1 5.810 7.320 ? ? ? ? 0.109 ? ? 1.872 10.100 ? ? ? 2914 ? ? ? ? 99.900 ? ? 19 1 7.320 50.000 ? ? ? ? 0.070 ? ? 3.436 10.900 ? ? ? 2951 ? ? ? ? 99.800 ? ? 20 1 # _refine.entry_id 4GTW _refine.ls_d_res_high 2.7000 _refine.ls_d_res_low 48.8750 _refine.pdbx_ls_sigma_F 2.030 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 99.7200 _refine.ls_number_reflns_obs 58639 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method ? _refine.pdbx_R_Free_selection_details ? _refine.details ? _refine.ls_R_factor_all 0.2331 _refine.ls_R_factor_obs 0.2331 _refine.ls_R_factor_R_work 0.2308 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2764 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 5.0600 _refine.ls_number_reflns_R_free 2984 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 48.2999 _refine.solvent_model_param_bsol 14.7620 _refine.solvent_model_param_ksol 0.3100 _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] 1.4850 _refine.aniso_B[2][2] 1.4850 _refine.aniso_B[3][3] -2.9701 _refine.aniso_B[1][2] -0.0000 _refine.aniso_B[1][3] -0.0000 _refine.aniso_B[2][3] -0.0000 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.9600 _refine.overall_SU_B ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.pdbx_solvent_vdw_probe_radii 1.1000 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.8600 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct SAD _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set 0.7884 _refine.B_iso_max 192.470 _refine.B_iso_min 1.520 _refine.pdbx_overall_phase_error 29.0100 _refine.occupancy_max 1.000 _refine.occupancy_min 1.000 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 11017 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 208 _refine_hist.number_atoms_solvent 121 _refine_hist.number_atoms_total 11346 _refine_hist.d_res_high 2.7000 _refine_hist.d_res_low 48.8750 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 11604 0.004 ? ? ? 'X-RAY DIFFRACTION' f_angle_d 15805 0.763 ? ? ? 'X-RAY DIFFRACTION' f_chiral_restr 1762 0.043 ? ? ? 'X-RAY DIFFRACTION' f_plane_restr 2008 0.004 ? ? ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 4179 15.329 ? ? ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_R_free _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.pdbx_refine_id _refine_ls_shell.redundancy_reflns_obs 2.6995 2.7438 21 98.0000 2597 . 0.3925 0.4169 . 130 . 2727 . 'X-RAY DIFFRACTION' . 2.7438 2.7911 21 99.0000 2649 . 0.3622 0.4125 . 139 . 2788 . 'X-RAY DIFFRACTION' . 2.7911 2.8418 21 100.0000 2675 . 0.3517 0.4058 . 156 . 2831 . 'X-RAY DIFFRACTION' . 2.8418 2.8965 21 99.0000 2641 . 0.3502 0.3748 . 153 . 2794 . 'X-RAY DIFFRACTION' . 2.8965 2.9556 21 100.0000 2650 . 0.3134 0.3356 . 139 . 2789 . 'X-RAY DIFFRACTION' . 2.9556 3.0199 21 100.0000 2683 . 0.3008 0.3407 . 125 . 2808 . 'X-RAY DIFFRACTION' . 3.0199 3.0901 21 100.0000 2718 . 0.2980 0.3688 . 136 . 2854 . 'X-RAY DIFFRACTION' . 3.0901 3.1674 21 100.0000 2654 . 0.2843 0.3214 . 147 . 2801 . 'X-RAY DIFFRACTION' . 3.1674 3.2530 21 100.0000 2645 . 0.2615 0.3047 . 139 . 2784 . 'X-RAY DIFFRACTION' . 3.2530 3.3487 21 100.0000 2644 . 0.2411 0.3235 . 143 . 2787 . 'X-RAY DIFFRACTION' . 3.3487 3.4567 21 100.0000 2717 . 0.2343 0.2782 . 151 . 2868 . 'X-RAY DIFFRACTION' . 3.4567 3.5802 21 100.0000 2645 . 0.2241 0.3080 . 147 . 2792 . 'X-RAY DIFFRACTION' . 3.5802 3.7235 21 100.0000 2662 . 0.2103 0.2359 . 145 . 2807 . 'X-RAY DIFFRACTION' . 3.7235 3.8929 21 100.0000 2712 . 0.1874 0.2502 . 141 . 2853 . 'X-RAY DIFFRACTION' . 3.8929 4.0981 21 100.0000 2661 . 0.1745 0.2052 . 121 . 2782 . 'X-RAY DIFFRACTION' . 4.0981 4.3547 21 100.0000 2688 . 0.1711 0.2117 . 143 . 2831 . 'X-RAY DIFFRACTION' . 4.3547 4.6907 21 100.0000 2669 . 0.1583 0.2115 . 144 . 2813 . 'X-RAY DIFFRACTION' . 4.6907 5.1622 21 100.0000 2666 . 0.1631 0.2140 . 148 . 2814 . 'X-RAY DIFFRACTION' . 5.1622 5.9081 21 100.0000 2660 . 0.1904 0.2356 . 164 . 2824 . 'X-RAY DIFFRACTION' . 5.9081 7.4394 21 100.0000 2696 . 0.1997 0.2310 . 128 . 2824 . 'X-RAY DIFFRACTION' . 7.4394 48.8826 21 100.0000 2661 . 0.2165 0.2546 . 145 . 2806 . 'X-RAY DIFFRACTION' . # _struct.entry_id 4GTW _struct.title 'Crystal structure of mouse Enpp1 in complex with AMP' _struct.pdbx_descriptor 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Alkaline phosphodiesterase I (E.C.3.1.4.39)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4GTW _struct_keywords.text 'Bone Mineralization, Phosphodiesterase, 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 2 ? E N N 3 ? F N N 4 ? G N N 4 ? H N N 4 ? I N N 2 ? J N N 2 ? K N N 5 ? L N N 6 ? M N N 6 ? N N N 7 ? O N N 2 ? P N N 2 ? Q N N 2 ? R N N 2 ? S N N 5 ? T N N 6 ? U N N 6 ? V N N 7 ? W N N 8 ? X N N 8 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ARG A 121 ? TRP A 128 ? ARG A 203 TRP A 210 1 ? 8 HELX_P HELX_P2 2 GLY A 129 ? LEU A 131 ? GLY A 211 LEU A 213 5 ? 3 HELX_P HELX_P3 3 LEU A 132 ? CYS A 141 ? LEU A 214 CYS A 223 1 ? 10 HELX_P HELX_P4 4 LYS A 155 ? GLY A 166 ? LYS A 237 GLY A 248 1 ? 12 HELX_P HELX_P5 5 TYR A 168 ? GLY A 173 ? TYR A 250 GLY A 255 1 ? 6 HELX_P HELX_P6 6 SER A 192 ? ASN A 197 ? SER A 274 ASN A 279 5 ? 6 HELX_P HELX_P7 7 PRO A 205 ? GLN A 213 ? PRO A 287 GLN A 295 1 ? 9 HELX_P HELX_P8 8 PRO A 245 ? LEU A 257 ? PRO A 327 LEU A 339 1 ? 13 HELX_P HELX_P9 9 PRO A 275 ? GLY A 283 ? PRO A 357 GLY A 365 1 ? 9 HELX_P HELX_P10 10 SER A 286 ? LEU A 310 ? SER A 368 LEU A 392 1 ? 25 HELX_P HELX_P11 11 LEU A 337 ? GLY A 342 ? LEU A 419 GLY A 424 1 ? 6 HELX_P HELX_P12 12 ASN A 370 ? SER A 379 ? ASN A 452 SER A 461 1 ? 10 HELX_P HELX_P13 13 PRO A 393 ? LEU A 395 ? PRO A 475 LEU A 477 5 ? 3 HELX_P HELX_P14 14 PRO A 396 ? HIS A 400 ? PRO A 478 HIS A 482 5 ? 5 HELX_P HELX_P15 15 PHE A 441 ? GLN A 445 ? PHE A 523 GLN A 527 5 ? 5 HELX_P HELX_P16 16 GLU A 468 ? GLY A 478 ? GLU A 550 GLY A 560 1 ? 11 HELX_P HELX_P17 17 LEU A 491 ? LEU A 495 ? LEU A 573 LEU A 577 5 ? 5 HELX_P HELX_P18 18 ASP A 547 ? VAL A 555 ? ASP A 629 VAL A 637 1 ? 9 HELX_P HELX_P19 19 LYS A 623 ? TYR A 627 ? LYS A 705 TYR A 709 5 ? 5 HELX_P HELX_P20 20 SER A 652 ? SER A 658 ? SER A 734 SER A 740 5 ? 7 HELX_P HELX_P21 21 GLN A 665 ? THR A 677 ? GLN A 747 THR A 759 1 ? 13 HELX_P HELX_P22 22 THR A 677 ? ARG A 686 ? THR A 759 ARG A 768 1 ? 10 HELX_P HELX_P23 23 SER A 707 ? ASN A 714 ? SER A 789 ASN A 796 1 ? 8 HELX_P HELX_P24 24 ARG A 771 ? HIS A 783 ? ARG A 853 HIS A 865 1 ? 13 HELX_P HELX_P25 25 ARG A 786 ? GLY A 795 ? ARG A 868 GLY A 877 1 ? 10 HELX_P HELX_P26 26 SER A 805 ? THR A 814 ? SER A 887 THR A 896 1 ? 10 HELX_P HELX_P27 27 ARG B 121 ? TRP B 128 ? ARG B 203 TRP B 210 1 ? 8 HELX_P HELX_P28 28 GLY B 129 ? LEU B 131 ? GLY B 211 LEU B 213 5 ? 3 HELX_P HELX_P29 29 LEU B 132 ? CYS B 141 ? LEU B 214 CYS B 223 1 ? 10 HELX_P HELX_P30 30 LYS B 155 ? GLY B 166 ? LYS B 237 GLY B 248 1 ? 12 HELX_P HELX_P31 31 TYR B 168 ? GLY B 173 ? TYR B 250 GLY B 255 1 ? 6 HELX_P HELX_P32 32 SER B 192 ? ASN B 197 ? SER B 274 ASN B 279 5 ? 6 HELX_P HELX_P33 33 PRO B 205 ? GLN B 213 ? PRO B 287 GLN B 295 1 ? 9 HELX_P HELX_P34 34 PRO B 245 ? LEU B 257 ? PRO B 327 LEU B 339 1 ? 13 HELX_P HELX_P35 35 PRO B 275 ? GLY B 283 ? PRO B 357 GLY B 365 1 ? 9 HELX_P HELX_P36 36 SER B 286 ? LEU B 310 ? SER B 368 LEU B 392 1 ? 25 HELX_P HELX_P37 37 LEU B 337 ? GLY B 342 ? LEU B 419 GLY B 424 1 ? 6 HELX_P HELX_P38 38 ASN B 370 ? SER B 379 ? ASN B 452 SER B 461 1 ? 10 HELX_P HELX_P39 39 PRO B 393 ? LEU B 395 ? PRO B 475 LEU B 477 5 ? 3 HELX_P HELX_P40 40 PRO B 396 ? HIS B 400 ? PRO B 478 HIS B 482 5 ? 5 HELX_P HELX_P41 41 PHE B 441 ? GLN B 445 ? PHE B 523 GLN B 527 5 ? 5 HELX_P HELX_P42 42 GLU B 468 ? GLY B 478 ? GLU B 550 GLY B 560 1 ? 11 HELX_P HELX_P43 43 LEU B 491 ? LEU B 495 ? LEU B 573 LEU B 577 5 ? 5 HELX_P HELX_P44 44 ASP B 548 ? VAL B 555 ? ASP B 630 VAL B 637 1 ? 8 HELX_P HELX_P45 45 LYS B 623 ? TYR B 627 ? LYS B 705 TYR B 709 5 ? 5 HELX_P HELX_P46 46 SER B 652 ? SER B 658 ? SER B 734 SER B 740 5 ? 7 HELX_P HELX_P47 47 TYR B 664 ? THR B 677 ? TYR B 746 THR B 759 1 ? 14 HELX_P HELX_P48 48 THR B 677 ? ARG B 686 ? THR B 759 ARG B 768 1 ? 10 HELX_P HELX_P49 49 SER B 707 ? ASN B 714 ? SER B 789 ASN B 796 1 ? 8 HELX_P HELX_P50 50 ARG B 771 ? HIS B 783 ? ARG B 853 HIS B 865 1 ? 13 HELX_P HELX_P51 51 ARG B 786 ? GLY B 795 ? ARG B 868 GLY B 877 1 ? 10 HELX_P HELX_P52 52 SER B 805 ? THR B 814 ? SER B 887 THR B 896 1 ? 10 # _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 95 SG ? ? ? 1_555 A CYS 141 SG ? ? A CYS 177 A CYS 223 1_555 ? ? ? ? ? ? ? 2.032 ? disulf2 disulf ? ? A CYS 103 SG ? ? ? 1_555 A CYS 315 SG ? ? A CYS 185 A CYS 397 1_555 ? ? ? ? ? ? ? 2.030 ? disulf3 disulf ? ? A CYS 331 SG ? ? ? 1_555 A CYS 430 SG ? ? A CYS 413 A CYS 512 1_555 ? ? ? ? ? ? ? 2.032 ? disulf4 disulf ? ? A CYS 380 SG ? ? ? 1_555 A CYS 766 SG ? ? A CYS 462 A CYS 848 1_555 ? ? ? ? ? ? ? 2.036 ? disulf5 disulf ? ? A CYS 514 SG ? ? ? 1_555 A CYS 570 SG ? ? A CYS 596 A CYS 652 1_555 ? ? ? ? ? ? ? 2.032 ? disulf6 disulf ? ? A CYS 525 SG ? ? ? 1_555 A CYS 624 SG ? ? A CYS 607 A CYS 706 1_555 ? ? ? ? ? ? ? 2.024 ? disulf7 disulf ? ? A CYS 527 SG ? ? ? 1_555 A CYS 609 SG ? ? A CYS 609 A CYS 691 1_555 ? ? ? ? ? ? ? 2.025 ? disulf8 disulf ? ? A CYS 736 SG ? ? ? 1_555 A CYS 746 SG ? ? A CYS 818 A CYS 828 1_555 ? ? ? ? ? ? ? 2.030 ? disulf9 disulf ? ? B CYS 95 SG ? ? ? 1_555 B CYS 141 SG ? ? B CYS 177 B CYS 223 1_555 ? ? ? ? ? ? ? 2.029 ? disulf10 disulf ? ? B CYS 103 SG ? ? ? 1_555 B CYS 315 SG ? ? B CYS 185 B CYS 397 1_555 ? ? ? ? ? ? ? 2.030 ? disulf11 disulf ? ? B CYS 331 SG ? ? ? 1_555 B CYS 430 SG ? ? B CYS 413 B CYS 512 1_555 ? ? ? ? ? ? ? 2.031 ? disulf12 disulf ? ? B CYS 380 SG ? ? ? 1_555 B CYS 766 SG ? ? B CYS 462 B CYS 848 1_555 ? ? ? ? ? ? ? 2.026 ? disulf13 disulf ? ? B CYS 514 SG ? ? ? 1_555 B CYS 570 SG ? ? B CYS 596 B CYS 652 1_555 ? ? ? ? ? ? ? 2.029 ? disulf14 disulf ? ? B CYS 525 SG ? ? ? 1_555 B CYS 624 SG ? ? B CYS 607 B CYS 706 1_555 ? ? ? ? ? ? ? 2.031 ? disulf15 disulf ? ? B CYS 527 SG ? ? ? 1_555 B CYS 609 SG ? ? B CYS 609 B CYS 691 1_555 ? ? ? ? ? ? ? 2.040 ? disulf16 disulf ? ? B CYS 736 SG ? ? ? 1_555 B CYS 746 SG ? ? B CYS 818 B CYS 828 1_555 ? ? ? ? ? ? ? 2.029 ? covale1 covale ? ? A ASN 147 C ? ? ? 1_555 A MSE 148 N ? ? A ASN 229 A MSE 230 1_555 ? ? ? ? ? ? ? 1.327 ? covale2 covale ? ? A MSE 148 C ? ? ? 1_555 A ARG 149 N ? ? A MSE 230 A ARG 231 1_555 ? ? ? ? ? ? ? 1.328 ? covale3 covale ? ? A PRO 150 C ? ? ? 1_555 A MSE 151 N ? ? A PRO 232 A MSE 233 1_555 ? ? ? ? ? ? ? 1.328 ? covale4 covale ? ? A MSE 151 C ? ? ? 1_555 A TYR 152 N ? ? A MSE 233 A TYR 234 1_555 ? ? ? ? ? ? ? 1.329 ? covale5 covale ? ? A LYS 178 C ? ? ? 1_555 A MSE 179 N ? ? A LYS 260 A MSE 261 1_555 ? ? ? ? ? ? ? 1.328 ? covale6 covale ? ? A MSE 179 C ? ? ? 1_555 A TYR 180 N ? ? A MSE 261 A TYR 262 1_555 ? ? ? ? ? ? ? 1.329 ? covale7 covale ? ? A LYS 183 C ? ? ? 1_555 A MSE 184 N ? ? A LYS 265 A MSE 266 1_555 ? ? ? ? ? ? ? 1.328 ? covale8 covale ? ? A MSE 184 C ? ? ? 1_555 A ASN 185 N ? ? A MSE 266 A ASN 267 1_555 ? ? ? ? ? ? ? 1.331 ? covale9 covale ? ? A GLY 301 C ? ? ? 1_555 A MSE 302 N ? ? A GLY 383 A MSE 384 1_555 ? ? ? ? ? ? ? 1.330 ? covale10 covale ? ? A MSE 302 C ? ? ? 1_555 A LEU 303 N ? ? A MSE 384 A LEU 385 1_555 ? ? ? ? ? ? ? 1.328 ? covale11 covale ? ? A LEU 303 C ? ? ? 1_555 A MSE 304 N ? ? A LEU 385 A MSE 386 1_555 ? ? ? ? ? ? ? 1.330 ? covale12 covale ? ? A MSE 304 C ? ? ? 1_555 A ASP 305 N ? ? A MSE 386 A ASP 387 1_555 ? ? ? ? ? ? ? 1.330 ? covale13 covale ? ? A GLY 325 C ? ? ? 1_555 A MSE 326 N ? ? A GLY 407 A MSE 408 1_555 ? ? ? ? ? ? ? 1.330 ? covale14 covale ? ? A MSE 326 C ? ? ? 1_555 A GLU 327 N ? ? A MSE 408 A GLU 409 1_555 ? ? ? ? ? ? ? 1.330 ? covale15 covale ? ? A ASN 443 C ? ? ? 1_555 A MSE 444 N ? ? A ASN 525 A MSE 526 1_555 ? ? ? ? ? ? ? 1.329 ? covale16 covale ? ? A MSE 444 C ? ? ? 1_555 A GLN 445 N ? ? A MSE 526 A GLN 527 1_555 ? ? ? ? ? ? ? 1.329 ? covale17 covale ? ? A LEU 472 C ? ? ? 1_555 A MSE 473 N ? ? A LEU 554 A MSE 555 1_555 ? ? ? ? ? ? ? 1.328 ? covale18 covale ? ? A MSE 473 C ? ? ? 1_555 A CYS 474 N ? ? A MSE 555 A CYS 556 1_555 ? ? ? ? ? ? ? 1.327 ? covale19 covale ? ? A HIS 552 C ? ? ? 1_555 A MSE 553 N ? ? A HIS 634 A MSE 635 1_555 ? ? ? ? ? ? ? 1.329 ? covale20 covale ? ? A MSE 553 C ? ? ? 1_555 A THR 554 N ? ? A MSE 635 A THR 636 1_555 ? ? ? ? ? ? ? 1.330 ? covale21 covale ? ? A LEU 586 C ? ? ? 1_555 A MSE 587 N ? ? A LEU 668 A MSE 669 1_555 ? ? ? ? ? ? ? 1.331 ? covale22 covale ? ? A MSE 587 C ? ? ? 1_555 A PRO 588 N ? ? A MSE 669 A PRO 670 1_555 ? ? ? ? ? ? ? 1.345 ? covale23 covale ? ? A PRO 662 C ? ? ? 1_555 A MSE 663 N ? ? A PRO 744 A MSE 745 1_555 ? ? ? ? ? ? ? 1.328 ? covale24 covale ? ? A MSE 663 C ? ? ? 1_555 A TYR 664 N ? ? A MSE 745 A TYR 746 1_555 ? ? ? ? ? ? ? 1.329 ? covale25 covale ? ? B ASN 147 C ? ? ? 1_555 B MSE 148 N ? ? B ASN 229 B MSE 230 1_555 ? ? ? ? ? ? ? 1.327 ? covale26 covale ? ? B MSE 148 C ? ? ? 1_555 B ARG 149 N ? ? B MSE 230 B ARG 231 1_555 ? ? ? ? ? ? ? 1.327 ? covale27 covale ? ? B PRO 150 C ? ? ? 1_555 B MSE 151 N ? ? B PRO 232 B MSE 233 1_555 ? ? ? ? ? ? ? 1.329 ? covale28 covale ? ? B MSE 151 C ? ? ? 1_555 B TYR 152 N ? ? B MSE 233 B TYR 234 1_555 ? ? ? ? ? ? ? 1.328 ? covale29 covale ? ? B LYS 178 C ? ? ? 1_555 B MSE 179 N ? ? B LYS 260 B MSE 261 1_555 ? ? ? ? ? ? ? 1.329 ? covale30 covale ? ? B MSE 179 C ? ? ? 1_555 B TYR 180 N ? ? B MSE 261 B TYR 262 1_555 ? ? ? ? ? ? ? 1.329 ? covale31 covale ? ? B LYS 183 C ? ? ? 1_555 B MSE 184 N ? ? B LYS 265 B MSE 266 1_555 ? ? ? ? ? ? ? 1.329 ? covale32 covale ? ? B MSE 184 C ? ? ? 1_555 B ASN 185 N ? ? B MSE 266 B ASN 267 1_555 ? ? ? ? ? ? ? 1.331 ? covale33 covale ? ? B GLY 301 C ? ? ? 1_555 B MSE 302 N ? ? B GLY 383 B MSE 384 1_555 ? ? ? ? ? ? ? 1.329 ? covale34 covale ? ? B MSE 302 C ? ? ? 1_555 B LEU 303 N ? ? B MSE 384 B LEU 385 1_555 ? ? ? ? ? ? ? 1.329 ? covale35 covale ? ? B LEU 303 C ? ? ? 1_555 B MSE 304 N ? ? B LEU 385 B MSE 386 1_555 ? ? ? ? ? ? ? 1.329 ? covale36 covale ? ? B MSE 304 C ? ? ? 1_555 B ASP 305 N ? ? B MSE 386 B ASP 387 1_555 ? ? ? ? ? ? ? 1.330 ? covale37 covale ? ? B GLY 325 C ? ? ? 1_555 B MSE 326 N ? ? B GLY 407 B MSE 408 1_555 ? ? ? ? ? ? ? 1.329 ? covale38 covale ? ? B MSE 326 C ? ? ? 1_555 B GLU 327 N ? ? B MSE 408 B GLU 409 1_555 ? ? ? ? ? ? ? 1.328 ? covale39 covale ? ? B ASN 443 C ? ? ? 1_555 B MSE 444 N ? ? B ASN 525 B MSE 526 1_555 ? ? ? ? ? ? ? 1.329 ? covale40 covale ? ? B MSE 444 C ? ? ? 1_555 B GLN 445 N ? ? B MSE 526 B GLN 527 1_555 ? ? ? ? ? ? ? 1.329 ? covale41 covale ? ? B LEU 472 C ? ? ? 1_555 B MSE 473 N ? ? B LEU 554 B MSE 555 1_555 ? ? ? ? ? ? ? 1.329 ? covale42 covale ? ? B MSE 473 C ? ? ? 1_555 B CYS 474 N ? ? B MSE 555 B CYS 556 1_555 ? ? ? ? ? ? ? 1.329 ? covale43 covale ? ? B HIS 552 C ? ? ? 1_555 B MSE 553 N ? ? B HIS 634 B MSE 635 1_555 ? ? ? ? ? ? ? 1.327 ? covale44 covale ? ? B MSE 553 C ? ? ? 1_555 B THR 554 N ? ? B MSE 635 B THR 636 1_555 ? ? ? ? ? ? ? 1.329 ? covale45 covale ? ? B LEU 586 C ? ? ? 1_555 B MSE 587 N ? ? B LEU 668 B MSE 669 1_555 ? ? ? ? ? ? ? 1.329 ? covale46 covale ? ? B MSE 587 C ? ? ? 1_555 B PRO 588 N ? ? B MSE 669 B PRO 670 1_555 ? ? ? ? ? ? ? 1.342 ? covale47 covale ? ? B PRO 662 C ? ? ? 1_555 B MSE 663 N ? ? B PRO 744 B MSE 745 1_555 ? ? ? ? ? ? ? 1.329 ? covale48 covale ? ? B MSE 663 C ? ? ? 1_555 B TYR 664 N ? ? B MSE 745 B TYR 746 1_555 ? ? ? ? ? ? ? 1.330 ? covale49 covale ? ? A ASN 485 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 567 A NAG 1001 1_555 ? ? ? ? ? ? ? 1.437 ? covale50 covale ? ? B ASN 485 ND2 ? ? ? 1_555 O NAG . C1 ? ? B ASN 567 B NAG 1001 1_555 ? ? ? ? ? ? ? 1.438 ? covale51 covale ? ? A ASN 241 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 323 A NAG 1008 1_555 ? ? ? ? ? ? ? 1.439 ? covale52 covale ? ? A ASN 185 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 267 A NAG 1007 1_555 ? ? ? ? ? ? ? 1.440 ? covale53 covale ? ? O NAG . O4 ? ? ? 1_555 P NAG . C1 ? ? B NAG 1001 B NAG 1002 1_555 ? ? ? ? ? ? ? 1.440 ? covale54 covale ? ? B ASN 185 ND2 ? ? ? 1_555 Q NAG . C1 ? ? B ASN 267 B NAG 1003 1_555 ? ? ? ? ? ? ? 1.441 ? covale55 covale ? ? E BMA . O3 ? ? ? 1_555 F MAN . C1 ? ? A BMA 1003 A MAN 1004 1_555 ? ? ? ? ? ? ? 1.441 ? covale56 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 1001 A NAG 1002 1_555 ? ? ? ? ? ? ? 1.441 ? covale57 covale ? ? E BMA . O6 ? ? ? 1_555 G MAN . C1 ? ? A BMA 1003 A MAN 1005 1_555 ? ? ? ? ? ? ? 1.441 ? covale58 covale ? ? D NAG . O4 ? ? ? 1_555 E BMA . C1 ? ? A NAG 1002 A BMA 1003 1_555 ? ? ? ? ? ? ? 1.443 ? covale59 covale ? ? B ASN 241 ND2 ? ? ? 1_555 R NAG . C1 ? ? B ASN 323 B NAG 1004 1_555 ? ? ? ? ? ? ? 1.444 ? covale60 covale ? ? G MAN . O3 ? ? ? 1_555 H MAN . C1 ? ? A MAN 1005 A MAN 1006 1_555 ? ? ? ? ? ? ? 1.447 ? metalc1 metalc ? ? B THR 156 OG1 ? ? ? 1_555 T ZN . ZN ? ? B THR 238 B ZN 1006 1_555 ? ? ? ? ? ? ? 1.950 ? metalc2 metalc ? ? B HIS 324 NE2 ? ? ? 1_555 T ZN . ZN ? ? B HIS 406 B ZN 1006 1_555 ? ? ? ? ? ? ? 1.956 ? metalc3 metalc ? ? B ASP 118 OD1 ? ? ? 1_555 T ZN . ZN ? ? B ASP 200 B ZN 1006 1_555 ? ? ? ? ? ? ? 1.963 ? metalc4 metalc ? ? A HIS 324 NE2 ? ? ? 1_555 L ZN . ZN ? ? A HIS 406 A ZN 1010 1_555 ? ? ? ? ? ? ? 1.980 ? metalc5 metalc ? ? A THR 156 OG1 ? ? ? 1_555 L ZN . ZN ? ? A THR 238 A ZN 1010 1_555 ? ? ? ? ? ? ? 1.993 ? metalc6 metalc ? ? B HIS 435 NE2 ? ? ? 1_555 U ZN . ZN ? ? B HIS 517 B ZN 1007 1_555 ? ? ? ? ? ? ? 2.015 ? metalc7 metalc ? ? A ASP 118 OD1 ? ? ? 1_555 L ZN . ZN ? ? A ASP 200 A ZN 1010 1_555 ? ? ? ? ? ? ? 2.019 ? metalc8 metalc ? ? B HIS 280 NE2 ? ? ? 1_555 U ZN . ZN ? ? B HIS 362 B ZN 1007 1_555 ? ? ? ? ? ? ? 2.040 ? metalc9 metalc ? ? A HIS 280 NE2 ? ? ? 1_555 M ZN . ZN ? ? A HIS 362 A ZN 1011 1_555 ? ? ? ? ? ? ? 2.059 ? metalc10 metalc ? ? A ASP 323 OD2 ? ? ? 1_555 L ZN . ZN ? ? A ASP 405 A ZN 1010 1_555 ? ? ? ? ? ? ? 2.063 ? metalc11 metalc ? ? K AMP . O2P ? ? ? 1_555 L ZN . ZN ? ? A AMP 1009 A ZN 1010 1_555 ? ? ? ? ? ? ? 2.070 ? metalc12 metalc ? ? B ASP 276 OD2 ? ? ? 1_555 U ZN . ZN ? ? B ASP 358 B ZN 1007 1_555 ? ? ? ? ? ? ? 2.073 ? metalc13 metalc ? ? K AMP . O2P ? ? ? 1_555 M ZN . ZN ? ? A AMP 1009 A ZN 1011 1_555 ? ? ? ? ? ? ? 2.073 ? metalc14 metalc ? ? S AMP . O2P ? ? ? 1_555 U ZN . ZN ? ? B AMP 1005 B ZN 1007 1_555 ? ? ? ? ? ? ? 2.081 ? metalc15 metalc ? ? A HIS 435 NE2 ? ? ? 1_555 M ZN . ZN ? ? A HIS 517 A ZN 1011 1_555 ? ? ? ? ? ? ? 2.084 ? metalc16 metalc ? ? S AMP . O2P ? ? ? 1_555 T ZN . ZN ? ? B AMP 1005 B ZN 1006 1_555 ? ? ? ? ? ? ? 2.086 ? metalc17 metalc ? ? B ASP 323 OD2 ? ? ? 1_555 T ZN . ZN ? ? B ASP 405 B ZN 1006 1_555 ? ? ? ? ? ? ? 2.087 ? metalc18 metalc ? ? A ASP 276 OD1 ? ? ? 1_555 M ZN . ZN ? ? A ASP 358 A ZN 1011 1_555 ? ? ? ? ? ? ? 2.137 ? metalc19 metalc ? ? A ASP 276 OD2 ? ? ? 1_555 M ZN . ZN ? ? A ASP 358 A ZN 1011 1_555 ? ? ? ? ? ? ? 2.156 ? metalc20 metalc ? ? A ASP 702 OD1 ? ? ? 1_555 N CA . CA ? ? A ASP 784 A CA 1012 1_555 ? ? ? ? ? ? ? 2.306 ? metalc21 metalc ? ? A ASP 706 OD1 ? ? ? 1_555 N CA . CA ? ? A ASP 788 A CA 1012 1_555 ? ? ? ? ? ? ? 2.307 ? metalc22 metalc ? ? B ASP 706 OD1 ? ? ? 1_555 V CA . CA ? ? B ASP 788 B CA 1008 1_555 ? ? ? ? ? ? ? 2.334 ? metalc23 metalc ? ? B ASP 700 OD1 ? ? ? 1_555 V CA . CA ? ? B ASP 782 B CA 1008 1_555 ? ? ? ? ? ? ? 2.336 ? metalc24 metalc ? ? B ASP 702 OD1 ? ? ? 1_555 V CA . CA ? ? B ASP 784 B CA 1008 1_555 ? ? ? ? ? ? ? 2.344 ? metalc25 metalc ? ? A ARG 704 O ? ? ? 1_555 N CA . CA ? ? A ARG 786 A CA 1012 1_555 ? ? ? ? ? ? ? 2.345 ? metalc26 metalc ? ? B ARG 704 O ? ? ? 1_555 V CA . CA ? ? B ARG 786 B CA 1008 1_555 ? ? ? ? ? ? ? 2.347 ? metalc27 metalc ? ? A ASP 700 OD1 ? ? ? 1_555 N CA . CA ? ? A ASP 782 A CA 1012 1_555 ? ? ? ? ? ? ? 2.363 ? metalc28 metalc ? ? B ASP 698 OD1 ? ? ? 1_555 V CA . CA ? ? B ASP 780 B CA 1008 1_555 ? ? ? ? ? ? ? 2.396 ? metalc29 metalc ? ? A ASP 698 OD1 ? ? ? 1_555 N CA . CA ? ? A ASP 780 A CA 1012 1_555 ? ? ? ? ? ? ? 2.397 ? metalc30 metalc ? ? K AMP . O3P ? ? ? 1_555 M ZN . ZN ? ? A AMP 1009 A ZN 1011 1_555 ? ? ? ? ? ? ? 2.444 ? metalc31 metalc ? ? B ASP 276 OD1 ? ? ? 1_555 U ZN . ZN ? ? B ASP 358 B ZN 1007 1_555 ? ? ? ? ? ? ? 2.461 ? metalc32 metalc ? ? S AMP . O3P ? ? ? 1_555 U ZN . ZN ? ? B AMP 1005 B ZN 1007 1_555 ? ? ? ? ? ? ? 2.525 ? metalc33 metalc ? ? B ASP 118 OD2 ? ? ? 1_555 T ZN . ZN ? ? B ASP 200 B ZN 1006 1_555 ? ? ? ? ? ? ? 2.624 ? metalc34 metalc ? ? B ASP 700 OD2 ? ? ? 1_555 V CA . CA ? ? B ASP 782 B CA 1008 1_555 ? ? ? ? ? ? ? 2.724 ? metalc35 metalc ? ? A ASP 700 OD2 ? ? ? 1_555 N CA . CA ? ? A ASP 782 A CA 1012 1_555 ? ? ? ? ? ? ? 2.811 ? metalc36 metalc ? ? A ASP 702 OD2 ? ? ? 1_555 N CA . CA ? ? A ASP 784 A CA 1012 1_555 ? ? ? ? ? ? ? 3.063 ? metalc37 metalc ? ? B ASP 702 OD2 ? ? ? 1_555 V CA . CA ? ? B ASP 784 B CA 1008 1_555 ? ? ? ? ? ? ? 3.083 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 152 A . ? TYR 234 A PRO 153 A ? PRO 235 A 1 -3.94 2 GLU 274 A . ? GLU 356 A PRO 275 A ? PRO 357 A 1 -0.30 3 VAL 362 A . ? VAL 444 A PRO 363 A ? PRO 445 A 1 0.83 4 THR 519 A . ? THR 601 A SER 520 A ? SER 602 A 1 -4.82 5 LYS 565 A . ? LYS 647 A GLN 566 A ? GLN 648 A 1 -2.96 6 TYR 152 B . ? TYR 234 B PRO 153 B ? PRO 235 B 1 -4.02 7 GLU 274 B . ? GLU 356 B PRO 275 B ? PRO 357 B 1 -0.11 8 VAL 362 B . ? VAL 444 B PRO 363 B ? PRO 445 B 1 1.38 9 LYS 565 B . ? LYS 647 B GLN 566 B ? GLN 648 B 1 -2.74 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 7 ? B ? 2 ? C ? 2 ? D ? 2 ? E ? 2 ? F ? 4 ? G ? 8 ? H ? 2 ? I ? 2 ? J ? 2 ? K ? 7 ? L ? 2 ? M ? 2 ? N ? 2 ? O ? 2 ? P ? 4 ? Q ? 8 ? R ? 2 ? S ? 2 ? T ? 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 A 1 2 ? parallel A 2 3 ? parallel A 3 4 ? parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? parallel B 1 2 ? parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel G 5 6 ? anti-parallel G 6 7 ? anti-parallel G 7 8 ? anti-parallel H 1 2 ? anti-parallel I 1 2 ? anti-parallel J 1 2 ? anti-parallel K 1 2 ? parallel K 2 3 ? parallel K 3 4 ? parallel K 4 5 ? anti-parallel K 5 6 ? anti-parallel K 6 7 ? parallel L 1 2 ? parallel M 1 2 ? anti-parallel N 1 2 ? anti-parallel O 1 2 ? parallel P 1 2 ? anti-parallel P 2 3 ? anti-parallel P 3 4 ? anti-parallel Q 1 2 ? parallel Q 2 3 ? anti-parallel Q 3 4 ? anti-parallel Q 4 5 ? anti-parallel Q 5 6 ? anti-parallel Q 6 7 ? anti-parallel Q 7 8 ? anti-parallel R 1 2 ? anti-parallel S 1 2 ? anti-parallel T 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 SER A 217 ? GLY A 218 ? SER A 299 GLY A 300 A 2 PHE A 267 ? LEU A 272 ? PHE A 349 LEU A 354 A 3 THR A 112 ? LEU A 117 ? THR A 194 LEU A 199 A 4 ASN A 317 ? ILE A 321 ? ASN A 399 ILE A 403 A 5 PHE A 448 ? TYR A 451 ? PHE A 530 TYR A 533 A 6 THR A 143 ? THR A 145 ? THR A 225 THR A 227 A 7 ALA A 459 ? VAL A 461 ? ALA A 541 VAL A 543 B 1 MSE A 148 ? ARG A 149 ? MSE A 230 ARG A 231 B 2 PHE A 464 ? GLU A 465 ? PHE A 546 GLU A 547 C 1 MSE A 179 ? ASP A 181 ? MSE A 261 ASP A 263 C 2 ALA A 186 ? PHE A 188 ? ALA A 268 PHE A 270 D 1 GLU A 327 ? GLN A 328 ? GLU A 409 GLN A 410 D 2 GLY A 433 ? PHE A 434 ? GLY A 515 PHE A 516 E 1 TYR A 334 ? TYR A 336 ? TYR A 416 TYR A 418 E 2 GLN A 419 ? ALA A 421 ? GLN A 501 ALA A 503 F 1 VAL A 347 ? VAL A 350 ? VAL A 429 VAL A 432 F 2 ARG A 356 ? PRO A 359 ? ARG A 438 PRO A 441 F 3 LEU A 410 ? LEU A 414 ? LEU A 492 LEU A 496 F 4 PHE A 387 ? LEU A 391 ? PHE A 469 LEU A 473 G 1 PHE A 510 ? SER A 512 ? PHE A 592 SER A 594 G 2 ARG A 568 ? GLN A 573 ? ARG A 650 GLN A 655 G 3 PHE A 577 ? SER A 582 ? PHE A 659 SER A 664 G 4 MSE A 587 ? PHE A 595 ? MSE A 669 PHE A 677 G 5 ILE A 689 ? VAL A 696 ? ILE A 771 VAL A 778 G 6 HIS A 728 ? CYS A 736 ? HIS A 810 CYS A 818 G 7 LEU A 749 ? PRO A 757 ? LEU A 831 PRO A 839 G 8 ARG A 784 ? ALA A 785 ? ARG A 866 ALA A 867 H 1 ARG A 561 ? ILE A 562 ? ARG A 643 ILE A 644 H 2 LEU A 796 ? SER A 797 ? LEU A 878 SER A 879 I 1 LEU A 633 ? PHE A 637 ? LEU A 715 PHE A 719 I 2 ILE A 660 ? TYR A 664 ? ILE A 742 TYR A 746 J 1 ARG A 716 ? ILE A 718 ? ARG A 798 ILE A 800 J 2 GLN A 721 ? ILE A 723 ? GLN A 803 ILE A 805 K 1 SER B 217 ? GLY B 218 ? SER B 299 GLY B 300 K 2 PHE B 267 ? LEU B 272 ? PHE B 349 LEU B 354 K 3 THR B 112 ? LEU B 117 ? THR B 194 LEU B 199 K 4 ASN B 317 ? ILE B 321 ? ASN B 399 ILE B 403 K 5 PHE B 448 ? TYR B 451 ? PHE B 530 TYR B 533 K 6 THR B 143 ? THR B 145 ? THR B 225 THR B 227 K 7 ALA B 459 ? VAL B 461 ? ALA B 541 VAL B 543 L 1 MSE B 148 ? ARG B 149 ? MSE B 230 ARG B 231 L 2 PHE B 464 ? GLU B 465 ? PHE B 546 GLU B 547 M 1 MSE B 179 ? ASP B 181 ? MSE B 261 ASP B 263 M 2 ALA B 186 ? PHE B 188 ? ALA B 268 PHE B 270 N 1 GLU B 327 ? GLN B 328 ? GLU B 409 GLN B 410 N 2 GLY B 433 ? PHE B 434 ? GLY B 515 PHE B 516 O 1 TYR B 334 ? TYR B 336 ? TYR B 416 TYR B 418 O 2 GLN B 419 ? ALA B 421 ? GLN B 501 ALA B 503 P 1 VAL B 347 ? VAL B 350 ? VAL B 429 VAL B 432 P 2 ARG B 356 ? PRO B 359 ? ARG B 438 PRO B 441 P 3 LEU B 410 ? LEU B 414 ? LEU B 492 LEU B 496 P 4 PHE B 387 ? LEU B 391 ? PHE B 469 LEU B 473 Q 1 PHE B 510 ? SER B 512 ? PHE B 592 SER B 594 Q 2 ARG B 568 ? GLN B 573 ? ARG B 650 GLN B 655 Q 3 PHE B 577 ? SER B 582 ? PHE B 659 SER B 664 Q 4 MSE B 587 ? PHE B 595 ? MSE B 669 PHE B 677 Q 5 ILE B 689 ? VAL B 696 ? ILE B 771 VAL B 778 Q 6 HIS B 728 ? CYS B 736 ? HIS B 810 CYS B 818 Q 7 LEU B 749 ? PRO B 757 ? LEU B 831 PRO B 839 Q 8 ARG B 784 ? ALA B 785 ? ARG B 866 ALA B 867 R 1 ARG B 561 ? ILE B 562 ? ARG B 643 ILE B 644 R 2 LEU B 796 ? SER B 797 ? LEU B 878 SER B 879 S 1 SER B 634 ? PHE B 637 ? SER B 716 PHE B 719 S 2 ILE B 660 ? MSE B 663 ? ILE B 742 MSE B 745 T 1 ARG B 716 ? ILE B 718 ? ARG B 798 ILE B 800 T 2 GLN B 721 ? ILE B 723 ? GLN B 803 ILE B 805 # 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 A 1 2 N GLY A 218 ? N GLY A 300 O PHE A 267 ? O PHE A 349 A 2 3 O LEU A 270 ? O LEU A 352 N SER A 116 ? N SER A 198 A 3 4 N PHE A 115 ? N PHE A 197 O ILE A 321 ? O ILE A 403 A 4 5 N LEU A 318 ? N LEU A 400 O TYR A 451 ? O TYR A 533 A 5 6 O GLY A 450 ? O GLY A 532 N THR A 143 ? N THR A 225 A 6 7 N TYR A 144 ? N TYR A 226 O ALA A 459 ? O ALA A 541 B 1 2 N ARG A 149 ? N ARG A 231 O PHE A 464 ? O PHE A 546 C 1 2 N MSE A 179 ? N MSE A 261 O PHE A 188 ? O PHE A 270 D 1 2 N GLU A 327 ? N GLU A 409 O PHE A 434 ? O PHE A 516 E 1 2 N VAL A 335 ? N VAL A 417 O ALA A 421 ? O ALA A 503 F 1 2 N LYS A 348 ? N LYS A 430 O ARG A 358 ? O ARG A 440 F 2 3 N LEU A 357 ? N LEU A 439 O LEU A 410 ? O LEU A 492 F 3 4 O THR A 411 ? O THR A 493 N TYR A 390 ? N TYR A 472 G 1 2 N SER A 512 ? N SER A 594 O VAL A 569 ? O VAL A 651 G 2 3 N CYS A 570 ? N CYS A 652 O TYR A 581 ? O TYR A 663 G 3 4 N GLY A 580 ? N GLY A 662 O LEU A 589 ? O LEU A 671 G 4 5 N PHE A 595 ? N PHE A 677 O ILE A 689 ? O ILE A 771 G 5 6 N ASN A 690 ? N ASN A 772 O THR A 734 ? O THR A 816 G 6 7 N LEU A 733 ? N LEU A 815 O SER A 752 ? O SER A 834 G 7 8 N ALA A 753 ? N ALA A 835 O ALA A 785 ? O ALA A 867 H 1 2 N ARG A 561 ? N ARG A 643 O SER A 797 ? O SER A 879 I 1 2 N SER A 634 ? N SER A 716 O MSE A 663 ? O MSE A 745 J 1 2 N ARG A 716 ? N ARG A 798 O ILE A 723 ? O ILE A 805 K 1 2 N GLY B 218 ? N GLY B 300 O PHE B 267 ? O PHE B 349 K 2 3 O LEU B 270 ? O LEU B 352 N SER B 116 ? N SER B 198 K 3 4 N PHE B 115 ? N PHE B 197 O ILE B 321 ? O ILE B 403 K 4 5 N LEU B 318 ? N LEU B 400 O TYR B 451 ? O TYR B 533 K 5 6 O GLY B 450 ? O GLY B 532 N THR B 143 ? N THR B 225 K 6 7 N TYR B 144 ? N TYR B 226 O ALA B 459 ? O ALA B 541 L 1 2 N ARG B 149 ? N ARG B 231 O PHE B 464 ? O PHE B 546 M 1 2 N MSE B 179 ? N MSE B 261 O PHE B 188 ? O PHE B 270 N 1 2 N GLU B 327 ? N GLU B 409 O PHE B 434 ? O PHE B 516 O 1 2 N VAL B 335 ? N VAL B 417 O GLN B 419 ? O GLN B 501 P 1 2 N LYS B 348 ? N LYS B 430 O ARG B 358 ? O ARG B 440 P 2 3 N LEU B 357 ? N LEU B 439 O LEU B 410 ? O LEU B 492 P 3 4 O THR B 411 ? O THR B 493 N TYR B 390 ? N TYR B 472 Q 1 2 N SER B 512 ? N SER B 594 O VAL B 569 ? O VAL B 651 Q 2 3 N CYS B 570 ? N CYS B 652 O TYR B 581 ? O TYR B 663 Q 3 4 N GLY B 580 ? N GLY B 662 O LEU B 589 ? O LEU B 671 Q 4 5 N PHE B 595 ? N PHE B 677 O ILE B 689 ? O ILE B 771 Q 5 6 N ASN B 690 ? N ASN B 772 O THR B 734 ? O THR B 816 Q 6 7 N LEU B 733 ? N LEU B 815 O SER B 752 ? O SER B 834 Q 7 8 N ALA B 753 ? N ALA B 835 O ALA B 785 ? O ALA B 867 R 1 2 N ARG B 561 ? N ARG B 643 O SER B 797 ? O SER B 879 S 1 2 N SER B 634 ? N SER B 716 O MSE B 663 ? O MSE B 745 T 1 2 N ARG B 716 ? N ARG B 798 O ILE B 723 ? O ILE B 805 # 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 ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 1006' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 1007' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 1008' AC4 Software ? ? ? ? 15 'BINDING SITE FOR RESIDUE AMP A 1009' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE ZN A 1010' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 1011' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 1012' AC8 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 1003' AC9 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG B 1004' BC1 Software ? ? ? ? 16 'BINDING SITE FOR RESIDUE AMP B 1005' BC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE ZN B 1006' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN B 1007' BC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA B 1008' BC5 Software ? ? ? ? 11 'BINDING SITE FOR LINKED RESIDUES A 1001 to 1005' BC6 Software ? ? ? ? 6 'BINDING SITE FOR LINKED RESIDUES B 1001 to 1002' # 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 1 MAN G . ? MAN A 1005 . ? 1_555 ? 2 AC2 1 ASN A 185 ? ASN A 267 . ? 1_555 ? 3 AC3 5 ASN A 241 ? ASN A 323 . ? 1_555 ? 4 AC3 5 SER A 243 ? SER A 325 . ? 1_555 ? 5 AC3 5 VAL A 244 ? VAL A 326 . ? 1_555 ? 6 AC3 5 HOH W . ? HOH A 1129 . ? 1_555 ? 7 AC3 5 HOH W . ? HOH A 1161 . ? 1_555 ? 8 AC4 15 ASP A 118 ? ASP A 200 . ? 1_555 ? 9 AC4 15 THR A 156 ? THR A 238 . ? 1_555 ? 10 AC4 15 PHE A 157 ? PHE A 239 . ? 1_555 ? 11 AC4 15 ASN A 177 ? ASN A 259 . ? 1_555 ? 12 AC4 15 LEU A 190 ? LEU A 272 . ? 1_555 ? 13 AC4 15 LYS A 195 ? LYS A 277 . ? 1_555 ? 14 AC4 15 TYR A 240 ? TYR A 322 . ? 1_555 ? 15 AC4 15 TYR A 271 ? TYR A 353 . ? 1_555 ? 16 AC4 15 ASP A 276 ? ASP A 358 . ? 1_555 ? 17 AC4 15 HIS A 280 ? HIS A 362 . ? 1_555 ? 18 AC4 15 HIS A 324 ? HIS A 406 . ? 1_555 ? 19 AC4 15 HIS A 435 ? HIS A 517 . ? 1_555 ? 20 AC4 15 ZN L . ? ZN A 1010 . ? 1_555 ? 21 AC4 15 ZN M . ? ZN A 1011 . ? 1_555 ? 22 AC4 15 HOH W . ? HOH A 1169 . ? 1_555 ? 23 AC5 6 ASP A 118 ? ASP A 200 . ? 1_555 ? 24 AC5 6 THR A 156 ? THR A 238 . ? 1_555 ? 25 AC5 6 ASP A 276 ? ASP A 358 . ? 1_555 ? 26 AC5 6 ASP A 323 ? ASP A 405 . ? 1_555 ? 27 AC5 6 HIS A 324 ? HIS A 406 . ? 1_555 ? 28 AC5 6 AMP K . ? AMP A 1009 . ? 1_555 ? 29 AC6 4 ASP A 276 ? ASP A 358 . ? 1_555 ? 30 AC6 4 HIS A 280 ? HIS A 362 . ? 1_555 ? 31 AC6 4 HIS A 435 ? HIS A 517 . ? 1_555 ? 32 AC6 4 AMP K . ? AMP A 1009 . ? 1_555 ? 33 AC7 6 ASP A 698 ? ASP A 780 . ? 1_555 ? 34 AC7 6 ASP A 700 ? ASP A 782 . ? 1_555 ? 35 AC7 6 ASP A 702 ? ASP A 784 . ? 1_555 ? 36 AC7 6 ARG A 704 ? ARG A 786 . ? 1_555 ? 37 AC7 6 TYR A 705 ? TYR A 787 . ? 1_555 ? 38 AC7 6 ASP A 706 ? ASP A 788 . ? 1_555 ? 39 AC8 1 ASN B 185 ? ASN B 267 . ? 1_555 ? 40 AC9 2 ASN B 241 ? ASN B 323 . ? 1_555 ? 41 AC9 2 VAL B 244 ? VAL B 326 . ? 1_555 ? 42 BC1 16 ASP B 118 ? ASP B 200 . ? 1_555 ? 43 BC1 16 THR B 156 ? THR B 238 . ? 1_555 ? 44 BC1 16 PHE B 157 ? PHE B 239 . ? 1_555 ? 45 BC1 16 ASN B 177 ? ASN B 259 . ? 1_555 ? 46 BC1 16 LEU B 190 ? LEU B 272 . ? 1_555 ? 47 BC1 16 LYS B 195 ? LYS B 277 . ? 1_555 ? 48 BC1 16 TYR B 240 ? TYR B 322 . ? 1_555 ? 49 BC1 16 TYR B 271 ? TYR B 353 . ? 1_555 ? 50 BC1 16 GLU B 273 ? GLU B 355 . ? 1_555 ? 51 BC1 16 ASP B 276 ? ASP B 358 . ? 1_555 ? 52 BC1 16 HIS B 280 ? HIS B 362 . ? 1_555 ? 53 BC1 16 HIS B 324 ? HIS B 406 . ? 1_555 ? 54 BC1 16 HIS B 435 ? HIS B 517 . ? 1_555 ? 55 BC1 16 ZN T . ? ZN B 1006 . ? 1_555 ? 56 BC1 16 ZN U . ? ZN B 1007 . ? 1_555 ? 57 BC1 16 HOH X . ? HOH B 1149 . ? 1_555 ? 58 BC2 5 ASP B 118 ? ASP B 200 . ? 1_555 ? 59 BC2 5 THR B 156 ? THR B 238 . ? 1_555 ? 60 BC2 5 ASP B 323 ? ASP B 405 . ? 1_555 ? 61 BC2 5 HIS B 324 ? HIS B 406 . ? 1_555 ? 62 BC2 5 AMP S . ? AMP B 1005 . ? 1_555 ? 63 BC3 4 ASP B 276 ? ASP B 358 . ? 1_555 ? 64 BC3 4 HIS B 280 ? HIS B 362 . ? 1_555 ? 65 BC3 4 HIS B 435 ? HIS B 517 . ? 1_555 ? 66 BC3 4 AMP S . ? AMP B 1005 . ? 1_555 ? 67 BC4 6 ASP B 698 ? ASP B 780 . ? 1_555 ? 68 BC4 6 ASP B 700 ? ASP B 782 . ? 1_555 ? 69 BC4 6 ASP B 702 ? ASP B 784 . ? 1_555 ? 70 BC4 6 ARG B 704 ? ARG B 786 . ? 1_555 ? 71 BC4 6 TYR B 705 ? TYR B 787 . ? 1_555 ? 72 BC4 6 ASP B 706 ? ASP B 788 . ? 1_555 ? 73 BC5 11 LEU A 167 ? LEU A 249 . ? 1_555 ? 74 BC5 11 SER A 171 ? SER A 253 . ? 1_555 ? 75 BC5 11 PRO A 483 ? PRO A 565 . ? 1_555 ? 76 BC5 11 ASN A 485 ? ASN A 567 . ? 1_555 ? 77 BC5 11 ASP A 702 ? ASP A 784 . ? 1_555 ? 78 BC5 11 ARG A 704 ? ARG A 786 . ? 1_555 ? 79 BC5 11 LEU A 792 ? LEU A 874 . ? 1_555 ? 80 BC5 11 MAN H . ? MAN A 1006 . ? 1_555 ? 81 BC5 11 HOH W . ? HOH A 1154 . ? 1_555 ? 82 BC5 11 HOH W . ? HOH A 1157 . ? 1_555 ? 83 BC5 11 SER B 720 ? SER B 802 . ? 2_555 ? 84 BC6 6 LEU B 167 ? LEU B 249 . ? 1_555 ? 85 BC6 6 PRO B 483 ? PRO B 565 . ? 1_555 ? 86 BC6 6 ASN B 485 ? ASN B 567 . ? 1_555 ? 87 BC6 6 ASP B 702 ? ASP B 784 . ? 1_555 ? 88 BC6 6 ARG B 704 ? ARG B 786 . ? 1_555 ? 89 BC6 6 LEU B 792 ? LEU B 874 . ? 1_555 ? # _atom_sites.entry_id 4GTW _atom_sites.fract_transf_matrix[1][1] 0.009498 _atom_sites.fract_transf_matrix[1][2] 0.005484 _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] 0.010968 _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] 0.005758 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C CA N O P S SE ZN # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS A 1 88 ? 26.475 -10.281 17.668 1.00 55.41 ? 170 LYS A N 1 ATOM 2 C CA . LYS A 1 88 ? 27.373 -9.133 17.702 1.00 53.55 ? 170 LYS A CA 1 ATOM 3 C C . LYS A 1 88 ? 26.698 -7.917 18.330 1.00 55.44 ? 170 LYS A C 1 ATOM 4 O O . LYS A 1 88 ? 25.584 -7.552 17.956 1.00 48.71 ? 170 LYS A O 1 ATOM 5 C CB . LYS A 1 88 ? 27.862 -8.793 16.292 1.00 35.33 ? 170 LYS A CB 1 ATOM 6 N N . SER A 1 89 ? 27.383 -7.296 19.284 1.00 51.78 ? 171 SER A N 1 ATOM 7 C CA . SER A 1 89 ? 26.869 -6.108 19.956 1.00 51.97 ? 171 SER A CA 1 ATOM 8 C C . SER A 1 89 ? 26.885 -4.922 18.996 1.00 48.52 ? 171 SER A C 1 ATOM 9 O O . SER A 1 89 ? 27.520 -4.977 17.942 1.00 49.93 ? 171 SER A O 1 ATOM 10 C CB . SER A 1 89 ? 27.683 -5.790 21.210 1.00 53.49 ? 171 SER A CB 1 ATOM 11 O OG . SER A 1 89 ? 29.004 -5.410 20.881 1.00 54.71 ? 171 SER A OG 1 ATOM 12 N N . TRP A 1 90 ? 26.183 -3.855 19.363 1.00 43.45 ? 172 TRP A N 1 ATOM 13 C CA . TRP A 1 90 ? 26.092 -2.671 18.517 1.00 34.53 ? 172 TRP A CA 1 ATOM 14 C C . TRP A 1 90 ? 27.452 -2.017 18.297 1.00 34.88 ? 172 TRP A C 1 ATOM 15 O O . TRP A 1 90 ? 27.740 -1.532 17.203 1.00 26.56 ? 172 TRP A O 1 ATOM 16 C CB . TRP A 1 90 ? 25.120 -1.651 19.119 1.00 25.70 ? 172 TRP A CB 1 ATOM 17 C CG . TRP A 1 90 ? 24.968 -0.411 18.295 1.00 35.29 ? 172 TRP A CG 1 ATOM 18 C CD1 . TRP A 1 90 ? 24.076 -0.202 17.284 1.00 42.75 ? 172 TRP A CD1 1 ATOM 19 C CD2 . TRP A 1 90 ? 25.732 0.795 18.413 1.00 31.96 ? 172 TRP A CD2 1 ATOM 20 N NE1 . TRP A 1 90 ? 24.239 1.059 16.763 1.00 40.35 ? 172 TRP A NE1 1 ATOM 21 C CE2 . TRP A 1 90 ? 25.250 1.691 17.439 1.00 33.29 ? 172 TRP A CE2 1 ATOM 22 C CE3 . TRP A 1 90 ? 26.778 1.202 19.246 1.00 31.69 ? 172 TRP A CE3 1 ATOM 23 C CZ2 . TRP A 1 90 ? 25.777 2.970 17.276 1.00 32.43 ? 172 TRP A CZ2 1 ATOM 24 C CZ3 . TRP A 1 90 ? 27.299 2.473 19.084 1.00 39.71 ? 172 TRP A CZ3 1 ATOM 25 C CH2 . TRP A 1 90 ? 26.798 3.340 18.106 1.00 35.76 ? 172 TRP A CH2 1 ATOM 26 N N . VAL A 1 91 ? 28.283 -1.993 19.332 1.00 40.40 ? 173 VAL A N 1 ATOM 27 C CA . VAL A 1 91 ? 29.601 -1.383 19.211 1.00 39.53 ? 173 VAL A CA 1 ATOM 28 C C . VAL A 1 91 ? 30.509 -2.209 18.294 1.00 40.58 ? 173 VAL A C 1 ATOM 29 O O . VAL A 1 91 ? 31.419 -1.671 17.663 1.00 48.78 ? 173 VAL A O 1 ATOM 30 C CB . VAL A 1 91 ? 30.253 -1.187 20.603 1.00 38.50 ? 173 VAL A CB 1 ATOM 31 C CG1 . VAL A 1 91 ? 30.473 -2.528 21.291 1.00 43.97 ? 173 VAL A CG1 1 ATOM 32 C CG2 . VAL A 1 91 ? 31.559 -0.410 20.492 1.00 32.01 ? 173 VAL A CG2 1 ATOM 33 N N . GLU A 1 92 ? 30.249 -3.512 18.205 1.00 34.63 ? 174 GLU A N 1 ATOM 34 C CA . GLU A 1 92 ? 31.067 -4.390 17.371 1.00 41.91 ? 174 GLU A CA 1 ATOM 35 C C . GLU A 1 92 ? 30.712 -4.297 15.888 1.00 46.77 ? 174 GLU A C 1 ATOM 36 O O . GLU A 1 92 ? 31.530 -4.621 15.027 1.00 44.91 ? 174 GLU A O 1 ATOM 37 C CB . GLU A 1 92 ? 30.946 -5.839 17.848 1.00 47.80 ? 174 GLU A CB 1 ATOM 38 C CG . GLU A 1 92 ? 31.543 -6.090 19.224 1.00 51.41 ? 174 GLU A CG 1 ATOM 39 C CD . GLU A 1 92 ? 31.373 -7.525 19.680 1.00 54.18 ? 174 GLU A CD 1 ATOM 40 O OE1 . GLU A 1 92 ? 30.612 -8.272 19.028 1.00 37.10 ? 174 GLU A OE1 1 ATOM 41 O OE2 . GLU A 1 92 ? 31.999 -7.907 20.692 1.00 67.13 ? 174 GLU A OE2 1 ATOM 42 N N . GLU A 1 93 ? 29.492 -3.854 15.596 1.00 46.12 ? 175 GLU A N 1 ATOM 43 C CA . GLU A 1 93 ? 29.050 -3.692 14.213 1.00 30.51 ? 175 GLU A CA 1 ATOM 44 C C . GLU A 1 93 ? 29.576 -2.400 13.604 1.00 31.07 ? 175 GLU A C 1 ATOM 45 O O . GLU A 1 93 ? 29.864 -1.437 14.312 1.00 35.07 ? 175 GLU A O 1 ATOM 46 C CB . GLU A 1 93 ? 27.525 -3.732 14.120 1.00 28.20 ? 175 GLU A CB 1 ATOM 47 C CG . GLU A 1 93 ? 26.922 -5.096 14.398 1.00 51.77 ? 175 GLU A CG 1 ATOM 48 C CD . GLU A 1 93 ? 25.419 -5.117 14.201 1.00 73.81 ? 175 GLU A CD 1 ATOM 49 O OE1 . GLU A 1 93 ? 24.783 -4.050 14.331 1.00 78.66 ? 175 GLU A OE1 1 ATOM 50 O OE2 . GLU A 1 93 ? 24.874 -6.203 13.909 1.00 82.16 ? 175 GLU A OE2 1 ATOM 51 N N . THR A 1 94 ? 29.699 -2.390 12.282 1.00 30.24 ? 176 THR A N 1 ATOM 52 C CA . THR A 1 94 ? 30.197 -1.223 11.569 1.00 36.58 ? 176 THR A CA 1 ATOM 53 C C . THR A 1 94 ? 29.082 -0.210 11.343 1.00 37.43 ? 176 THR A C 1 ATOM 54 O O . THR A 1 94 ? 27.950 -0.407 11.784 1.00 42.70 ? 176 THR A O 1 ATOM 55 C CB . THR A 1 94 ? 30.812 -1.612 10.215 1.00 47.16 ? 176 THR A CB 1 ATOM 56 O OG1 . THR A 1 94 ? 31.339 -0.444 9.572 1.00 53.72 ? 176 THR A OG1 1 ATOM 57 C CG2 . THR A 1 94 ? 29.764 -2.250 9.318 1.00 51.73 ? 176 THR A CG2 1 ATOM 58 N N . CYS A 1 95 ? 29.416 0.872 10.651 1.00 36.85 ? 177 CYS A N 1 ATOM 59 C CA . CYS A 1 95 ? 28.463 1.931 10.344 1.00 28.66 ? 177 CYS A CA 1 ATOM 60 C C . CYS A 1 95 ? 27.444 1.496 9.299 1.00 31.05 ? 177 CYS A C 1 ATOM 61 O O . CYS A 1 95 ? 27.782 0.818 8.329 1.00 31.92 ? 177 CYS A O 1 ATOM 62 C CB . CYS A 1 95 ? 29.194 3.177 9.843 1.00 17.53 ? 177 CYS A CB 1 ATOM 63 S SG . CYS A 1 95 ? 30.424 3.829 10.994 1.00 84.35 ? 177 CYS A SG 1 ATOM 64 N N . GLU A 1 96 ? 26.193 1.896 9.503 1.00 31.30 ? 178 GLU A N 1 ATOM 65 C CA . GLU A 1 96 ? 25.136 1.620 8.539 1.00 41.23 ? 178 GLU A CA 1 ATOM 66 C C . GLU A 1 96 ? 24.347 2.887 8.248 1.00 43.37 ? 178 GLU A C 1 ATOM 67 O O . GLU A 1 96 ? 23.856 3.550 9.163 1.00 47.45 ? 178 GLU A O 1 ATOM 68 C CB . GLU A 1 96 ? 24.206 0.507 9.037 1.00 47.14 ? 178 GLU A CB 1 ATOM 69 C CG . GLU A 1 96 ? 24.836 -0.874 9.120 1.00 61.67 ? 178 GLU A CG 1 ATOM 70 C CD . GLU A 1 96 ? 23.819 -1.954 9.437 1.00 72.47 ? 178 GLU A CD 1 ATOM 71 O OE1 . GLU A 1 96 ? 22.638 -1.609 9.653 1.00 76.02 ? 178 GLU A OE1 1 ATOM 72 O OE2 . GLU A 1 96 ? 24.201 -3.143 9.477 1.00 71.58 ? 178 GLU A OE2 1 ATOM 73 N N . SER A 1 97 ? 24.229 3.220 6.967 1.00 41.98 ? 179 SER A N 1 ATOM 74 C CA . SER A 1 97 ? 23.533 4.432 6.559 1.00 43.05 ? 179 SER A CA 1 ATOM 75 C C . SER A 1 97 ? 22.032 4.308 6.788 1.00 37.73 ? 179 SER A C 1 ATOM 76 O O . SER A 1 97 ? 21.381 3.423 6.236 1.00 42.49 ? 179 SER A O 1 ATOM 77 C CB . SER A 1 97 ? 23.818 4.750 5.088 1.00 46.01 ? 179 SER A CB 1 ATOM 78 O OG . SER A 1 97 ? 23.314 3.732 4.242 1.00 55.06 ? 179 SER A OG 1 ATOM 79 N N . ILE A 1 98 ? 21.484 5.200 7.603 1.00 33.37 ? 180 ILE A N 1 ATOM 80 C CA . ILE A 1 98 ? 20.054 5.194 7.855 1.00 32.08 ? 180 ILE A CA 1 ATOM 81 C C . ILE A 1 98 ? 19.406 6.357 7.110 1.00 35.54 ? 180 ILE A C 1 ATOM 82 O O . ILE A 1 98 ? 18.972 7.335 7.719 1.00 39.27 ? 180 ILE A O 1 ATOM 83 C CB . ILE A 1 98 ? 19.747 5.301 9.360 1.00 30.53 ? 180 ILE A CB 1 ATOM 84 C CG1 . ILE A 1 98 ? 20.732 4.451 10.167 1.00 28.31 ? 180 ILE A CG1 1 ATOM 85 C CG2 . ILE A 1 98 ? 18.307 4.892 9.642 1.00 27.04 ? 180 ILE A CG2 1 ATOM 86 C CD1 . ILE A 1 98 ? 20.500 4.507 11.659 1.00 17.39 ? 180 ILE A CD1 1 ATOM 87 N N . ASP A 1 99 ? 19.347 6.241 5.787 1.00 31.64 ? 181 ASP A N 1 ATOM 88 C CA . ASP A 1 99 ? 18.761 7.279 4.947 1.00 35.82 ? 181 ASP A CA 1 ATOM 89 C C . ASP A 1 99 ? 17.262 7.360 5.184 1.00 42.83 ? 181 ASP A C 1 ATOM 90 O O . ASP A 1 99 ? 16.683 8.446 5.220 1.00 40.61 ? 181 ASP A O 1 ATOM 91 C CB . ASP A 1 99 ? 19.052 7.002 3.473 1.00 41.79 ? 181 ASP A CB 1 ATOM 92 C CG . ASP A 1 99 ? 20.533 6.861 3.189 1.00 61.39 ? 181 ASP A CG 1 ATOM 93 O OD1 . ASP A 1 99 ? 21.340 7.498 3.901 1.00 61.00 ? 181 ASP A OD1 1 ATOM 94 O OD2 . ASP A 1 99 ? 20.893 6.115 2.254 1.00 74.51 ? 181 ASP A OD2 1 ATOM 95 N N . THR A 1 100 ? 16.641 6.197 5.344 1.00 53.31 ? 182 THR A N 1 ATOM 96 C CA . THR A 1 100 ? 15.218 6.114 5.641 1.00 55.87 ? 182 THR A CA 1 ATOM 97 C C . THR A 1 100 ? 15.016 5.350 6.945 1.00 50.77 ? 182 THR A C 1 ATOM 98 O O . THR A 1 100 ? 15.542 4.248 7.108 1.00 48.19 ? 182 THR A O 1 ATOM 99 C CB . THR A 1 100 ? 14.452 5.408 4.502 1.00 65.18 ? 182 THR A CB 1 ATOM 100 O OG1 . THR A 1 100 ? 14.739 6.055 3.256 1.00 64.16 ? 182 THR A OG1 1 ATOM 101 C CG2 . THR A 1 100 ? 12.952 5.441 4.751 1.00 71.71 ? 182 THR A CG2 1 ATOM 102 N N . PRO A 1 101 ? 14.257 5.940 7.883 1.00 47.76 ? 183 PRO A N 1 ATOM 103 C CA . PRO A 1 101 ? 14.020 5.326 9.195 1.00 41.98 ? 183 PRO A CA 1 ATOM 104 C C . PRO A 1 101 ? 13.328 3.970 9.100 1.00 46.94 ? 183 PRO A C 1 ATOM 105 O O . PRO A 1 101 ? 12.250 3.861 8.515 1.00 49.54 ? 183 PRO A O 1 ATOM 106 C CB . PRO A 1 101 ? 13.111 6.339 9.901 1.00 43.58 ? 183 PRO A CB 1 ATOM 107 C CG . PRO A 1 101 ? 12.513 7.158 8.801 1.00 53.77 ? 183 PRO A CG 1 ATOM 108 C CD . PRO A 1 101 ? 13.576 7.239 7.754 1.00 53.96 ? 183 PRO A CD 1 ATOM 109 N N . GLU A 1 102 ? 13.956 2.951 9.678 1.00 55.50 ? 184 GLU A N 1 ATOM 110 C CA . GLU A 1 102 ? 13.380 1.612 9.732 1.00 54.43 ? 184 GLU A CA 1 ATOM 111 C C . GLU A 1 102 ? 12.675 1.390 11.062 1.00 60.53 ? 184 GLU A C 1 ATOM 112 O O . GLU A 1 102 ? 13.274 0.869 12.003 1.00 53.53 ? 184 GLU A O 1 ATOM 113 C CB . GLU A 1 102 ? 14.469 0.557 9.538 1.00 38.62 ? 184 GLU A CB 1 ATOM 114 N N . CYS A 1 103 ? 11.408 1.780 11.152 1.00 69.03 ? 185 CYS A N 1 ATOM 115 C CA . CYS A 1 103 ? 10.706 1.654 12.420 1.00 71.79 ? 185 CYS A CA 1 ATOM 116 C C . CYS A 1 103 ? 9.783 0.441 12.446 1.00 73.40 ? 185 CYS A C 1 ATOM 117 O O . CYS A 1 103 ? 9.112 0.141 11.458 1.00 84.51 ? 185 CYS A O 1 ATOM 118 C CB . CYS A 1 103 ? 9.897 2.921 12.711 1.00 73.09 ? 185 CYS A CB 1 ATOM 119 S SG . CYS A 1 103 ? 10.860 4.449 12.772 1.00 60.55 ? 185 CYS A SG 1 ATOM 120 N N . PRO A 1 104 ? 9.750 -0.262 13.588 1.00 64.62 ? 186 PRO A N 1 ATOM 121 C CA . PRO A 1 104 ? 8.850 -1.386 13.866 1.00 64.94 ? 186 PRO A CA 1 ATOM 122 C C . PRO A 1 104 ? 7.399 -0.939 13.818 1.00 77.98 ? 186 PRO A C 1 ATOM 123 O O . PRO A 1 104 ? 7.137 0.266 13.811 1.00 82.19 ? 186 PRO A O 1 ATOM 124 C CB . PRO A 1 104 ? 9.221 -1.792 15.295 1.00 53.85 ? 186 PRO A CB 1 ATOM 125 C CG . PRO A 1 104 ? 10.599 -1.304 15.482 1.00 58.76 ? 186 PRO A CG 1 ATOM 126 C CD . PRO A 1 104 ? 10.686 -0.031 14.701 1.00 61.00 ? 186 PRO A CD 1 ATOM 127 N N . ALA A 1 105 ? 6.470 -1.887 13.766 1.00 85.53 ? 187 ALA A N 1 ATOM 128 C CA . ALA A 1 105 ? 5.057 -1.540 13.748 1.00 87.92 ? 187 ALA A CA 1 ATOM 129 C C . ALA A 1 105 ? 4.723 -0.797 15.043 1.00 91.26 ? 187 ALA A C 1 ATOM 130 O O . ALA A 1 105 ? 5.490 -0.862 16.008 1.00 99.04 ? 187 ALA A O 1 ATOM 131 C CB . ALA A 1 105 ? 4.180 -2.770 13.562 1.00 87.72 ? 187 ALA A CB 1 ATOM 132 N N . GLU A 1 106 ? 3.600 -0.082 15.038 1.00 84.21 ? 188 GLU A N 1 ATOM 133 C CA . GLU A 1 106 ? 3.137 0.753 16.156 1.00 86.45 ? 188 GLU A CA 1 ATOM 134 C C . GLU A 1 106 ? 3.932 2.059 16.272 1.00 86.80 ? 188 GLU A C 1 ATOM 135 O O . GLU A 1 106 ? 3.616 2.907 17.106 1.00 91.65 ? 188 GLU A O 1 ATOM 136 C CB . GLU A 1 106 ? 3.165 -0.016 17.483 1.00 84.64 ? 188 GLU A CB 1 ATOM 137 N N . PHE A 1 107 ? 4.964 2.216 15.446 1.00 85.39 ? 189 PHE A N 1 ATOM 138 C CA . PHE A 1 107 ? 5.729 3.460 15.421 1.00 84.59 ? 189 PHE A CA 1 ATOM 139 C C . PHE A 1 107 ? 5.466 4.171 14.105 1.00 83.54 ? 189 PHE A C 1 ATOM 140 O O . PHE A 1 107 ? 5.622 3.586 13.032 1.00 88.09 ? 189 PHE A O 1 ATOM 141 C CB . PHE A 1 107 ? 7.231 3.200 15.582 1.00 77.29 ? 189 PHE A CB 1 ATOM 142 C CG . PHE A 1 107 ? 7.671 2.966 17.001 1.00 72.47 ? 189 PHE A CG 1 ATOM 143 C CD1 . PHE A 1 107 ? 7.787 1.687 17.515 1.00 74.07 ? 189 PHE A CD1 1 ATOM 144 C CD2 . PHE A 1 107 ? 8.002 4.042 17.811 1.00 68.93 ? 189 PHE A CD2 1 ATOM 145 C CE1 . PHE A 1 107 ? 8.206 1.488 18.819 1.00 74.36 ? 189 PHE A CE1 1 ATOM 146 C CE2 . PHE A 1 107 ? 8.420 3.850 19.111 1.00 69.93 ? 189 PHE A CE2 1 ATOM 147 C CZ . PHE A 1 107 ? 8.523 2.572 19.617 1.00 72.23 ? 189 PHE A CZ 1 ATOM 148 N N . GLU A 1 108 ? 5.062 5.432 14.192 1.00 73.53 ? 190 GLU A N 1 ATOM 149 C CA . GLU A 1 108 ? 4.775 6.220 13.004 1.00 75.34 ? 190 GLU A CA 1 ATOM 150 C C . GLU A 1 108 ? 5.985 7.078 12.651 1.00 67.14 ? 190 GLU A C 1 ATOM 151 O O . GLU A 1 108 ? 6.255 7.346 11.481 1.00 67.12 ? 190 GLU A O 1 ATOM 152 C CB . GLU A 1 108 ? 3.533 7.086 13.213 1.00 86.18 ? 190 GLU A CB 1 ATOM 153 C CG . GLU A 1 108 ? 3.006 7.743 11.949 1.00 91.87 ? 190 GLU A CG 1 ATOM 154 C CD . GLU A 1 108 ? 1.766 8.574 12.204 1.00 98.98 ? 190 GLU A CD 1 ATOM 155 O OE1 . GLU A 1 108 ? 1.447 8.816 13.386 1.00 104.32 ? 190 GLU A OE1 1 ATOM 156 O OE2 . GLU A 1 108 ? 1.108 8.981 11.223 1.00 98.31 ? 190 GLU A OE2 1 ATOM 157 N N . SER A 1 109 ? 6.708 7.498 13.684 1.00 60.84 ? 191 SER A N 1 ATOM 158 C CA . SER A 1 109 ? 7.901 8.318 13.523 1.00 55.26 ? 191 SER A CA 1 ATOM 159 C C . SER A 1 109 ? 8.900 8.074 14.657 1.00 57.54 ? 191 SER A C 1 ATOM 160 O O . SER A 1 109 ? 8.500 7.814 15.792 1.00 66.55 ? 191 SER A O 1 ATOM 161 C CB . SER A 1 109 ? 7.519 9.799 13.460 1.00 55.50 ? 191 SER A CB 1 ATOM 162 O OG . SER A 1 109 ? 6.802 10.189 14.619 1.00 64.35 ? 191 SER A OG 1 ATOM 163 N N . PRO A 1 110 ? 10.205 8.153 14.349 1.00 53.60 ? 192 PRO A N 1 ATOM 164 C CA . PRO A 1 110 ? 11.295 7.923 15.307 1.00 48.55 ? 192 PRO A CA 1 ATOM 165 C C . PRO A 1 110 ? 11.252 8.885 16.493 1.00 53.87 ? 192 PRO A C 1 ATOM 166 O O . PRO A 1 110 ? 11.197 10.099 16.291 1.00 60.06 ? 192 PRO A O 1 ATOM 167 C CB . PRO A 1 110 ? 12.552 8.190 14.474 1.00 42.04 ? 192 PRO A CB 1 ATOM 168 C CG . PRO A 1 110 ? 12.136 7.960 13.073 1.00 51.41 ? 192 PRO A CG 1 ATOM 169 C CD . PRO A 1 110 ? 10.719 8.427 12.996 1.00 55.45 ? 192 PRO A CD 1 ATOM 170 N N . PRO A 1 111 ? 11.275 8.348 17.723 1.00 49.45 ? 193 PRO A N 1 ATOM 171 C CA . PRO A 1 111 ? 11.314 9.172 18.937 1.00 47.85 ? 193 PRO A CA 1 ATOM 172 C C . PRO A 1 111 ? 12.656 9.885 19.086 1.00 47.57 ? 193 PRO A C 1 ATOM 173 O O . PRO A 1 111 ? 13.595 9.589 18.347 1.00 52.22 ? 193 PRO A O 1 ATOM 174 C CB . PRO A 1 111 ? 11.149 8.143 20.063 1.00 48.00 ? 193 PRO A CB 1 ATOM 175 C CG . PRO A 1 111 ? 10.577 6.925 19.407 1.00 55.34 ? 193 PRO A CG 1 ATOM 176 C CD . PRO A 1 111 ? 11.162 6.914 18.034 1.00 54.83 ? 193 PRO A CD 1 ATOM 177 N N . THR A 1 112 ? 12.741 10.813 20.034 1.00 43.44 ? 194 THR A N 1 ATOM 178 C CA . THR A 1 112 ? 13.974 11.560 20.272 1.00 41.55 ? 194 THR A CA 1 ATOM 179 C C . THR A 1 112 ? 14.423 11.476 21.730 1.00 33.59 ? 194 THR A C 1 ATOM 180 O O . THR A 1 112 ? 13.720 11.930 22.632 1.00 34.80 ? 194 THR A O 1 ATOM 181 C CB . THR A 1 112 ? 13.816 13.039 19.876 1.00 44.74 ? 194 THR A CB 1 ATOM 182 O OG1 . THR A 1 112 ? 13.478 13.130 18.485 1.00 47.85 ? 194 THR A OG1 1 ATOM 183 C CG2 . THR A 1 112 ? 15.110 13.797 20.130 1.00 42.55 ? 194 THR A CG2 1 ATOM 184 N N . LEU A 1 113 ? 15.597 10.895 21.952 1.00 28.02 ? 195 LEU A N 1 ATOM 185 C CA . LEU A 1 113 ? 16.152 10.760 23.295 1.00 29.54 ? 195 LEU A CA 1 ATOM 186 C C . LEU A 1 113 ? 17.288 11.750 23.560 1.00 29.74 ? 195 LEU A C 1 ATOM 187 O O . LEU A 1 113 ? 18.230 11.852 22.774 1.00 35.14 ? 195 LEU A O 1 ATOM 188 C CB . LEU A 1 113 ? 16.646 9.329 23.523 1.00 29.29 ? 195 LEU A CB 1 ATOM 189 C CG . LEU A 1 113 ? 17.533 9.079 24.747 1.00 33.07 ? 195 LEU A CG 1 ATOM 190 C CD1 . LEU A 1 113 ? 16.823 9.463 26.040 1.00 38.81 ? 195 LEU A CD1 1 ATOM 191 C CD2 . LEU A 1 113 ? 17.980 7.628 24.795 1.00 26.07 ? 195 LEU A CD2 1 ATOM 192 N N . LEU A 1 114 ? 17.187 12.477 24.669 1.00 32.69 ? 196 LEU A N 1 ATOM 193 C CA . LEU A 1 114 ? 18.233 13.407 25.083 1.00 37.07 ? 196 LEU A CA 1 ATOM 194 C C . LEU A 1 114 ? 19.062 12.829 26.223 1.00 43.08 ? 196 LEU A C 1 ATOM 195 O O . LEU A 1 114 ? 18.661 12.853 27.385 1.00 40.87 ? 196 LEU A O 1 ATOM 196 C CB . LEU A 1 114 ? 17.623 14.747 25.494 1.00 44.12 ? 196 LEU A CB 1 ATOM 197 C CG . LEU A 1 114 ? 18.614 15.796 26.009 1.00 44.53 ? 196 LEU A CG 1 ATOM 198 C CD1 . LEU A 1 114 ? 19.777 16.003 25.047 1.00 35.92 ? 196 LEU A CD1 1 ATOM 199 C CD2 . LEU A 1 114 ? 17.890 17.109 26.275 1.00 38.48 ? 196 LEU A CD2 1 ATOM 200 N N . PHE A 1 115 ? 20.233 12.315 25.863 1.00 42.83 ? 197 PHE A N 1 ATOM 201 C CA . PHE A 1 115 ? 21.132 11.671 26.809 1.00 33.92 ? 197 PHE A CA 1 ATOM 202 C C . PHE A 1 115 ? 22.201 12.670 27.248 1.00 39.81 ? 197 PHE A C 1 ATOM 203 O O . PHE A 1 115 ? 22.987 13.154 26.432 1.00 44.44 ? 197 PHE A O 1 ATOM 204 C CB . PHE A 1 115 ? 21.767 10.443 26.153 1.00 27.31 ? 197 PHE A CB 1 ATOM 205 C CG . PHE A 1 115 ? 22.263 9.413 27.129 1.00 24.76 ? 197 PHE A CG 1 ATOM 206 C CD1 . PHE A 1 115 ? 22.566 9.752 28.436 1.00 26.14 ? 197 PHE A CD1 1 ATOM 207 C CD2 . PHE A 1 115 ? 22.410 8.095 26.735 1.00 21.05 ? 197 PHE A CD2 1 ATOM 208 C CE1 . PHE A 1 115 ? 23.017 8.800 29.324 1.00 24.10 ? 197 PHE A CE1 1 ATOM 209 C CE2 . PHE A 1 115 ? 22.858 7.139 27.620 1.00 26.09 ? 197 PHE A CE2 1 ATOM 210 C CZ . PHE A 1 115 ? 23.162 7.492 28.917 1.00 25.12 ? 197 PHE A CZ 1 ATOM 211 N N . SER A 1 116 ? 22.229 12.974 28.542 1.00 17.87 ? 198 SER A N 1 ATOM 212 C CA . SER A 1 116 ? 23.188 13.937 29.070 1.00 26.81 ? 198 SER A CA 1 ATOM 213 C C . SER A 1 116 ? 24.262 13.282 29.928 1.00 31.97 ? 198 SER A C 1 ATOM 214 O O . SER A 1 116 ? 23.981 12.401 30.742 1.00 31.32 ? 198 SER A O 1 ATOM 215 C CB . SER A 1 116 ? 22.482 15.024 29.880 1.00 26.72 ? 198 SER A CB 1 ATOM 216 O OG . SER A 1 116 ? 23.418 15.920 30.455 1.00 19.88 ? 198 SER A OG 1 ATOM 217 N N . LEU A 1 117 ? 25.499 13.729 29.737 1.00 30.48 ? 199 LEU A N 1 ATOM 218 C CA . LEU A 1 117 ? 26.616 13.262 30.539 1.00 24.22 ? 199 LEU A CA 1 ATOM 219 C C . LEU A 1 117 ? 27.257 14.460 31.222 1.00 33.93 ? 199 LEU A C 1 ATOM 220 O O . LEU A 1 117 ? 28.079 15.151 30.627 1.00 42.99 ? 199 LEU A O 1 ATOM 221 C CB . LEU A 1 117 ? 27.644 12.560 29.653 1.00 21.39 ? 199 LEU A CB 1 ATOM 222 C CG . LEU A 1 117 ? 27.065 11.568 28.643 1.00 27.57 ? 199 LEU A CG 1 ATOM 223 C CD1 . LEU A 1 117 ? 28.162 10.966 27.779 1.00 18.48 ? 199 LEU A CD1 1 ATOM 224 C CD2 . LEU A 1 117 ? 26.261 10.483 29.346 1.00 17.09 ? 199 LEU A CD2 1 ATOM 225 N N . ASP A 1 118 ? 26.875 14.699 32.472 1.00 37.88 ? 200 ASP A N 1 ATOM 226 C CA . ASP A 1 118 ? 27.309 15.892 33.194 1.00 38.68 ? 200 ASP A CA 1 ATOM 227 C C . ASP A 1 118 ? 28.830 15.960 33.307 1.00 36.91 ? 200 ASP A C 1 ATOM 228 O O . ASP A 1 118 ? 29.474 14.970 33.645 1.00 35.98 ? 200 ASP A O 1 ATOM 229 C CB . ASP A 1 118 ? 26.667 15.939 34.586 1.00 37.62 ? 200 ASP A CB 1 ATOM 230 C CG . ASP A 1 118 ? 26.704 17.327 35.204 1.00 41.97 ? 200 ASP A CG 1 ATOM 231 O OD1 . ASP A 1 118 ? 27.706 18.048 35.020 1.00 45.90 ? 200 ASP A OD1 1 ATOM 232 O OD2 . ASP A 1 118 ? 25.717 17.701 35.872 1.00 41.77 ? 200 ASP A OD2 1 ATOM 233 N N . GLY A 1 119 ? 29.398 17.129 33.026 1.00 34.56 ? 201 GLY A N 1 ATOM 234 C CA . GLY A 1 119 ? 30.824 17.340 33.202 1.00 37.10 ? 201 GLY A CA 1 ATOM 235 C C . GLY A 1 119 ? 31.695 16.701 32.140 1.00 38.32 ? 201 GLY A C 1 ATOM 236 O O . GLY A 1 119 ? 32.884 16.476 32.358 1.00 51.41 ? 201 GLY A O 1 ATOM 237 N N . PHE A 1 120 ? 31.104 16.404 30.988 1.00 34.25 ? 202 PHE A N 1 ATOM 238 C CA . PHE A 1 120 ? 31.843 15.809 29.881 1.00 38.95 ? 202 PHE A CA 1 ATOM 239 C C . PHE A 1 120 ? 32.517 16.900 29.059 1.00 35.87 ? 202 PHE A C 1 ATOM 240 O O . PHE A 1 120 ? 31.936 17.425 28.108 1.00 13.79 ? 202 PHE A O 1 ATOM 241 C CB . PHE A 1 120 ? 30.912 14.991 28.986 1.00 38.09 ? 202 PHE A CB 1 ATOM 242 C CG . PHE A 1 120 ? 31.631 13.993 28.114 1.00 25.25 ? 202 PHE A CG 1 ATOM 243 C CD1 . PHE A 1 120 ? 32.408 14.412 27.044 1.00 23.37 ? 202 PHE A CD1 1 ATOM 244 C CD2 . PHE A 1 120 ? 31.531 12.635 28.367 1.00 23.06 ? 202 PHE A CD2 1 ATOM 245 C CE1 . PHE A 1 120 ? 33.068 13.498 26.245 1.00 26.60 ? 202 PHE A CE1 1 ATOM 246 C CE2 . PHE A 1 120 ? 32.188 11.715 27.570 1.00 26.37 ? 202 PHE A CE2 1 ATOM 247 C CZ . PHE A 1 120 ? 32.957 12.148 26.508 1.00 31.78 ? 202 PHE A CZ 1 ATOM 248 N N . ARG A 1 121 ? 33.744 17.243 29.442 1.00 37.92 ? 203 ARG A N 1 ATOM 249 C CA . ARG A 1 121 ? 34.503 18.264 28.735 1.00 41.52 ? 203 ARG A CA 1 ATOM 250 C C . ARG A 1 121 ? 34.817 17.809 27.313 1.00 45.80 ? 203 ARG A C 1 ATOM 251 O O . ARG A 1 121 ? 35.038 16.623 27.074 1.00 51.38 ? 203 ARG A O 1 ATOM 252 C CB . ARG A 1 121 ? 35.787 18.593 29.505 1.00 44.27 ? 203 ARG A CB 1 ATOM 253 C CG . ARG A 1 121 ? 36.785 19.472 28.782 1.00 53.38 ? 203 ARG A CG 1 ATOM 254 C CD . ARG A 1 121 ? 38.009 19.723 29.648 1.00 52.09 ? 203 ARG A CD 1 ATOM 255 N NE . ARG A 1 121 ? 38.875 18.546 29.679 1.00 40.53 ? 203 ARG A NE 1 ATOM 256 C CZ . ARG A 1 121 ? 40.076 18.508 30.248 1.00 34.59 ? 203 ARG A CZ 1 ATOM 257 N NH1 . ARG A 1 121 ? 40.566 19.585 30.846 1.00 18.27 ? 203 ARG A NH1 1 ATOM 258 N NH2 . ARG A 1 121 ? 40.788 17.389 30.221 1.00 45.10 ? 203 ARG A NH2 1 ATOM 259 N N . ALA A 1 122 ? 34.822 18.749 26.371 1.00 38.01 ? 204 ALA A N 1 ATOM 260 C CA . ALA A 1 122 ? 34.997 18.415 24.960 1.00 26.00 ? 204 ALA A CA 1 ATOM 261 C C . ALA A 1 122 ? 36.354 17.785 24.657 1.00 24.29 ? 204 ALA A C 1 ATOM 262 O O . ALA A 1 122 ? 36.480 16.975 23.740 1.00 30.46 ? 204 ALA A O 1 ATOM 263 C CB . ALA A 1 122 ? 34.783 19.647 24.100 1.00 22.58 ? 204 ALA A CB 1 ATOM 264 N N . GLU A 1 123 ? 37.363 18.163 25.438 1.00 20.44 ? 205 GLU A N 1 ATOM 265 C CA . GLU A 1 123 ? 38.718 17.650 25.260 1.00 11.90 ? 205 GLU A CA 1 ATOM 266 C C . GLU A 1 123 ? 38.809 16.147 25.534 1.00 29.60 ? 205 GLU A C 1 ATOM 267 O O . GLU A 1 123 ? 39.703 15.467 25.026 1.00 32.76 ? 205 GLU A O 1 ATOM 268 C CB . GLU A 1 123 ? 39.695 18.423 26.156 1.00 16.50 ? 205 GLU A CB 1 ATOM 269 C CG . GLU A 1 123 ? 41.162 18.035 25.995 1.00 27.28 ? 205 GLU A CG 1 ATOM 270 C CD . GLU A 1 123 ? 41.596 16.935 26.941 1.00 44.59 ? 205 GLU A CD 1 ATOM 271 O OE1 . GLU A 1 123 ? 40.837 16.627 27.884 1.00 51.24 ? 205 GLU A OE1 1 ATOM 272 O OE2 . GLU A 1 123 ? 42.698 16.381 26.742 1.00 47.82 ? 205 GLU A OE2 1 ATOM 273 N N . TYR A 1 124 ? 37.873 15.637 26.330 1.00 22.06 ? 206 TYR A N 1 ATOM 274 C CA . TYR A 1 124 ? 37.836 14.218 26.674 1.00 31.76 ? 206 TYR A CA 1 ATOM 275 C C . TYR A 1 124 ? 37.767 13.309 25.448 1.00 37.07 ? 206 TYR A C 1 ATOM 276 O O . TYR A 1 124 ? 38.571 12.388 25.305 1.00 38.92 ? 206 TYR A O 1 ATOM 277 C CB . TYR A 1 124 ? 36.653 13.918 27.601 1.00 34.58 ? 206 TYR A CB 1 ATOM 278 C CG . TYR A 1 124 ? 36.811 14.435 29.015 1.00 32.80 ? 206 TYR A CG 1 ATOM 279 C CD1 . TYR A 1 124 ? 38.066 14.671 29.558 1.00 39.42 ? 206 TYR A CD1 1 ATOM 280 C CD2 . TYR A 1 124 ? 35.697 14.684 29.808 1.00 31.93 ? 206 TYR A CD2 1 ATOM 281 C CE1 . TYR A 1 124 ? 38.207 15.144 30.852 1.00 50.65 ? 206 TYR A CE1 1 ATOM 282 C CE2 . TYR A 1 124 ? 35.828 15.155 31.101 1.00 32.52 ? 206 TYR A CE2 1 ATOM 283 C CZ . TYR A 1 124 ? 37.083 15.383 31.618 1.00 47.27 ? 206 TYR A CZ 1 ATOM 284 O OH . TYR A 1 124 ? 37.215 15.852 32.904 1.00 52.27 ? 206 TYR A OH 1 ATOM 285 N N . LEU A 1 125 ? 36.807 13.573 24.567 1.00 36.75 ? 207 LEU A N 1 ATOM 286 C CA . LEU A 1 125 ? 36.633 12.765 23.363 1.00 35.35 ? 207 LEU A CA 1 ATOM 287 C C . LEU A 1 125 ? 37.754 12.998 22.351 1.00 33.34 ? 207 LEU A C 1 ATOM 288 O O . LEU A 1 125 ? 38.105 12.102 21.582 1.00 35.04 ? 207 LEU A O 1 ATOM 289 C CB . LEU A 1 125 ? 35.270 13.034 22.723 1.00 29.20 ? 207 LEU A CB 1 ATOM 290 C CG . LEU A 1 125 ? 34.874 12.098 21.580 1.00 25.68 ? 207 LEU A CG 1 ATOM 291 C CD1 . LEU A 1 125 ? 35.019 10.645 22.008 1.00 15.17 ? 207 LEU A CD1 1 ATOM 292 C CD2 . LEU A 1 125 ? 33.453 12.383 21.123 1.00 32.56 ? 207 LEU A CD2 1 ATOM 293 N N . HIS A 1 126 ? 38.306 14.207 22.357 1.00 30.59 ? 208 HIS A N 1 ATOM 294 C CA . HIS A 1 126 ? 39.423 14.559 21.486 1.00 28.91 ? 208 HIS A CA 1 ATOM 295 C C . HIS A 1 126 ? 40.629 13.687 21.812 1.00 39.48 ? 208 HIS A C 1 ATOM 296 O O . HIS A 1 126 ? 41.289 13.147 20.924 1.00 43.37 ? 208 HIS A O 1 ATOM 297 C CB . HIS A 1 126 ? 39.818 16.028 21.663 1.00 28.58 ? 208 HIS A CB 1 ATOM 298 C CG . HIS A 1 126 ? 38.724 16.999 21.340 1.00 31.68 ? 208 HIS A CG 1 ATOM 299 N ND1 . HIS A 1 126 ? 38.850 18.355 21.552 1.00 28.38 ? 208 HIS A ND1 1 ATOM 300 C CD2 . HIS A 1 126 ? 37.488 16.812 20.821 1.00 35.84 ? 208 HIS A CD2 1 ATOM 301 C CE1 . HIS A 1 126 ? 37.737 18.962 21.180 1.00 23.22 ? 208 HIS A CE1 1 ATOM 302 N NE2 . HIS A 1 126 ? 36.895 18.048 20.733 1.00 27.48 ? 208 HIS A NE2 1 ATOM 303 N N . THR A 1 127 ? 40.895 13.560 23.106 1.00 43.71 ? 209 THR A N 1 ATOM 304 C CA . THR A 1 127 ? 42.079 12.884 23.618 1.00 37.74 ? 209 THR A CA 1 ATOM 305 C C . THR A 1 127 ? 41.867 11.393 23.877 1.00 44.97 ? 209 THR A C 1 ATOM 306 O O . THR A 1 127 ? 42.687 10.565 23.479 1.00 50.19 ? 209 THR A O 1 ATOM 307 C CB . THR A 1 127 ? 42.563 13.541 24.922 1.00 24.93 ? 209 THR A CB 1 ATOM 308 O OG1 . THR A 1 127 ? 42.781 14.940 24.700 1.00 16.55 ? 209 THR A OG1 1 ATOM 309 C CG2 . THR A 1 127 ? 43.855 12.896 25.396 1.00 28.02 ? 209 THR A CG2 1 ATOM 310 N N . TRP A 1 128 ? 40.762 11.055 24.533 1.00 47.01 ? 210 TRP A N 1 ATOM 311 C CA . TRP A 1 128 ? 40.514 9.677 24.950 1.00 47.44 ? 210 TRP A CA 1 ATOM 312 C C . TRP A 1 128 ? 39.573 8.920 24.017 1.00 51.25 ? 210 TRP A C 1 ATOM 313 O O . TRP A 1 128 ? 38.756 8.118 24.469 1.00 57.85 ? 210 TRP A O 1 ATOM 314 C CB . TRP A 1 128 ? 39.963 9.645 26.378 1.00 36.07 ? 210 TRP A CB 1 ATOM 315 C CG . TRP A 1 128 ? 40.665 10.565 27.326 1.00 30.77 ? 210 TRP A CG 1 ATOM 316 C CD1 . TRP A 1 128 ? 40.109 11.608 28.011 1.00 41.44 ? 210 TRP A CD1 1 ATOM 317 C CD2 . TRP A 1 128 ? 42.051 10.542 27.688 1.00 26.13 ? 210 TRP A CD2 1 ATOM 318 N NE1 . TRP A 1 128 ? 41.060 12.229 28.782 1.00 39.32 ? 210 TRP A NE1 1 ATOM 319 C CE2 . TRP A 1 128 ? 42.261 11.595 28.601 1.00 26.31 ? 210 TRP A CE2 1 ATOM 320 C CE3 . TRP A 1 128 ? 43.134 9.731 27.333 1.00 24.84 ? 210 TRP A CE3 1 ATOM 321 C CZ2 . TRP A 1 128 ? 43.508 11.859 29.162 1.00 22.99 ? 210 TRP A CZ2 1 ATOM 322 C CZ3 . TRP A 1 128 ? 44.372 9.996 27.892 1.00 18.31 ? 210 TRP A CZ3 1 ATOM 323 C CH2 . TRP A 1 128 ? 44.548 11.050 28.797 1.00 20.70 ? 210 TRP A CH2 1 ATOM 324 N N . GLY A 1 129 ? 39.690 9.168 22.717 1.00 40.02 ? 211 GLY A N 1 ATOM 325 C CA . GLY A 1 129 ? 38.848 8.491 21.749 1.00 38.04 ? 211 GLY A CA 1 ATOM 326 C C . GLY A 1 129 ? 39.144 7.007 21.667 1.00 31.27 ? 211 GLY A C 1 ATOM 327 O O . GLY A 1 129 ? 38.241 6.202 21.444 1.00 22.46 ? 211 GLY A O 1 ATOM 328 N N . GLY A 1 130 ? 40.410 6.638 21.836 1.00 34.76 ? 212 GLY A N 1 ATOM 329 C CA . GLY A 1 130 ? 40.801 5.244 21.745 1.00 36.90 ? 212 GLY A CA 1 ATOM 330 C C . GLY A 1 130 ? 40.349 4.437 22.949 1.00 38.57 ? 212 GLY A C 1 ATOM 331 O O . GLY A 1 130 ? 40.371 3.206 22.922 1.00 27.63 ? 212 GLY A O 1 ATOM 332 N N . LEU A 1 131 ? 39.940 5.129 24.010 1.00 42.13 ? 213 LEU A N 1 ATOM 333 C CA . LEU A 1 131 ? 39.461 4.462 25.217 1.00 32.00 ? 213 LEU A CA 1 ATOM 334 C C . LEU A 1 131 ? 37.938 4.424 25.276 1.00 35.20 ? 213 LEU A C 1 ATOM 335 O O . LEU A 1 131 ? 37.361 3.777 26.148 1.00 41.72 ? 213 LEU A O 1 ATOM 336 C CB . LEU A 1 131 ? 40.000 5.172 26.463 1.00 22.22 ? 213 LEU A CB 1 ATOM 337 C CG . LEU A 1 131 ? 41.516 5.319 26.597 1.00 29.01 ? 213 LEU A CG 1 ATOM 338 C CD1 . LEU A 1 131 ? 41.873 6.087 27.860 1.00 13.82 ? 213 LEU A CD1 1 ATOM 339 C CD2 . LEU A 1 131 ? 42.187 3.956 26.594 1.00 13.91 ? 213 LEU A CD2 1 ATOM 340 N N . LEU A 1 132 ? 37.290 5.119 24.347 1.00 32.87 ? 214 LEU A N 1 ATOM 341 C CA . LEU A 1 132 ? 35.832 5.177 24.315 1.00 34.55 ? 214 LEU A CA 1 ATOM 342 C C . LEU A 1 132 ? 35.286 4.686 22.978 1.00 42.13 ? 214 LEU A C 1 ATOM 343 O O . LEU A 1 132 ? 34.964 5.491 22.104 1.00 38.62 ? 214 LEU A O 1 ATOM 344 C CB . LEU A 1 132 ? 35.360 6.609 24.572 1.00 28.40 ? 214 LEU A CB 1 ATOM 345 C CG . LEU A 1 132 ? 35.952 7.310 25.798 1.00 22.58 ? 214 LEU A CG 1 ATOM 346 C CD1 . LEU A 1 132 ? 35.385 8.715 25.953 1.00 25.34 ? 214 LEU A CD1 1 ATOM 347 C CD2 . LEU A 1 132 ? 35.712 6.492 27.056 1.00 23.66 ? 214 LEU A CD2 1 ATOM 348 N N . PRO A 1 133 ? 35.177 3.358 22.816 1.00 42.88 ? 215 PRO A N 1 ATOM 349 C CA . PRO A 1 133 ? 34.766 2.756 21.542 1.00 42.50 ? 215 PRO A CA 1 ATOM 350 C C . PRO A 1 133 ? 33.307 3.040 21.181 1.00 41.38 ? 215 PRO A C 1 ATOM 351 O O . PRO A 1 133 ? 32.994 3.212 20.004 1.00 40.12 ? 215 PRO A O 1 ATOM 352 C CB . PRO A 1 133 ? 34.973 1.258 21.785 1.00 37.28 ? 215 PRO A CB 1 ATOM 353 C CG . PRO A 1 133 ? 34.844 1.096 23.260 1.00 35.25 ? 215 PRO A CG 1 ATOM 354 C CD . PRO A 1 133 ? 35.431 2.342 23.852 1.00 35.76 ? 215 PRO A CD 1 ATOM 355 N N . VAL A 1 134 ? 32.432 3.089 22.180 1.00 43.83 ? 216 VAL A N 1 ATOM 356 C CA . VAL A 1 134 ? 31.012 3.331 21.942 1.00 41.87 ? 216 VAL A CA 1 ATOM 357 C C . VAL A 1 134 ? 30.757 4.775 21.520 1.00 50.85 ? 216 VAL A C 1 ATOM 358 O O . VAL A 1 134 ? 30.087 5.028 20.517 1.00 48.28 ? 216 VAL A O 1 ATOM 359 C CB . VAL A 1 134 ? 30.162 3.012 23.182 1.00 36.55 ? 216 VAL A CB 1 ATOM 360 C CG1 . VAL A 1 134 ? 28.704 3.360 22.925 1.00 39.63 ? 216 VAL A CG1 1 ATOM 361 C CG2 . VAL A 1 134 ? 30.304 1.548 23.558 1.00 29.46 ? 216 VAL A CG2 1 ATOM 362 N N . ILE A 1 135 ? 31.292 5.716 22.293 1.00 56.47 ? 217 ILE A N 1 ATOM 363 C CA . ILE A 1 135 ? 31.110 7.134 22.009 1.00 50.49 ? 217 ILE A CA 1 ATOM 364 C C . ILE A 1 135 ? 31.724 7.507 20.662 1.00 44.93 ? 217 ILE A C 1 ATOM 365 O O . ILE A 1 135 ? 31.164 8.307 19.912 1.00 52.61 ? 217 ILE A O 1 ATOM 366 C CB . ILE A 1 135 ? 31.729 8.024 23.121 1.00 28.01 ? 217 ILE A CB 1 ATOM 367 C CG1 . ILE A 1 135 ? 31.223 7.616 24.510 1.00 32.74 ? 217 ILE A CG1 1 ATOM 368 C CG2 . ILE A 1 135 ? 31.481 9.503 22.837 1.00 15.66 ? 217 ILE A CG2 1 ATOM 369 C CD1 . ILE A 1 135 ? 29.759 7.863 24.737 1.00 33.85 ? 217 ILE A CD1 1 ATOM 370 N N . SER A 1 136 ? 32.873 6.914 20.356 1.00 30.27 ? 218 SER A N 1 ATOM 371 C CA . SER A 1 136 ? 33.551 7.181 19.094 1.00 28.25 ? 218 SER A CA 1 ATOM 372 C C . SER A 1 136 ? 32.756 6.716 17.877 1.00 33.59 ? 218 SER A C 1 ATOM 373 O O . SER A 1 136 ? 32.795 7.355 16.827 1.00 32.14 ? 218 SER A O 1 ATOM 374 C CB . SER A 1 136 ? 34.938 6.536 19.084 1.00 24.32 ? 218 SER A CB 1 ATOM 375 O OG . SER A 1 136 ? 35.783 7.136 20.050 1.00 18.39 ? 218 SER A OG 1 ATOM 376 N N . LYS A 1 137 ? 32.043 5.600 18.009 1.00 37.97 ? 219 LYS A N 1 ATOM 377 C CA . LYS A 1 137 ? 31.242 5.099 16.895 1.00 34.55 ? 219 LYS A CA 1 ATOM 378 C C . LYS A 1 137 ? 30.036 6.000 16.627 1.00 27.77 ? 219 LYS A C 1 ATOM 379 O O . LYS A 1 137 ? 29.671 6.227 15.473 1.00 36.44 ? 219 LYS A O 1 ATOM 380 C CB . LYS A 1 137 ? 30.777 3.662 17.137 1.00 30.03 ? 219 LYS A CB 1 ATOM 381 C CG . LYS A 1 137 ? 30.049 3.061 15.942 1.00 30.13 ? 219 LYS A CG 1 ATOM 382 C CD . LYS A 1 137 ? 29.321 1.777 16.290 1.00 32.75 ? 219 LYS A CD 1 ATOM 383 C CE . LYS A 1 137 ? 28.401 1.356 15.154 1.00 27.40 ? 219 LYS A CE 1 ATOM 384 N NZ . LYS A 1 137 ? 27.579 0.163 15.502 1.00 22.78 ? 219 LYS A NZ 1 ATOM 385 N N . LEU A 1 138 ? 29.417 6.504 17.692 1.00 14.88 ? 220 LEU A N 1 ATOM 386 C CA . LEU A 1 138 ? 28.328 7.467 17.553 1.00 13.14 ? 220 LEU A CA 1 ATOM 387 C C . LEU A 1 138 ? 28.830 8.727 16.863 1.00 17.53 ? 220 LEU A C 1 ATOM 388 O O . LEU A 1 138 ? 28.111 9.361 16.092 1.00 29.54 ? 220 LEU A O 1 ATOM 389 C CB . LEU A 1 138 ? 27.736 7.816 18.920 1.00 11.93 ? 220 LEU A CB 1 ATOM 390 C CG . LEU A 1 138 ? 26.842 6.783 19.607 1.00 15.47 ? 220 LEU A CG 1 ATOM 391 C CD1 . LEU A 1 138 ? 26.447 7.267 20.990 1.00 13.09 ? 220 LEU A CD1 1 ATOM 392 C CD2 . LEU A 1 138 ? 25.601 6.525 18.770 1.00 22.90 ? 220 LEU A CD2 1 ATOM 393 N N . LYS A 1 139 ? 30.080 9.075 17.149 1.00 17.29 ? 221 LYS A N 1 ATOM 394 C CA . LYS A 1 139 ? 30.735 10.216 16.528 1.00 16.98 ? 221 LYS A CA 1 ATOM 395 C C . LYS A 1 139 ? 30.998 9.944 15.052 1.00 22.66 ? 221 LYS A C 1 ATOM 396 O O . LYS A 1 139 ? 30.695 10.773 14.194 1.00 35.82 ? 221 LYS A O 1 ATOM 397 C CB . LYS A 1 139 ? 32.055 10.516 17.238 1.00 10.01 ? 221 LYS A CB 1 ATOM 398 C CG . LYS A 1 139 ? 32.940 11.538 16.551 1.00 22.65 ? 221 LYS A CG 1 ATOM 399 C CD . LYS A 1 139 ? 34.400 11.297 16.901 1.00 17.98 ? 221 LYS A CD 1 ATOM 400 C CE . LYS A 1 139 ? 35.316 12.244 16.148 1.00 33.44 ? 221 LYS A CE 1 ATOM 401 N NZ . LYS A 1 139 ? 35.264 12.006 14.678 1.00 48.66 ? 221 LYS A NZ 1 ATOM 402 N N . ASN A 1 140 ? 31.563 8.775 14.766 1.00 22.35 ? 222 ASN A N 1 ATOM 403 C CA . ASN A 1 140 ? 31.961 8.418 13.407 1.00 27.81 ? 222 ASN A CA 1 ATOM 404 C C . ASN A 1 140 ? 30.786 8.104 12.481 1.00 34.56 ? 222 ASN A C 1 ATOM 405 O O . ASN A 1 140 ? 30.922 8.155 11.258 1.00 41.51 ? 222 ASN A O 1 ATOM 406 C CB . ASN A 1 140 ? 32.942 7.243 13.424 1.00 34.22 ? 222 ASN A CB 1 ATOM 407 C CG . ASN A 1 140 ? 34.255 7.588 14.097 1.00 46.12 ? 222 ASN A CG 1 ATOM 408 O OD1 . ASN A 1 140 ? 34.708 8.732 14.048 1.00 48.05 ? 222 ASN A OD1 1 ATOM 409 N ND2 . ASN A 1 140 ? 34.877 6.597 14.722 1.00 48.44 ? 222 ASN A ND2 1 ATOM 410 N N . CYS A 1 141 ? 29.642 7.760 13.064 1.00 25.28 ? 223 CYS A N 1 ATOM 411 C CA . CYS A 1 141 ? 28.460 7.414 12.279 1.00 14.25 ? 223 CYS A CA 1 ATOM 412 C C . CYS A 1 141 ? 27.347 8.446 12.421 1.00 14.60 ? 223 CYS A C 1 ATOM 413 O O . CYS A 1 141 ? 26.246 8.255 11.905 1.00 19.88 ? 223 CYS A O 1 ATOM 414 C CB . CYS A 1 141 ? 27.933 6.034 12.677 1.00 13.02 ? 223 CYS A CB 1 ATOM 415 S SG . CYS A 1 141 ? 28.997 4.659 12.178 1.00 63.67 ? 223 CYS A SG 1 ATOM 416 N N . GLY A 1 142 ? 27.637 9.541 13.115 1.00 19.25 ? 224 GLY A N 1 ATOM 417 C CA . GLY A 1 142 ? 26.641 10.571 13.347 1.00 19.59 ? 224 GLY A CA 1 ATOM 418 C C . GLY A 1 142 ? 27.168 11.962 13.059 1.00 19.08 ? 224 GLY A C 1 ATOM 419 O O . GLY A 1 142 ? 28.192 12.119 12.396 1.00 21.95 ? 224 GLY A O 1 ATOM 420 N N . THR A 1 143 ? 26.467 12.974 13.560 1.00 18.52 ? 225 THR A N 1 ATOM 421 C CA . THR A 1 143 ? 26.895 14.358 13.392 1.00 18.76 ? 225 THR A CA 1 ATOM 422 C C . THR A 1 143 ? 27.604 14.849 14.648 1.00 33.02 ? 225 THR A C 1 ATOM 423 O O . THR A 1 143 ? 27.011 14.907 15.725 1.00 44.51 ? 225 THR A O 1 ATOM 424 C CB . THR A 1 143 ? 25.716 15.285 13.076 1.00 21.56 ? 225 THR A CB 1 ATOM 425 O OG1 . THR A 1 143 ? 25.053 14.832 11.888 1.00 24.02 ? 225 THR A OG1 1 ATOM 426 C CG2 . THR A 1 143 ? 26.217 16.706 12.870 1.00 22.92 ? 225 THR A CG2 1 ATOM 427 N N . TYR A 1 144 ? 28.875 15.207 14.500 1.00 27.48 ? 226 TYR A N 1 ATOM 428 C CA . TYR A 1 144 ? 29.705 15.577 15.638 1.00 22.82 ? 226 TYR A CA 1 ATOM 429 C C . TYR A 1 144 ? 30.261 16.988 15.496 1.00 8.70 ? 226 TYR A C 1 ATOM 430 O O . TYR A 1 144 ? 30.419 17.499 14.389 1.00 47.39 ? 226 TYR A O 1 ATOM 431 C CB . TYR A 1 144 ? 30.846 14.569 15.798 1.00 20.69 ? 226 TYR A CB 1 ATOM 432 C CG . TYR A 1 144 ? 31.899 14.954 16.811 1.00 17.02 ? 226 TYR A CG 1 ATOM 433 C CD1 . TYR A 1 144 ? 31.608 14.987 18.166 1.00 9.56 ? 226 TYR A CD1 1 ATOM 434 C CD2 . TYR A 1 144 ? 33.188 15.282 16.408 1.00 13.96 ? 226 TYR A CD2 1 ATOM 435 C CE1 . TYR A 1 144 ? 32.569 15.335 19.093 1.00 30.60 ? 226 TYR A CE1 1 ATOM 436 C CE2 . TYR A 1 144 ? 34.158 15.631 17.329 1.00 14.28 ? 226 TYR A CE2 1 ATOM 437 C CZ . TYR A 1 144 ? 33.843 15.656 18.669 1.00 29.23 ? 226 TYR A CZ 1 ATOM 438 O OH . TYR A 1 144 ? 34.800 16.001 19.596 1.00 38.45 ? 226 TYR A OH 1 ATOM 439 N N . THR A 1 145 ? 30.549 17.613 16.630 1.00 13.74 ? 227 THR A N 1 ATOM 440 C CA . THR A 1 145 ? 31.183 18.921 16.659 1.00 12.76 ? 227 THR A CA 1 ATOM 441 C C . THR A 1 145 ? 32.283 18.917 17.717 1.00 20.33 ? 227 THR A C 1 ATOM 442 O O . THR A 1 145 ? 32.056 18.520 18.862 1.00 23.43 ? 227 THR A O 1 ATOM 443 C CB . THR A 1 145 ? 30.166 20.051 16.938 1.00 16.75 ? 227 THR A CB 1 ATOM 444 O OG1 . THR A 1 145 ? 30.864 21.290 17.107 1.00 14.12 ? 227 THR A OG1 1 ATOM 445 C CG2 . THR A 1 145 ? 29.350 19.767 18.185 1.00 20.10 ? 227 THR A CG2 1 ATOM 446 N N . LYS A 1 146 ? 33.487 19.305 17.300 1.00 21.21 ? 228 LYS A N 1 ATOM 447 C CA . LYS A 1 146 ? 34.651 19.367 18.182 1.00 20.28 ? 228 LYS A CA 1 ATOM 448 C C . LYS A 1 146 ? 34.344 20.052 19.509 1.00 23.90 ? 228 LYS A C 1 ATOM 449 O O . LYS A 1 146 ? 34.724 19.563 20.574 1.00 27.43 ? 228 LYS A O 1 ATOM 450 C CB . LYS A 1 146 ? 35.808 20.083 17.482 1.00 24.08 ? 228 LYS A CB 1 ATOM 451 C CG . LYS A 1 146 ? 36.612 19.193 16.544 1.00 42.27 ? 228 LYS A CG 1 ATOM 452 C CD . LYS A 1 146 ? 37.624 18.350 17.302 1.00 45.49 ? 228 LYS A CD 1 ATOM 453 C CE . LYS A 1 146 ? 38.188 17.251 16.418 1.00 46.80 ? 228 LYS A CE 1 ATOM 454 N NZ . LYS A 1 146 ? 38.466 16.010 17.193 1.00 52.07 ? 228 LYS A NZ 1 ATOM 455 N N . ASN A 1 147 ? 33.653 21.183 19.439 1.00 28.82 ? 229 ASN A N 1 ATOM 456 C CA . ASN A 1 147 ? 33.313 21.940 20.633 1.00 30.45 ? 229 ASN A CA 1 ATOM 457 C C . ASN A 1 147 ? 31.892 22.483 20.577 1.00 34.46 ? 229 ASN A C 1 ATOM 458 O O . ASN A 1 147 ? 31.497 23.103 19.595 1.00 46.16 ? 229 ASN A O 1 ATOM 459 C CB . ASN A 1 147 ? 34.299 23.093 20.838 1.00 26.60 ? 229 ASN A CB 1 ATOM 460 C CG . ASN A 1 147 ? 35.734 22.617 20.966 1.00 38.94 ? 229 ASN A CG 1 ATOM 461 O OD1 . ASN A 1 147 ? 36.467 22.555 19.979 1.00 48.72 ? 229 ASN A OD1 1 ATOM 462 N ND2 . ASN A 1 147 ? 36.139 22.272 22.183 1.00 38.02 ? 229 ASN A ND2 1 HETATM 463 N N . MSE A 1 148 ? 31.120 22.236 21.628 1.00 29.37 ? 230 MSE A N 1 HETATM 464 C CA . MSE A 1 148 ? 29.809 22.857 21.754 1.00 20.10 ? 230 MSE A CA 1 HETATM 465 C C . MSE A 1 148 ? 29.855 23.894 22.864 1.00 20.17 ? 230 MSE A C 1 HETATM 466 O O . MSE A 1 148 ? 30.165 23.569 24.010 1.00 21.95 ? 230 MSE A O 1 HETATM 467 C CB . MSE A 1 148 ? 28.735 21.821 22.062 1.00 16.02 ? 230 MSE A CB 1 HETATM 468 C CG . MSE A 1 148 ? 27.332 22.389 21.988 1.00 19.64 ? 230 MSE A CG 1 HETATM 469 SE SE . MSE A 1 148 ? 26.009 21.269 22.859 1.00 46.71 ? 230 MSE A SE 1 HETATM 470 C CE . MSE A 1 148 ? 24.459 21.836 21.846 1.00 14.71 ? 230 MSE A CE 1 ATOM 471 N N . ARG A 1 149 ? 29.549 25.141 22.526 1.00 16.94 ? 231 ARG A N 1 ATOM 472 C CA . ARG A 1 149 ? 29.650 26.221 23.498 1.00 20.88 ? 231 ARG A CA 1 ATOM 473 C C . ARG A 1 149 ? 28.420 26.285 24.396 1.00 24.29 ? 231 ARG A C 1 ATOM 474 O O . ARG A 1 149 ? 27.296 26.421 23.913 1.00 23.28 ? 231 ARG A O 1 ATOM 475 C CB . ARG A 1 149 ? 29.888 27.561 22.797 1.00 30.09 ? 231 ARG A CB 1 ATOM 476 C CG . ARG A 1 149 ? 31.119 27.568 21.903 1.00 45.81 ? 231 ARG A CG 1 ATOM 477 C CD . ARG A 1 149 ? 31.507 28.974 21.463 1.00 48.31 ? 231 ARG A CD 1 ATOM 478 N NE . ARG A 1 149 ? 30.576 29.555 20.500 1.00 49.83 ? 231 ARG A NE 1 ATOM 479 C CZ . ARG A 1 149 ? 29.631 30.436 20.813 1.00 43.72 ? 231 ARG A CZ 1 ATOM 480 N NH1 . ARG A 1 149 ? 29.489 30.840 22.068 1.00 33.28 ? 231 ARG A NH1 1 ATOM 481 N NH2 . ARG A 1 149 ? 28.831 30.916 19.870 1.00 37.94 ? 231 ARG A NH2 1 ATOM 482 N N . PRO A 1 150 ? 28.636 26.181 25.714 1.00 25.93 ? 232 PRO A N 1 ATOM 483 C CA . PRO A 1 150 ? 27.575 26.217 26.721 1.00 14.79 ? 232 PRO A CA 1 ATOM 484 C C . PRO A 1 150 ? 27.278 27.649 27.148 1.00 20.79 ? 232 PRO A C 1 ATOM 485 O O . PRO A 1 150 ? 27.926 28.574 26.663 1.00 26.12 ? 232 PRO A O 1 ATOM 486 C CB . PRO A 1 150 ? 28.184 25.440 27.885 1.00 25.94 ? 232 PRO A CB 1 ATOM 487 C CG . PRO A 1 150 ? 29.659 25.661 27.754 1.00 19.08 ? 232 PRO A CG 1 ATOM 488 C CD . PRO A 1 150 ? 29.967 26.004 26.321 1.00 19.83 ? 232 PRO A CD 1 HETATM 489 N N . MSE A 1 151 ? 26.314 27.828 28.044 1.00 25.54 ? 233 MSE A N 1 HETATM 490 C CA . MSE A 1 151 ? 25.953 29.165 28.500 1.00 28.90 ? 233 MSE A CA 1 HETATM 491 C C . MSE A 1 151 ? 26.758 29.610 29.717 1.00 39.02 ? 233 MSE A C 1 HETATM 492 O O . MSE A 1 151 ? 27.523 28.831 30.289 1.00 51.14 ? 233 MSE A O 1 HETATM 493 C CB . MSE A 1 151 ? 24.453 29.260 28.793 1.00 26.98 ? 233 MSE A CB 1 HETATM 494 C CG . MSE A 1 151 ? 23.567 29.202 27.557 1.00 20.11 ? 233 MSE A CG 1 HETATM 495 SE SE . MSE A 1 151 ? 24.188 30.345 26.100 1.00 79.30 ? 233 MSE A SE 1 HETATM 496 C CE . MSE A 1 151 ? 24.448 32.015 27.083 1.00 90.89 ? 233 MSE A CE 1 ATOM 497 N N . TYR A 1 152 ? 26.583 30.870 30.101 1.00 32.91 ? 234 TYR A N 1 ATOM 498 C CA . TYR A 1 152 ? 27.296 31.432 31.239 1.00 22.51 ? 234 TYR A CA 1 ATOM 499 C C . TYR A 1 152 ? 26.327 31.707 32.384 1.00 26.33 ? 234 TYR A C 1 ATOM 500 O O . TYR A 1 152 ? 25.248 32.257 32.165 1.00 37.83 ? 234 TYR A O 1 ATOM 501 C CB . TYR A 1 152 ? 28.012 32.718 30.822 1.00 26.92 ? 234 TYR A CB 1 ATOM 502 C CG . TYR A 1 152 ? 28.925 33.302 31.874 1.00 33.79 ? 234 TYR A CG 1 ATOM 503 C CD1 . TYR A 1 152 ? 30.231 32.850 32.014 1.00 34.42 ? 234 TYR A CD1 1 ATOM 504 C CD2 . TYR A 1 152 ? 28.485 34.309 32.721 1.00 31.66 ? 234 TYR A CD2 1 ATOM 505 C CE1 . TYR A 1 152 ? 31.072 33.382 32.970 1.00 29.34 ? 234 TYR A CE1 1 ATOM 506 C CE2 . TYR A 1 152 ? 29.318 34.846 33.681 1.00 31.30 ? 234 TYR A CE2 1 ATOM 507 C CZ . TYR A 1 152 ? 30.610 34.379 33.802 1.00 32.74 ? 234 TYR A CZ 1 ATOM 508 O OH . TYR A 1 152 ? 31.443 34.914 34.757 1.00 34.67 ? 234 TYR A OH 1 ATOM 509 N N . PRO A 1 153 ? 26.705 31.330 33.614 1.00 31.17 ? 235 PRO A N 1 ATOM 510 C CA . PRO A 1 153 ? 27.933 30.602 33.955 1.00 32.42 ? 235 PRO A CA 1 ATOM 511 C C . PRO A 1 153 ? 27.837 29.133 33.575 1.00 34.50 ? 235 PRO A C 1 ATOM 512 O O . PRO A 1 153 ? 26.759 28.609 33.343 1.00 37.39 ? 235 PRO A O 1 ATOM 513 C CB . PRO A 1 153 ? 28.000 30.721 35.480 1.00 36.82 ? 235 PRO A CB 1 ATOM 514 C CG . PRO A 1 153 ? 27.081 31.852 35.835 1.00 39.03 ? 235 PRO A CG 1 ATOM 515 C CD . PRO A 1 153 ? 25.996 31.798 34.816 1.00 36.16 ? 235 PRO A CD 1 ATOM 516 N N . THR A 1 154 ? 28.972 28.461 33.516 1.00 36.16 ? 236 THR A N 1 ATOM 517 C CA . THR A 1 154 ? 29.010 27.078 33.070 1.00 42.54 ? 236 THR A CA 1 ATOM 518 C C . THR A 1 154 ? 28.631 26.132 34.208 1.00 43.56 ? 236 THR A C 1 ATOM 519 O O . THR A 1 154 ? 29.502 25.489 34.784 1.00 44.71 ? 236 THR A O 1 ATOM 520 C CB . THR A 1 154 ? 30.436 26.727 32.558 1.00 39.39 ? 236 THR A CB 1 ATOM 521 O OG1 . THR A 1 154 ? 31.272 27.888 32.604 1.00 30.23 ? 236 THR A OG1 1 ATOM 522 C CG2 . THR A 1 154 ? 30.402 26.253 31.135 1.00 53.09 ? 236 THR A CG2 1 ATOM 523 N N . LYS A 1 155 ? 27.343 26.075 34.530 1.00 40.05 ? 237 LYS A N 1 ATOM 524 C CA . LYS A 1 155 ? 26.819 25.262 35.620 1.00 34.18 ? 237 LYS A CA 1 ATOM 525 C C . LYS A 1 155 ? 25.773 24.305 35.100 1.00 38.07 ? 237 LYS A C 1 ATOM 526 O O . LYS A 1 155 ? 25.255 24.508 34.000 1.00 48.72 ? 237 LYS A O 1 ATOM 527 C CB . LYS A 1 155 ? 26.229 26.151 36.708 1.00 29.17 ? 237 LYS A CB 1 ATOM 528 C CG . LYS A 1 155 ? 27.261 27.028 37.408 1.00 32.45 ? 237 LYS A CG 1 ATOM 529 C CD . LYS A 1 155 ? 28.156 26.258 38.368 1.00 35.49 ? 237 LYS A CD 1 ATOM 530 C CE . LYS A 1 155 ? 29.141 27.188 39.080 1.00 43.65 ? 237 LYS A CE 1 ATOM 531 N NZ . LYS A 1 155 ? 30.362 26.442 39.522 1.00 55.29 ? 237 LYS A NZ 1 ATOM 532 N N . THR A 1 156 ? 25.490 23.262 35.880 1.00 32.85 ? 238 THR A N 1 ATOM 533 C CA . THR A 1 156 ? 24.573 22.205 35.475 1.00 31.58 ? 238 THR A CA 1 ATOM 534 C C . THR A 1 156 ? 23.171 22.721 35.177 1.00 35.06 ? 238 THR A C 1 ATOM 535 O O . THR A 1 156 ? 22.702 22.628 34.044 1.00 38.90 ? 238 THR A O 1 ATOM 536 C CB . THR A 1 156 ? 24.471 21.099 36.549 1.00 36.35 ? 238 THR A CB 1 ATOM 537 O OG1 . THR A 1 156 ? 25.740 20.457 36.703 1.00 45.72 ? 238 THR A OG1 1 ATOM 538 C CG2 . THR A 1 156 ? 23.461 20.059 36.138 1.00 34.98 ? 238 THR A CG2 1 ATOM 539 N N . PHE A 1 157 ? 22.510 23.260 36.194 1.00 39.74 ? 239 PHE A N 1 ATOM 540 C CA . PHE A 1 157 ? 21.127 23.720 36.058 1.00 41.94 ? 239 PHE A CA 1 ATOM 541 C C . PHE A 1 157 ? 20.861 24.791 34.991 1.00 42.76 ? 239 PHE A C 1 ATOM 542 O O . PHE A 1 157 ? 19.899 24.662 34.233 1.00 40.65 ? 239 PHE A O 1 ATOM 543 C CB . PHE A 1 157 ? 20.554 24.148 37.419 1.00 40.95 ? 239 PHE A CB 1 ATOM 544 C CG . PHE A 1 157 ? 19.605 23.141 38.020 1.00 48.03 ? 239 PHE A CG 1 ATOM 545 C CD1 . PHE A 1 157 ? 20.064 21.915 38.477 1.00 54.37 ? 239 PHE A CD1 1 ATOM 546 C CD2 . PHE A 1 157 ? 18.253 23.428 38.132 1.00 54.02 ? 239 PHE A CD2 1 ATOM 547 C CE1 . PHE A 1 157 ? 19.193 20.999 39.025 1.00 58.65 ? 239 PHE A CE1 1 ATOM 548 C CE2 . PHE A 1 157 ? 17.377 22.513 38.681 1.00 60.84 ? 239 PHE A CE2 1 ATOM 549 C CZ . PHE A 1 157 ? 17.849 21.297 39.128 1.00 62.47 ? 239 PHE A CZ 1 ATOM 550 N N . PRO A 1 158 ? 21.683 25.856 34.940 1.00 38.86 ? 240 PRO A N 1 ATOM 551 C CA . PRO A 1 158 ? 21.415 26.865 33.909 1.00 49.03 ? 240 PRO A CA 1 ATOM 552 C C . PRO A 1 158 ? 21.534 26.304 32.495 1.00 50.79 ? 240 PRO A C 1 ATOM 553 O O . PRO A 1 158 ? 20.677 26.574 31.652 1.00 48.62 ? 240 PRO A O 1 ATOM 554 C CB . PRO A 1 158 ? 22.514 27.904 34.148 1.00 43.58 ? 240 PRO A CB 1 ATOM 555 C CG . PRO A 1 158 ? 22.891 27.733 35.563 1.00 38.27 ? 240 PRO A CG 1 ATOM 556 C CD . PRO A 1 158 ? 22.776 26.273 35.835 1.00 30.71 ? 240 PRO A CD 1 ATOM 557 N N . ASN A 1 159 ? 22.582 25.525 32.248 1.00 46.65 ? 241 ASN A N 1 ATOM 558 C CA . ASN A 1 159 ? 22.821 24.958 30.926 1.00 48.08 ? 241 ASN A CA 1 ATOM 559 C C . ASN A 1 159 ? 21.822 23.873 30.544 1.00 51.22 ? 241 ASN A C 1 ATOM 560 O O . ASN A 1 159 ? 21.299 23.871 29.432 1.00 63.08 ? 241 ASN A O 1 ATOM 561 C CB . ASN A 1 159 ? 24.253 24.431 30.819 1.00 44.38 ? 241 ASN A CB 1 ATOM 562 C CG . ASN A 1 159 ? 25.283 25.540 30.883 1.00 44.52 ? 241 ASN A CG 1 ATOM 563 O OD1 . ASN A 1 159 ? 25.663 26.108 29.860 1.00 39.51 ? 241 ASN A OD1 1 ATOM 564 N ND2 . ASN A 1 159 ? 25.738 25.858 32.089 1.00 49.73 ? 241 ASN A ND2 1 ATOM 565 N N . HIS A 1 160 ? 21.563 22.952 31.468 1.00 41.92 ? 242 HIS A N 1 ATOM 566 C CA . HIS A 1 160 ? 20.595 21.886 31.236 1.00 41.35 ? 242 HIS A CA 1 ATOM 567 C C . HIS A 1 160 ? 19.212 22.449 30.927 1.00 39.21 ? 242 HIS A C 1 ATOM 568 O O . HIS A 1 160 ? 18.451 21.867 30.156 1.00 33.00 ? 242 HIS A O 1 ATOM 569 C CB . HIS A 1 160 ? 20.515 20.952 32.446 1.00 44.77 ? 242 HIS A CB 1 ATOM 570 C CG . HIS A 1 160 ? 21.438 19.773 32.371 1.00 43.42 ? 242 HIS A CG 1 ATOM 571 N ND1 . HIS A 1 160 ? 22.693 19.773 32.939 1.00 39.07 ? 242 HIS A ND1 1 ATOM 572 C CD2 . HIS A 1 160 ? 21.279 18.550 31.812 1.00 44.12 ? 242 HIS A CD2 1 ATOM 573 C CE1 . HIS A 1 160 ? 23.273 18.606 32.724 1.00 38.60 ? 242 HIS A CE1 1 ATOM 574 N NE2 . HIS A 1 160 ? 22.436 17.845 32.041 1.00 41.00 ? 242 HIS A NE2 1 ATOM 575 N N . TYR A 1 161 ? 18.893 23.585 31.539 1.00 36.59 ? 243 TYR A N 1 ATOM 576 C CA . TYR A 1 161 ? 17.605 24.232 31.324 1.00 32.84 ? 243 TYR A CA 1 ATOM 577 C C . TYR A 1 161 ? 17.629 25.113 30.080 1.00 36.09 ? 243 TYR A C 1 ATOM 578 O O . TYR A 1 161 ? 16.600 25.327 29.444 1.00 34.00 ? 243 TYR A O 1 ATOM 579 C CB . TYR A 1 161 ? 17.182 25.039 32.554 1.00 32.26 ? 243 TYR A CB 1 ATOM 580 C CG . TYR A 1 161 ? 15.716 25.409 32.553 1.00 34.63 ? 243 TYR A CG 1 ATOM 581 C CD1 . TYR A 1 161 ? 14.734 24.429 32.620 1.00 24.88 ? 243 TYR A CD1 1 ATOM 582 C CD2 . TYR A 1 161 ? 15.314 26.735 32.476 1.00 24.78 ? 243 TYR A CD2 1 ATOM 583 C CE1 . TYR A 1 161 ? 13.392 24.761 32.611 1.00 47.43 ? 243 TYR A CE1 1 ATOM 584 C CE2 . TYR A 1 161 ? 13.973 27.078 32.468 1.00 41.47 ? 243 TYR A CE2 1 ATOM 585 C CZ . TYR A 1 161 ? 13.017 26.086 32.535 1.00 42.86 ? 243 TYR A CZ 1 ATOM 586 O OH . TYR A 1 161 ? 11.682 26.421 32.528 1.00 40.07 ? 243 TYR A OH 1 ATOM 587 N N . SER A 1 162 ? 18.811 25.614 29.733 1.00 43.52 ? 244 SER A N 1 ATOM 588 C CA . SER A 1 162 ? 18.972 26.409 28.519 1.00 39.99 ? 244 SER A CA 1 ATOM 589 C C . SER A 1 162 ? 18.886 25.536 27.273 1.00 37.66 ? 244 SER A C 1 ATOM 590 O O . SER A 1 162 ? 18.454 25.988 26.214 1.00 47.20 ? 244 SER A O 1 ATOM 591 C CB . SER A 1 162 ? 20.297 27.174 28.535 1.00 35.84 ? 244 SER A CB 1 ATOM 592 O OG . SER A 1 162 ? 20.253 28.252 29.453 1.00 38.30 ? 244 SER A OG 1 ATOM 593 N N . ILE A 1 163 ? 19.308 24.284 27.411 1.00 28.02 ? 245 ILE A N 1 ATOM 594 C CA . ILE A 1 163 ? 19.229 23.317 26.323 1.00 24.95 ? 245 ILE A CA 1 ATOM 595 C C . ILE A 1 163 ? 17.777 23.075 25.921 1.00 35.02 ? 245 ILE A C 1 ATOM 596 O O . ILE A 1 163 ? 17.428 23.130 24.741 1.00 47.86 ? 245 ILE A O 1 ATOM 597 C CB . ILE A 1 163 ? 19.871 21.975 26.716 1.00 26.78 ? 245 ILE A CB 1 ATOM 598 C CG1 . ILE A 1 163 ? 21.387 22.126 26.842 1.00 29.34 ? 245 ILE A CG1 1 ATOM 599 C CG2 . ILE A 1 163 ? 19.541 20.905 25.692 1.00 24.10 ? 245 ILE A CG2 1 ATOM 600 C CD1 . ILE A 1 163 ? 22.080 20.884 27.355 1.00 27.95 ? 245 ILE A CD1 1 ATOM 601 N N . VAL A 1 164 ? 16.933 22.818 26.916 1.00 33.74 ? 246 VAL A N 1 ATOM 602 C CA . VAL A 1 164 ? 15.538 22.465 26.673 1.00 32.90 ? 246 VAL A CA 1 ATOM 603 C C . VAL A 1 164 ? 14.609 23.667 26.511 1.00 34.79 ? 246 VAL A C 1 ATOM 604 O O . VAL A 1 164 ? 13.419 23.503 26.248 1.00 38.34 ? 246 VAL A O 1 ATOM 605 C CB . VAL A 1 164 ? 14.990 21.559 27.793 1.00 29.95 ? 246 VAL A CB 1 ATOM 606 C CG1 . VAL A 1 164 ? 15.681 20.206 27.759 1.00 26.23 ? 246 VAL A CG1 1 ATOM 607 C CG2 . VAL A 1 164 ? 15.163 22.227 29.149 1.00 33.55 ? 246 VAL A CG2 1 ATOM 608 N N . THR A 1 165 ? 15.152 24.871 26.659 1.00 34.97 ? 247 THR A N 1 ATOM 609 C CA . THR A 1 165 ? 14.358 26.082 26.485 1.00 41.00 ? 247 THR A CA 1 ATOM 610 C C . THR A 1 165 ? 14.879 26.930 25.330 1.00 41.73 ? 247 THR A C 1 ATOM 611 O O . THR A 1 165 ? 14.141 27.734 24.759 1.00 20.07 ? 247 THR A O 1 ATOM 612 C CB . THR A 1 165 ? 14.322 26.944 27.765 1.00 43.34 ? 247 THR A CB 1 ATOM 613 O OG1 . THR A 1 165 ? 15.661 27.238 28.184 1.00 37.30 ? 247 THR A OG1 1 ATOM 614 C CG2 . THR A 1 165 ? 13.591 26.214 28.882 1.00 48.85 ? 247 THR A CG2 1 ATOM 615 N N . GLY A 1 166 ? 16.151 26.746 24.992 1.00 42.53 ? 248 GLY A N 1 ATOM 616 C CA . GLY A 1 166 ? 16.784 27.522 23.942 1.00 41.33 ? 248 GLY A CA 1 ATOM 617 C C . GLY A 1 166 ? 16.918 28.978 24.338 1.00 38.33 ? 248 GLY A C 1 ATOM 618 O O . GLY A 1 166 ? 17.056 29.858 23.490 1.00 40.43 ? 248 GLY A O 1 ATOM 619 N N . LEU A 1 167 ? 16.879 29.226 25.642 1.00 35.35 ? 249 LEU A N 1 ATOM 620 C CA . LEU A 1 167 ? 16.944 30.580 26.170 1.00 30.88 ? 249 LEU A CA 1 ATOM 621 C C . LEU A 1 167 ? 18.239 30.839 26.921 1.00 33.81 ? 249 LEU A C 1 ATOM 622 O O . LEU A 1 167 ? 18.868 29.920 27.446 1.00 37.84 ? 249 LEU A O 1 ATOM 623 C CB . LEU A 1 167 ? 15.756 30.840 27.095 1.00 27.60 ? 249 LEU A CB 1 ATOM 624 C CG . LEU A 1 167 ? 14.397 30.912 26.399 1.00 32.27 ? 249 LEU A CG 1 ATOM 625 C CD1 . LEU A 1 167 ? 13.277 31.080 27.410 1.00 33.98 ? 249 LEU A CD1 1 ATOM 626 C CD2 . LEU A 1 167 ? 14.401 32.064 25.416 1.00 21.33 ? 249 LEU A CD2 1 ATOM 627 N N . TYR A 1 168 ? 18.631 32.106 26.958 1.00 34.74 ? 250 TYR A N 1 ATOM 628 C CA . TYR A 1 168 ? 19.751 32.550 27.772 1.00 37.21 ? 250 TYR A CA 1 ATOM 629 C C . TYR A 1 168 ? 19.359 32.416 29.238 1.00 41.44 ? 250 TYR A C 1 ATOM 630 O O . TYR A 1 168 ? 18.191 32.597 29.580 1.00 50.00 ? 250 TYR A O 1 ATOM 631 C CB . TYR A 1 168 ? 20.103 33.999 27.442 1.00 31.76 ? 250 TYR A CB 1 ATOM 632 C CG . TYR A 1 168 ? 20.707 34.173 26.067 1.00 26.64 ? 250 TYR A CG 1 ATOM 633 C CD1 . TYR A 1 168 ? 21.666 33.290 25.596 1.00 33.69 ? 250 TYR A CD1 1 ATOM 634 C CD2 . TYR A 1 168 ? 20.310 35.213 25.237 1.00 25.72 ? 250 TYR A CD2 1 ATOM 635 C CE1 . TYR A 1 168 ? 22.222 33.442 24.341 1.00 38.75 ? 250 TYR A CE1 1 ATOM 636 C CE2 . TYR A 1 168 ? 20.858 35.371 23.979 1.00 27.64 ? 250 TYR A CE2 1 ATOM 637 C CZ . TYR A 1 168 ? 21.814 34.481 23.536 1.00 30.22 ? 250 TYR A CZ 1 ATOM 638 O OH . TYR A 1 168 ? 22.367 34.626 22.285 1.00 24.65 ? 250 TYR A OH 1 ATOM 639 N N . PRO A 1 169 ? 20.327 32.084 30.107 1.00 35.95 ? 251 PRO A N 1 ATOM 640 C CA . PRO A 1 169 ? 20.056 31.956 31.545 1.00 28.91 ? 251 PRO A CA 1 ATOM 641 C C . PRO A 1 169 ? 19.423 33.215 32.131 1.00 30.29 ? 251 PRO A C 1 ATOM 642 O O . PRO A 1 169 ? 18.644 33.121 33.078 1.00 40.97 ? 251 PRO A O 1 ATOM 643 C CB . PRO A 1 169 ? 21.449 31.736 32.138 1.00 33.01 ? 251 PRO A CB 1 ATOM 644 C CG . PRO A 1 169 ? 22.217 31.093 31.040 1.00 39.39 ? 251 PRO A CG 1 ATOM 645 C CD . PRO A 1 169 ? 21.716 31.725 29.773 1.00 39.38 ? 251 PRO A CD 1 ATOM 646 N N . GLU A 1 170 ? 19.755 34.375 31.571 1.00 24.88 ? 252 GLU A N 1 ATOM 647 C CA . GLU A 1 170 ? 19.199 35.637 32.044 1.00 28.89 ? 252 GLU A CA 1 ATOM 648 C C . GLU A 1 170 ? 17.707 35.745 31.748 1.00 26.40 ? 252 GLU A C 1 ATOM 649 O O . GLU A 1 170 ? 17.027 36.620 32.281 1.00 33.73 ? 252 GLU A O 1 ATOM 650 C CB . GLU A 1 170 ? 19.914 36.819 31.390 1.00 37.84 ? 252 GLU A CB 1 ATOM 651 C CG . GLU A 1 170 ? 19.650 36.933 29.896 1.00 41.27 ? 252 GLU A CG 1 ATOM 652 C CD . GLU A 1 170 ? 20.197 38.212 29.295 1.00 47.34 ? 252 GLU A CD 1 ATOM 653 O OE1 . GLU A 1 170 ? 20.951 38.923 29.990 1.00 50.51 ? 252 GLU A OE1 1 ATOM 654 O OE2 . GLU A 1 170 ? 19.870 38.507 28.126 1.00 51.10 ? 252 GLU A OE2 1 ATOM 655 N N . SER A 1 171 ? 17.199 34.857 30.899 1.00 26.14 ? 253 SER A N 1 ATOM 656 C CA . SER A 1 171 ? 15.808 34.944 30.468 1.00 39.44 ? 253 SER A CA 1 ATOM 657 C C . SER A 1 171 ? 14.931 33.783 30.942 1.00 38.67 ? 253 SER A C 1 ATOM 658 O O . SER A 1 171 ? 13.720 33.942 31.086 1.00 49.83 ? 253 SER A O 1 ATOM 659 C CB . SER A 1 171 ? 15.729 35.083 28.943 1.00 42.72 ? 253 SER A CB 1 ATOM 660 O OG . SER A 1 171 ? 14.594 35.839 28.556 1.00 39.58 ? 253 SER A OG 1 ATOM 661 N N . HIS A 1 172 ? 15.531 32.621 31.184 1.00 31.41 ? 254 HIS A N 1 ATOM 662 C CA . HIS A 1 172 ? 14.743 31.466 31.611 1.00 37.43 ? 254 HIS A CA 1 ATOM 663 C C . HIS A 1 172 ? 14.725 31.299 33.128 1.00 38.86 ? 254 HIS A C 1 ATOM 664 O O . HIS A 1 172 ? 14.088 30.389 33.657 1.00 47.56 ? 254 HIS A O 1 ATOM 665 C CB . HIS A 1 172 ? 15.162 30.170 30.897 1.00 44.09 ? 254 HIS A CB 1 ATOM 666 C CG . HIS A 1 172 ? 16.556 29.716 31.207 1.00 43.98 ? 254 HIS A CG 1 ATOM 667 N ND1 . HIS A 1 172 ? 17.006 29.505 32.492 1.00 46.19 ? 254 HIS A ND1 1 ATOM 668 C CD2 . HIS A 1 172 ? 17.592 29.408 30.392 1.00 45.19 ? 254 HIS A CD2 1 ATOM 669 C CE1 . HIS A 1 172 ? 18.263 29.099 32.456 1.00 48.66 ? 254 HIS A CE1 1 ATOM 670 N NE2 . HIS A 1 172 ? 18.642 29.030 31.193 1.00 42.82 ? 254 HIS A NE2 1 ATOM 671 N N . GLY A 1 173 ? 15.426 32.189 33.822 1.00 43.21 ? 255 GLY A N 1 ATOM 672 C CA . GLY A 1 173 ? 15.349 32.260 35.269 1.00 49.78 ? 255 GLY A CA 1 ATOM 673 C C . GLY A 1 173 ? 16.402 31.492 36.043 1.00 45.67 ? 255 GLY A C 1 ATOM 674 O O . GLY A 1 173 ? 16.779 31.902 37.141 1.00 39.08 ? 255 GLY A O 1 ATOM 675 N N . ILE A 1 174 ? 16.879 30.381 35.497 1.00 27.32 ? 256 ILE A N 1 ATOM 676 C CA . ILE A 1 174 ? 17.872 29.587 36.209 1.00 27.22 ? 256 ILE A CA 1 ATOM 677 C C . ILE A 1 174 ? 19.272 30.118 35.924 1.00 49.49 ? 256 ILE A C 1 ATOM 678 O O . ILE A 1 174 ? 19.957 29.654 35.014 1.00 59.42 ? 256 ILE A O 1 ATOM 679 C CB . ILE A 1 174 ? 17.776 28.094 35.848 1.00 45.51 ? 256 ILE A CB 1 ATOM 680 C CG1 . ILE A 1 174 ? 16.327 27.617 35.943 1.00 46.38 ? 256 ILE A CG1 1 ATOM 681 C CG2 . ILE A 1 174 ? 18.663 27.265 36.759 1.00 45.26 ? 256 ILE A CG2 1 ATOM 682 C CD1 . ILE A 1 174 ? 15.718 27.777 37.317 1.00 42.15 ? 256 ILE A CD1 1 ATOM 683 N N . ILE A 1 175 ? 19.681 31.103 36.715 1.00 36.53 ? 257 ILE A N 1 ATOM 684 C CA . ILE A 1 175 ? 20.952 31.787 36.515 1.00 33.88 ? 257 ILE A CA 1 ATOM 685 C C . ILE A 1 175 ? 22.141 30.940 36.965 1.00 43.64 ? 257 ILE A C 1 ATOM 686 O O . ILE A 1 175 ? 23.159 30.864 36.275 1.00 51.18 ? 257 ILE A O 1 ATOM 687 C CB . ILE A 1 175 ? 20.962 33.150 37.241 1.00 41.88 ? 257 ILE A CB 1 ATOM 688 C CG1 . ILE A 1 175 ? 20.341 34.226 36.349 1.00 48.35 ? 257 ILE A CG1 1 ATOM 689 C CG2 . ILE A 1 175 ? 22.375 33.556 37.632 1.00 51.73 ? 257 ILE A CG2 1 ATOM 690 C CD1 . ILE A 1 175 ? 18.841 34.138 36.205 1.00 53.64 ? 257 ILE A CD1 1 ATOM 691 N N . ASP A 1 176 ? 22.005 30.295 38.119 1.00 41.84 ? 258 ASP A N 1 ATOM 692 C CA . ASP A 1 176 ? 23.078 29.477 38.669 1.00 44.01 ? 258 ASP A CA 1 ATOM 693 C C . ASP A 1 176 ? 22.489 28.325 39.476 1.00 49.11 ? 258 ASP A C 1 ATOM 694 O O . ASP A 1 176 ? 21.284 28.288 39.726 1.00 55.19 ? 258 ASP A O 1 ATOM 695 C CB . ASP A 1 176 ? 23.989 30.338 39.551 1.00 48.59 ? 258 ASP A CB 1 ATOM 696 C CG . ASP A 1 176 ? 25.358 29.719 39.772 1.00 43.65 ? 258 ASP A CG 1 ATOM 697 O OD1 . ASP A 1 176 ? 25.461 28.475 39.782 1.00 50.61 ? 258 ASP A OD1 1 ATOM 698 O OD2 . ASP A 1 176 ? 26.333 30.482 39.939 1.00 30.31 ? 258 ASP A OD2 1 ATOM 699 N N . ASN A 1 177 ? 23.339 27.383 39.872 1.00 50.00 ? 259 ASN A N 1 ATOM 700 C CA . ASN A 1 177 ? 22.926 26.317 40.775 1.00 47.33 ? 259 ASN A CA 1 ATOM 701 C C . ASN A 1 177 ? 22.470 26.896 42.108 1.00 45.41 ? 259 ASN A C 1 ATOM 702 O O . ASN A 1 177 ? 21.485 26.446 42.693 1.00 53.55 ? 259 ASN A O 1 ATOM 703 C CB . ASN A 1 177 ? 24.068 25.323 40.996 1.00 46.16 ? 259 ASN A CB 1 ATOM 704 C CG . ASN A 1 177 ? 24.312 24.438 39.791 1.00 50.02 ? 259 ASN A CG 1 ATOM 705 O OD1 . ASN A 1 177 ? 23.513 24.411 38.855 1.00 51.98 ? 259 ASN A OD1 1 ATOM 706 N ND2 . ASN A 1 177 ? 25.421 23.707 39.807 1.00 52.18 ? 259 ASN A ND2 1 ATOM 707 N N . LYS A 1 178 ? 23.200 27.902 42.579 1.00 41.08 ? 260 LYS A N 1 ATOM 708 C CA . LYS A 1 178 ? 22.840 28.618 43.793 1.00 43.95 ? 260 LYS A CA 1 ATOM 709 C C . LYS A 1 178 ? 22.649 30.096 43.473 1.00 46.33 ? 260 LYS A C 1 ATOM 710 O O . LYS A 1 178 ? 23.554 30.747 42.951 1.00 39.24 ? 260 LYS A O 1 ATOM 711 C CB . LYS A 1 178 ? 23.921 28.440 44.860 1.00 32.87 ? 260 LYS A CB 1 HETATM 712 N N . MSE A 1 179 ? 21.469 30.621 43.784 1.00 53.62 ? 261 MSE A N 1 HETATM 713 C CA . MSE A 1 179 ? 21.154 32.016 43.495 1.00 53.37 ? 261 MSE A CA 1 HETATM 714 C C . MSE A 1 179 ? 20.139 32.583 44.480 1.00 56.74 ? 261 MSE A C 1 HETATM 715 O O . MSE A 1 179 ? 19.754 31.918 45.442 1.00 59.60 ? 261 MSE A O 1 HETATM 716 C CB . MSE A 1 179 ? 20.625 32.153 42.069 1.00 46.76 ? 261 MSE A CB 1 HETATM 717 C CG . MSE A 1 179 ? 19.533 31.156 41.725 1.00 44.31 ? 261 MSE A CG 1 HETATM 718 SE SE . MSE A 1 179 ? 18.609 31.577 40.063 1.00 73.30 ? 261 MSE A SE 1 HETATM 719 C CE . MSE A 1 179 ? 17.544 29.954 39.897 1.00 37.57 ? 261 MSE A CE 1 ATOM 720 N N . TYR A 1 180 ? 19.707 33.815 44.232 1.00 63.99 ? 262 TYR A N 1 ATOM 721 C CA . TYR A 1 180 ? 18.740 34.478 45.097 1.00 67.49 ? 262 TYR A CA 1 ATOM 722 C C . TYR A 1 180 ? 17.886 35.515 44.372 1.00 56.10 ? 262 TYR A C 1 ATOM 723 O O . TYR A 1 180 ? 18.387 36.289 43.555 1.00 48.79 ? 262 TYR A O 1 ATOM 724 C CB . TYR A 1 180 ? 19.467 35.139 46.273 1.00 80.06 ? 262 TYR A CB 1 ATOM 725 C CG . TYR A 1 180 ? 18.589 36.048 47.102 1.00 91.09 ? 262 TYR A CG 1 ATOM 726 C CD1 . TYR A 1 180 ? 17.784 35.546 48.115 1.00 99.21 ? 262 TYR A CD1 1 ATOM 727 C CD2 . TYR A 1 180 ? 18.580 37.418 46.876 1.00 92.02 ? 262 TYR A CD2 1 ATOM 728 C CE1 . TYR A 1 180 ? 16.983 36.385 48.871 1.00 104.04 ? 262 TYR A CE1 1 ATOM 729 C CE2 . TYR A 1 180 ? 17.788 38.258 47.621 1.00 95.29 ? 262 TYR A CE2 1 ATOM 730 C CZ . TYR A 1 180 ? 16.992 37.741 48.619 1.00 99.97 ? 262 TYR A CZ 1 ATOM 731 O OH . TYR A 1 180 ? 16.204 38.590 49.362 1.00 99.43 ? 262 TYR A OH 1 ATOM 732 N N . ASP A 1 181 ? 16.594 35.522 44.684 1.00 50.36 ? 263 ASP A N 1 ATOM 733 C CA . ASP A 1 181 ? 15.666 36.487 44.114 1.00 55.33 ? 263 ASP A CA 1 ATOM 734 C C . ASP A 1 181 ? 15.252 37.516 45.165 1.00 62.23 ? 263 ASP A C 1 ATOM 735 O O . ASP A 1 181 ? 14.627 37.163 46.168 1.00 68.82 ? 263 ASP A O 1 ATOM 736 C CB . ASP A 1 181 ? 14.430 35.770 43.562 1.00 60.14 ? 263 ASP A CB 1 ATOM 737 C CG . ASP A 1 181 ? 13.538 36.694 42.754 1.00 64.80 ? 263 ASP A CG 1 ATOM 738 O OD1 . ASP A 1 181 ? 12.752 37.448 43.362 1.00 40.08 ? 263 ASP A OD1 1 ATOM 739 O OD2 . ASP A 1 181 ? 13.626 36.665 41.507 1.00 62.43 ? 263 ASP A OD2 1 ATOM 740 N N . PRO A 1 182 ? 15.600 38.790 44.943 1.00 60.11 ? 264 PRO A N 1 ATOM 741 C CA . PRO A 1 182 ? 15.275 39.875 45.880 1.00 57.85 ? 264 PRO A CA 1 ATOM 742 C C . PRO A 1 182 ? 13.771 40.114 46.001 1.00 61.54 ? 264 PRO A C 1 ATOM 743 O O . PRO A 1 182 ? 13.260 40.319 47.102 1.00 72.92 ? 264 PRO A O 1 ATOM 744 C CB . PRO A 1 182 ? 15.943 41.112 45.266 1.00 58.94 ? 264 PRO A CB 1 ATOM 745 C CG . PRO A 1 182 ? 16.556 40.692 43.993 1.00 61.86 ? 264 PRO A CG 1 ATOM 746 C CD . PRO A 1 182 ? 16.382 39.235 43.778 1.00 60.31 ? 264 PRO A CD 1 ATOM 747 N N . LYS A 1 183 ? 13.081 40.080 44.865 1.00 63.36 ? 265 LYS A N 1 ATOM 748 C CA . LYS A 1 183 ? 11.650 40.351 44.814 1.00 72.64 ? 265 LYS A CA 1 ATOM 749 C C . LYS A 1 183 ? 10.840 39.252 45.495 1.00 75.60 ? 265 LYS A C 1 ATOM 750 O O . LYS A 1 183 ? 9.668 39.441 45.822 1.00 71.29 ? 265 LYS A O 1 ATOM 751 C CB . LYS A 1 183 ? 11.192 40.525 43.364 1.00 42.60 ? 265 LYS A CB 1 HETATM 752 N N . MSE A 1 184 ? 11.473 38.105 45.712 1.00 74.45 ? 266 MSE A N 1 HETATM 753 C CA . MSE A 1 184 ? 10.822 36.994 46.393 1.00 72.16 ? 266 MSE A CA 1 HETATM 754 C C . MSE A 1 184 ? 11.376 36.804 47.800 1.00 72.20 ? 266 MSE A C 1 HETATM 755 O O . MSE A 1 184 ? 10.737 36.170 48.640 1.00 72.87 ? 266 MSE A O 1 HETATM 756 C CB . MSE A 1 184 ? 10.993 35.702 45.595 1.00 72.30 ? 266 MSE A CB 1 HETATM 757 C CG . MSE A 1 184 ? 10.233 35.666 44.280 1.00 71.82 ? 266 MSE A CG 1 HETATM 758 SE SE . MSE A 1 184 ? 10.427 33.941 43.395 1.00 110.12 ? 266 MSE A SE 1 HETATM 759 C CE . MSE A 1 184 ? 9.892 32.797 44.880 1.00 51.13 ? 266 MSE A CE 1 ATOM 760 N N . ASN A 1 185 ? 12.561 37.358 48.044 1.00 76.26 ? 267 ASN A N 1 ATOM 761 C CA . ASN A 1 185 ? 13.268 37.180 49.311 1.00 84.92 ? 267 ASN A CA 1 ATOM 762 C C . ASN A 1 185 ? 13.466 35.699 49.623 1.00 87.65 ? 267 ASN A C 1 ATOM 763 O O . ASN A 1 185 ? 13.177 35.235 50.727 1.00 95.18 ? 267 ASN A O 1 ATOM 764 C CB . ASN A 1 185 ? 12.543 37.894 50.457 1.00 88.20 ? 267 ASN A CB 1 ATOM 765 C CG . ASN A 1 185 ? 13.393 38.004 51.711 1.00 92.20 ? 267 ASN A CG 1 ATOM 766 O OD1 . ASN A 1 185 ? 14.623 38.023 51.643 1.00 80.01 ? 267 ASN A OD1 1 ATOM 767 N ND2 . ASN A 1 185 ? 12.735 38.080 52.864 1.00 111.16 ? 267 ASN A ND2 1 ATOM 768 N N . ALA A 1 186 ? 13.956 34.960 48.633 1.00 78.89 ? 268 ALA A N 1 ATOM 769 C CA . ALA A 1 186 ? 14.167 33.525 48.774 1.00 75.70 ? 268 ALA A CA 1 ATOM 770 C C . ALA A 1 186 ? 15.404 33.069 48.009 1.00 65.75 ? 268 ALA A C 1 ATOM 771 O O . ALA A 1 186 ? 15.703 33.579 46.930 1.00 72.35 ? 268 ALA A O 1 ATOM 772 C CB . ALA A 1 186 ? 12.938 32.761 48.303 1.00 74.63 ? 268 ALA A CB 1 ATOM 773 N N . SER A 1 187 ? 16.113 32.096 48.571 1.00 54.89 ? 269 SER A N 1 ATOM 774 C CA . SER A 1 187 ? 17.318 31.568 47.946 1.00 52.41 ? 269 SER A CA 1 ATOM 775 C C . SER A 1 187 ? 16.998 30.310 47.149 1.00 59.25 ? 269 SER A C 1 ATOM 776 O O . SER A 1 187 ? 15.927 29.724 47.302 1.00 66.14 ? 269 SER A O 1 ATOM 777 C CB . SER A 1 187 ? 18.393 31.278 48.996 1.00 52.37 ? 269 SER A CB 1 ATOM 778 O OG . SER A 1 187 ? 18.776 32.461 49.676 1.00 53.85 ? 269 SER A OG 1 ATOM 779 N N . PHE A 1 188 ? 17.933 29.901 46.298 1.00 52.67 ? 270 PHE A N 1 ATOM 780 C CA . PHE A 1 188 ? 17.741 28.722 45.465 1.00 47.98 ? 270 PHE A CA 1 ATOM 781 C C . PHE A 1 188 ? 18.925 27.776 45.644 1.00 50.11 ? 270 PHE A C 1 ATOM 782 O O . PHE A 1 188 ? 20.073 28.211 45.736 1.00 48.82 ? 270 PHE A O 1 ATOM 783 C CB . PHE A 1 188 ? 17.576 29.120 43.996 1.00 49.56 ? 270 PHE A CB 1 ATOM 784 C CG . PHE A 1 188 ? 17.279 27.966 43.076 1.00 50.30 ? 270 PHE A CG 1 ATOM 785 C CD1 . PHE A 1 188 ? 15.968 27.626 42.785 1.00 51.08 ? 270 PHE A CD1 1 ATOM 786 C CD2 . PHE A 1 188 ? 18.301 27.234 42.493 1.00 56.13 ? 270 PHE A CD2 1 ATOM 787 C CE1 . PHE A 1 188 ? 15.679 26.573 41.937 1.00 55.74 ? 270 PHE A CE1 1 ATOM 788 C CE2 . PHE A 1 188 ? 18.019 26.176 41.645 1.00 57.72 ? 270 PHE A CE2 1 ATOM 789 C CZ . PHE A 1 188 ? 16.706 25.847 41.366 1.00 57.72 ? 270 PHE A CZ 1 ATOM 790 N N . SER A 1 189 ? 18.633 26.481 45.696 1.00 48.55 ? 271 SER A N 1 ATOM 791 C CA . SER A 1 189 ? 19.662 25.458 45.835 1.00 49.52 ? 271 SER A CA 1 ATOM 792 C C . SER A 1 189 ? 19.161 24.129 45.291 1.00 50.34 ? 271 SER A C 1 ATOM 793 O O . SER A 1 189 ? 17.954 23.898 45.205 1.00 51.75 ? 271 SER A O 1 ATOM 794 C CB . SER A 1 189 ? 20.071 25.298 47.300 1.00 58.91 ? 271 SER A CB 1 ATOM 795 O OG . SER A 1 189 ? 20.678 26.479 47.795 1.00 69.59 ? 271 SER A OG 1 ATOM 796 N N . LEU A 1 190 ? 20.093 23.257 44.922 1.00 47.08 ? 272 LEU A N 1 ATOM 797 C CA . LEU A 1 190 ? 19.737 21.951 44.387 1.00 51.59 ? 272 LEU A CA 1 ATOM 798 C C . LEU A 1 190 ? 19.111 21.078 45.468 1.00 65.93 ? 272 LEU A C 1 ATOM 799 O O . LEU A 1 190 ? 18.130 20.375 45.224 1.00 69.76 ? 272 LEU A O 1 ATOM 800 C CB . LEU A 1 190 ? 20.964 21.259 43.788 1.00 59.17 ? 272 LEU A CB 1 ATOM 801 C CG . LEU A 1 190 ? 21.760 22.051 42.744 1.00 63.96 ? 272 LEU A CG 1 ATOM 802 C CD1 . LEU A 1 190 ? 22.747 21.149 42.022 1.00 63.66 ? 272 LEU A CD1 1 ATOM 803 C CD2 . LEU A 1 190 ? 20.840 22.749 41.754 1.00 60.41 ? 272 LEU A CD2 1 ATOM 804 N N . LYS A 1 191 ? 19.688 21.129 46.664 1.00 71.55 ? 273 LYS A N 1 ATOM 805 C CA . LYS A 1 191 ? 19.143 20.427 47.820 1.00 65.34 ? 273 LYS A CA 1 ATOM 806 C C . LYS A 1 191 ? 18.311 21.392 48.659 1.00 73.77 ? 273 LYS A C 1 ATOM 807 O O . LYS A 1 191 ? 18.716 21.775 49.756 1.00 79.45 ? 273 LYS A O 1 ATOM 808 C CB . LYS A 1 191 ? 20.270 19.825 48.660 1.00 50.46 ? 273 LYS A CB 1 ATOM 809 N N . SER A 1 192 ? 17.149 21.783 48.145 1.00 70.86 ? 274 SER A N 1 ATOM 810 C CA . SER A 1 192 ? 16.305 22.756 48.832 1.00 65.28 ? 274 SER A CA 1 ATOM 811 C C . SER A 1 192 ? 14.848 22.645 48.402 1.00 66.36 ? 274 SER A C 1 ATOM 812 O O . SER A 1 192 ? 14.543 22.117 47.332 1.00 64.06 ? 274 SER A O 1 ATOM 813 C CB . SER A 1 192 ? 16.816 24.174 48.572 1.00 63.11 ? 274 SER A CB 1 ATOM 814 O OG . SER A 1 192 ? 15.972 25.139 49.175 1.00 66.74 ? 274 SER A OG 1 ATOM 815 N N . LYS A 1 193 ? 13.949 23.147 49.244 1.00 70.35 ? 275 LYS A N 1 ATOM 816 C CA . LYS A 1 193 ? 12.525 23.106 48.943 1.00 65.54 ? 275 LYS A CA 1 ATOM 817 C C . LYS A 1 193 ? 12.141 24.164 47.915 1.00 63.65 ? 275 LYS A C 1 ATOM 818 O O . LYS A 1 193 ? 11.124 24.036 47.234 1.00 67.21 ? 275 LYS A O 1 ATOM 819 C CB . LYS A 1 193 ? 11.707 23.301 50.222 1.00 58.16 ? 275 LYS A CB 1 ATOM 820 N N . GLU A 1 194 ? 12.953 25.211 47.805 1.00 60.21 ? 276 GLU A N 1 ATOM 821 C CA . GLU A 1 194 ? 12.683 26.273 46.844 1.00 58.31 ? 276 GLU A CA 1 ATOM 822 C C . GLU A 1 194 ? 12.930 25.813 45.410 1.00 61.72 ? 276 GLU A C 1 ATOM 823 O O . GLU A 1 194 ? 12.469 26.448 44.461 1.00 63.92 ? 276 GLU A O 1 ATOM 824 C CB . GLU A 1 194 ? 13.524 27.516 47.150 1.00 55.68 ? 276 GLU A CB 1 ATOM 825 C CG . GLU A 1 194 ? 12.926 28.440 48.200 1.00 65.98 ? 276 GLU A CG 1 ATOM 826 C CD . GLU A 1 194 ? 11.737 29.230 47.677 1.00 81.88 ? 276 GLU A CD 1 ATOM 827 O OE1 . GLU A 1 194 ? 11.489 29.199 46.452 1.00 78.67 ? 276 GLU A OE1 1 ATOM 828 O OE2 . GLU A 1 194 ? 11.052 29.885 48.490 1.00 95.19 ? 276 GLU A OE2 1 ATOM 829 N N . LYS A 1 195 ? 13.673 24.720 45.259 1.00 58.19 ? 277 LYS A N 1 ATOM 830 C CA . LYS A 1 195 ? 13.947 24.162 43.940 1.00 54.71 ? 277 LYS A CA 1 ATOM 831 C C . LYS A 1 195 ? 12.659 23.766 43.224 1.00 58.59 ? 277 LYS A C 1 ATOM 832 O O . LYS A 1 195 ? 12.520 23.960 42.016 1.00 69.93 ? 277 LYS A O 1 ATOM 833 C CB . LYS A 1 195 ? 14.861 22.940 44.054 1.00 49.67 ? 277 LYS A CB 1 ATOM 834 C CG . LYS A 1 195 ? 15.014 22.166 42.751 1.00 43.17 ? 277 LYS A CG 1 ATOM 835 C CD . LYS A 1 195 ? 15.415 20.721 42.991 1.00 41.68 ? 277 LYS A CD 1 ATOM 836 C CE . LYS A 1 195 ? 15.273 19.905 41.717 1.00 36.04 ? 277 LYS A CE 1 ATOM 837 N NZ . LYS A 1 195 ? 15.552 18.461 41.941 1.00 38.52 ? 277 LYS A NZ 1 ATOM 838 N N . PHE A 1 196 ? 11.713 23.223 43.984 1.00 55.11 ? 278 PHE A N 1 ATOM 839 C CA . PHE A 1 196 ? 10.465 22.727 43.417 1.00 55.07 ? 278 PHE A CA 1 ATOM 840 C C . PHE A 1 196 ? 9.423 23.831 43.269 1.00 58.77 ? 278 PHE A C 1 ATOM 841 O O . PHE A 1 196 ? 8.249 23.554 43.022 1.00 63.19 ? 278 PHE A O 1 ATOM 842 C CB . PHE A 1 196 ? 9.913 21.579 44.267 1.00 38.36 ? 278 PHE A CB 1 ATOM 843 C CG . PHE A 1 196 ? 10.821 20.384 44.338 1.00 46.24 ? 278 PHE A CG 1 ATOM 844 C CD1 . PHE A 1 196 ? 11.859 20.337 45.256 1.00 44.99 ? 278 PHE A CD1 1 ATOM 845 C CD2 . PHE A 1 196 ? 10.640 19.308 43.485 1.00 47.63 ? 278 PHE A CD2 1 ATOM 846 C CE1 . PHE A 1 196 ? 12.696 19.240 45.325 1.00 42.68 ? 278 PHE A CE1 1 ATOM 847 C CE2 . PHE A 1 196 ? 11.475 18.207 43.548 1.00 50.02 ? 278 PHE A CE2 1 ATOM 848 C CZ . PHE A 1 196 ? 12.505 18.174 44.470 1.00 45.86 ? 278 PHE A CZ 1 ATOM 849 N N . ASN A 1 197 ? 9.855 25.077 43.426 1.00 49.20 ? 279 ASN A N 1 ATOM 850 C CA . ASN A 1 197 ? 8.970 26.224 43.265 1.00 42.33 ? 279 ASN A CA 1 ATOM 851 C C . ASN A 1 197 ? 8.898 26.679 41.810 1.00 50.46 ? 279 ASN A C 1 ATOM 852 O O . ASN A 1 197 ? 9.903 27.102 41.236 1.00 57.53 ? 279 ASN A O 1 ATOM 853 C CB . ASN A 1 197 ? 9.421 27.375 44.165 1.00 39.54 ? 279 ASN A CB 1 ATOM 854 C CG . ASN A 1 197 ? 8.469 28.553 44.129 1.00 48.91 ? 279 ASN A CG 1 ATOM 855 O OD1 . ASN A 1 197 ? 7.310 28.421 43.737 1.00 45.97 ? 279 ASN A OD1 1 ATOM 856 N ND2 . ASN A 1 197 ? 8.954 29.713 44.546 1.00 57.88 ? 279 ASN A ND2 1 ATOM 857 N N . PRO A 1 198 ? 7.701 26.594 41.209 1.00 47.34 ? 280 PRO A N 1 ATOM 858 C CA . PRO A 1 198 ? 7.468 26.916 39.795 1.00 42.19 ? 280 PRO A CA 1 ATOM 859 C C . PRO A 1 198 ? 7.705 28.386 39.455 1.00 48.34 ? 280 PRO A C 1 ATOM 860 O O . PRO A 1 198 ? 7.712 28.738 38.276 1.00 55.28 ? 280 PRO A O 1 ATOM 861 C CB . PRO A 1 198 ? 5.989 26.569 39.597 1.00 44.27 ? 280 PRO A CB 1 ATOM 862 C CG . PRO A 1 198 ? 5.688 25.566 40.651 1.00 47.77 ? 280 PRO A CG 1 ATOM 863 C CD . PRO A 1 198 ? 6.516 25.978 41.832 1.00 39.03 ? 280 PRO A CD 1 ATOM 864 N N . LEU A 1 199 ? 7.894 29.228 40.466 1.00 55.42 ? 281 LEU A N 1 ATOM 865 C CA . LEU A 1 199 ? 8.109 30.653 40.234 1.00 57.91 ? 281 LEU A CA 1 ATOM 866 C C . LEU A 1 199 ? 9.530 30.952 39.763 1.00 54.85 ? 281 LEU A C 1 ATOM 867 O O . LEU A 1 199 ? 9.826 32.066 39.329 1.00 35.70 ? 281 LEU A O 1 ATOM 868 C CB . LEU A 1 199 ? 7.779 31.464 41.490 1.00 62.85 ? 281 LEU A CB 1 ATOM 869 C CG . LEU A 1 199 ? 6.549 32.371 41.415 1.00 65.05 ? 281 LEU A CG 1 ATOM 870 C CD1 . LEU A 1 199 ? 5.335 31.605 40.902 1.00 56.33 ? 281 LEU A CD1 1 ATOM 871 C CD2 . LEU A 1 199 ? 6.255 33.006 42.770 1.00 67.29 ? 281 LEU A CD2 1 ATOM 872 N N . TRP A 1 200 ? 10.404 29.953 39.847 1.00 51.50 ? 282 TRP A N 1 ATOM 873 C CA . TRP A 1 200 ? 11.788 30.116 39.419 1.00 49.13 ? 282 TRP A CA 1 ATOM 874 C C . TRP A 1 200 ? 11.941 29.866 37.924 1.00 44.62 ? 282 TRP A C 1 ATOM 875 O O . TRP A 1 200 ? 12.644 30.596 37.227 1.00 41.44 ? 282 TRP A O 1 ATOM 876 C CB . TRP A 1 200 ? 12.711 29.162 40.184 1.00 45.76 ? 282 TRP A CB 1 ATOM 877 C CG . TRP A 1 200 ? 12.873 29.477 41.638 1.00 46.99 ? 282 TRP A CG 1 ATOM 878 C CD1 . TRP A 1 200 ? 12.183 28.932 42.679 1.00 45.05 ? 282 TRP A CD1 1 ATOM 879 C CD2 . TRP A 1 200 ? 13.814 30.391 42.214 1.00 42.53 ? 282 TRP A CD2 1 ATOM 880 N NE1 . TRP A 1 200 ? 12.625 29.462 43.868 1.00 47.87 ? 282 TRP A NE1 1 ATOM 881 C CE2 . TRP A 1 200 ? 13.626 30.360 43.608 1.00 44.15 ? 282 TRP A CE2 1 ATOM 882 C CE3 . TRP A 1 200 ? 14.790 31.239 41.683 1.00 40.11 ? 282 TRP A CE3 1 ATOM 883 C CZ2 . TRP A 1 200 ? 14.380 31.143 44.480 1.00 49.03 ? 282 TRP A CZ2 1 ATOM 884 C CZ3 . TRP A 1 200 ? 15.538 32.015 42.549 1.00 43.62 ? 282 TRP A CZ3 1 ATOM 885 C CH2 . TRP A 1 200 ? 15.328 31.962 43.931 1.00 48.66 ? 282 TRP A CH2 1 ATOM 886 N N . TYR A 1 201 ? 11.276 28.823 37.445 1.00 39.15 ? 283 TYR A N 1 ATOM 887 C CA . TYR A 1 201 ? 11.416 28.381 36.063 1.00 33.86 ? 283 TYR A CA 1 ATOM 888 C C . TYR A 1 201 ? 10.572 29.209 35.104 1.00 45.61 ? 283 TYR A C 1 ATOM 889 O O . TYR A 1 201 ? 9.344 29.134 35.114 1.00 53.33 ? 283 TYR A O 1 ATOM 890 C CB . TYR A 1 201 ? 11.061 26.898 35.953 1.00 37.14 ? 283 TYR A CB 1 ATOM 891 C CG . TYR A 1 201 ? 11.884 26.038 36.884 1.00 44.95 ? 283 TYR A CG 1 ATOM 892 C CD1 . TYR A 1 201 ? 13.032 25.398 36.437 1.00 36.69 ? 283 TYR A CD1 1 ATOM 893 C CD2 . TYR A 1 201 ? 11.529 25.886 38.218 1.00 48.19 ? 283 TYR A CD2 1 ATOM 894 C CE1 . TYR A 1 201 ? 13.793 24.621 37.288 1.00 40.97 ? 283 TYR A CE1 1 ATOM 895 C CE2 . TYR A 1 201 ? 12.285 25.120 39.075 1.00 48.22 ? 283 TYR A CE2 1 ATOM 896 C CZ . TYR A 1 201 ? 13.414 24.484 38.606 1.00 52.90 ? 283 TYR A CZ 1 ATOM 897 O OH . TYR A 1 201 ? 14.168 23.713 39.460 1.00 59.25 ? 283 TYR A OH 1 ATOM 898 N N . LYS A 1 202 ? 11.245 29.998 34.275 1.00 46.26 ? 284 LYS A N 1 ATOM 899 C CA . LYS A 1 202 ? 10.579 30.790 33.252 1.00 43.54 ? 284 LYS A CA 1 ATOM 900 C C . LYS A 1 202 ? 10.707 30.114 31.895 1.00 41.29 ? 284 LYS A C 1 ATOM 901 O O . LYS A 1 202 ? 11.253 29.016 31.788 1.00 41.62 ? 284 LYS A O 1 ATOM 902 C CB . LYS A 1 202 ? 11.169 32.200 33.193 1.00 51.80 ? 284 LYS A CB 1 ATOM 903 C CG . LYS A 1 202 ? 10.941 33.027 34.447 1.00 64.52 ? 284 LYS A CG 1 ATOM 904 C CD . LYS A 1 202 ? 9.464 33.252 34.712 1.00 73.14 ? 284 LYS A CD 1 ATOM 905 C CE . LYS A 1 202 ? 9.255 34.122 35.941 1.00 73.64 ? 284 LYS A CE 1 ATOM 906 N NZ . LYS A 1 202 ? 9.895 35.459 35.792 1.00 75.27 ? 284 LYS A NZ 1 ATOM 907 N N . GLY A 1 203 ? 10.203 30.773 30.858 1.00 39.73 ? 285 GLY A N 1 ATOM 908 C CA . GLY A 1 203 ? 10.274 30.235 29.513 1.00 43.15 ? 285 GLY A CA 1 ATOM 909 C C . GLY A 1 203 ? 9.367 29.034 29.331 1.00 46.19 ? 285 GLY A C 1 ATOM 910 O O . GLY A 1 203 ? 8.402 28.857 30.073 1.00 51.79 ? 285 GLY A O 1 ATOM 911 N N . GLN A 1 204 ? 9.678 28.208 28.339 1.00 42.17 ? 286 GLN A N 1 ATOM 912 C CA . GLN A 1 204 ? 8.877 27.026 28.046 1.00 46.18 ? 286 GLN A CA 1 ATOM 913 C C . GLN A 1 204 ? 9.758 25.878 27.559 1.00 46.58 ? 286 GLN A C 1 ATOM 914 O O . GLN A 1 204 ? 10.224 25.890 26.420 1.00 48.47 ? 286 GLN A O 1 ATOM 915 C CB . GLN A 1 204 ? 7.801 27.355 27.008 1.00 42.74 ? 286 GLN A CB 1 ATOM 916 C CG . GLN A 1 204 ? 6.995 26.163 26.525 1.00 43.88 ? 286 GLN A CG 1 ATOM 917 C CD . GLN A 1 204 ? 5.882 26.570 25.578 1.00 53.89 ? 286 GLN A CD 1 ATOM 918 O OE1 . GLN A 1 204 ? 5.120 27.494 25.860 1.00 59.00 ? 286 GLN A OE1 1 ATOM 919 N NE2 . GLN A 1 204 ? 5.789 25.886 24.442 1.00 54.30 ? 286 GLN A NE2 1 ATOM 920 N N . PRO A 1 205 ? 9.995 24.880 28.427 1.00 33.93 ? 287 PRO A N 1 ATOM 921 C CA . PRO A 1 205 ? 10.805 23.721 28.034 1.00 30.92 ? 287 PRO A CA 1 ATOM 922 C C . PRO A 1 205 ? 10.110 22.857 26.986 1.00 46.57 ? 287 PRO A C 1 ATOM 923 O O . PRO A 1 205 ? 8.904 22.989 26.783 1.00 52.69 ? 287 PRO A O 1 ATOM 924 C CB . PRO A 1 205 ? 10.978 22.950 29.346 1.00 30.25 ? 287 PRO A CB 1 ATOM 925 C CG . PRO A 1 205 ? 9.860 23.398 30.210 1.00 34.95 ? 287 PRO A CG 1 ATOM 926 C CD . PRO A 1 205 ? 9.593 24.822 29.842 1.00 33.91 ? 287 PRO A CD 1 ATOM 927 N N . ILE A 1 206 ? 10.877 21.990 26.331 1.00 53.54 ? 288 ILE A N 1 ATOM 928 C CA . ILE A 1 206 ? 10.383 21.205 25.204 1.00 50.56 ? 288 ILE A CA 1 ATOM 929 C C . ILE A 1 206 ? 9.230 20.268 25.581 1.00 51.90 ? 288 ILE A C 1 ATOM 930 O O . ILE A 1 206 ? 8.306 20.068 24.790 1.00 54.05 ? 288 ILE A O 1 ATOM 931 C CB . ILE A 1 206 ? 11.533 20.421 24.520 1.00 33.35 ? 288 ILE A CB 1 ATOM 932 C CG1 . ILE A 1 206 ? 11.029 19.711 23.263 1.00 46.20 ? 288 ILE A CG1 1 ATOM 933 C CG2 . ILE A 1 206 ? 12.178 19.435 25.485 1.00 27.51 ? 288 ILE A CG2 1 ATOM 934 C CD1 . ILE A 1 206 ? 11.083 20.564 22.019 1.00 50.51 ? 288 ILE A CD1 1 ATOM 935 N N . TRP A 1 207 ? 9.276 19.701 26.784 1.00 49.36 ? 289 TRP A N 1 ATOM 936 C CA . TRP A 1 207 ? 8.227 18.778 27.210 1.00 49.99 ? 289 TRP A CA 1 ATOM 937 C C . TRP A 1 207 ? 6.900 19.500 27.429 1.00 52.59 ? 289 TRP A C 1 ATOM 938 O O . TRP A 1 207 ? 5.832 18.910 27.272 1.00 61.54 ? 289 TRP A O 1 ATOM 939 C CB . TRP A 1 207 ? 8.642 17.988 28.459 1.00 50.33 ? 289 TRP A CB 1 ATOM 940 C CG . TRP A 1 207 ? 9.067 18.830 29.628 1.00 54.16 ? 289 TRP A CG 1 ATOM 941 C CD1 . TRP A 1 207 ? 8.255 19.537 30.467 1.00 56.76 ? 289 TRP A CD1 1 ATOM 942 C CD2 . TRP A 1 207 ? 10.404 19.030 30.105 1.00 54.51 ? 289 TRP A CD2 1 ATOM 943 N NE1 . TRP A 1 207 ? 9.003 20.176 31.425 1.00 59.34 ? 289 TRP A NE1 1 ATOM 944 C CE2 . TRP A 1 207 ? 10.326 19.880 31.226 1.00 54.77 ? 289 TRP A CE2 1 ATOM 945 C CE3 . TRP A 1 207 ? 11.661 18.578 29.689 1.00 50.82 ? 289 TRP A CE3 1 ATOM 946 C CZ2 . TRP A 1 207 ? 11.454 20.288 31.935 1.00 50.59 ? 289 TRP A CZ2 1 ATOM 947 C CZ3 . TRP A 1 207 ? 12.780 18.984 30.395 1.00 42.03 ? 289 TRP A CZ3 1 ATOM 948 C CH2 . TRP A 1 207 ? 12.668 19.830 31.505 1.00 46.60 ? 289 TRP A CH2 1 ATOM 949 N N . VAL A 1 208 ? 6.975 20.775 27.796 1.00 45.58 ? 290 VAL A N 1 ATOM 950 C CA . VAL A 1 208 ? 5.787 21.613 27.915 1.00 54.02 ? 290 VAL A CA 1 ATOM 951 C C . VAL A 1 208 ? 5.268 21.950 26.521 1.00 52.19 ? 290 VAL A C 1 ATOM 952 O O . VAL A 1 208 ? 4.063 21.929 26.267 1.00 51.23 ? 290 VAL A O 1 ATOM 953 C CB . VAL A 1 208 ? 6.086 22.911 28.692 1.00 53.52 ? 290 VAL A CB 1 ATOM 954 C CG1 . VAL A 1 208 ? 4.908 23.873 28.613 1.00 39.75 ? 290 VAL A CG1 1 ATOM 955 C CG2 . VAL A 1 208 ? 6.419 22.592 30.139 1.00 55.83 ? 290 VAL A CG2 1 ATOM 956 N N . THR A 1 209 ? 6.198 22.249 25.619 1.00 50.50 ? 291 THR A N 1 ATOM 957 C CA . THR A 1 209 ? 5.878 22.543 24.227 1.00 58.12 ? 291 THR A CA 1 ATOM 958 C C . THR A 1 209 ? 5.217 21.345 23.557 1.00 60.66 ? 291 THR A C 1 ATOM 959 O O . THR A 1 209 ? 4.229 21.488 22.836 1.00 65.26 ? 291 THR A O 1 ATOM 960 C CB . THR A 1 209 ? 7.144 22.934 23.437 1.00 56.49 ? 291 THR A CB 1 ATOM 961 O OG1 . THR A 1 209 ? 7.746 24.089 24.035 1.00 55.52 ? 291 THR A OG1 1 ATOM 962 C CG2 . THR A 1 209 ? 6.802 23.245 21.989 1.00 53.45 ? 291 THR A CG2 1 ATOM 963 N N . ALA A 1 210 ? 5.776 20.164 23.799 1.00 53.06 ? 292 ALA A N 1 ATOM 964 C CA . ALA A 1 210 ? 5.250 18.924 23.241 1.00 49.67 ? 292 ALA A CA 1 ATOM 965 C C . ALA A 1 210 ? 3.842 18.642 23.759 1.00 55.73 ? 292 ALA A C 1 ATOM 966 O O . ALA A 1 210 ? 2.999 18.112 23.036 1.00 59.27 ? 292 ALA A O 1 ATOM 967 C CB . ALA A 1 210 ? 6.175 17.765 23.569 1.00 45.71 ? 292 ALA A CB 1 ATOM 968 N N . ASN A 1 211 ? 3.599 18.994 25.017 1.00 53.27 ? 293 ASN A N 1 ATOM 969 C CA . ASN A 1 211 ? 2.302 18.768 25.646 1.00 43.52 ? 293 ASN A CA 1 ATOM 970 C C . ASN A 1 211 ? 1.190 19.610 25.026 1.00 46.46 ? 293 ASN A C 1 ATOM 971 O O . ASN A 1 211 ? 0.060 19.143 24.877 1.00 50.88 ? 293 ASN A O 1 ATOM 972 C CB . ASN A 1 211 ? 2.391 19.036 27.149 1.00 43.54 ? 293 ASN A CB 1 ATOM 973 C CG . ASN A 1 211 ? 1.084 18.762 27.868 1.00 54.06 ? 293 ASN A CG 1 ATOM 974 O OD1 . ASN A 1 211 ? 0.263 19.661 28.052 1.00 59.54 ? 293 ASN A OD1 1 ATOM 975 N ND2 . ASN A 1 211 ? 0.884 17.515 28.278 1.00 55.85 ? 293 ASN A ND2 1 ATOM 976 N N . HIS A 1 212 ? 1.513 20.849 24.666 1.00 41.13 ? 294 HIS A N 1 ATOM 977 C CA . HIS A 1 212 ? 0.540 21.751 24.054 1.00 38.66 ? 294 HIS A CA 1 ATOM 978 C C . HIS A 1 212 ? 0.174 21.313 22.643 1.00 45.75 ? 294 HIS A C 1 ATOM 979 O O . HIS A 1 212 ? -0.881 21.674 22.125 1.00 61.63 ? 294 HIS A O 1 ATOM 980 C CB . HIS A 1 212 ? 1.078 23.183 24.022 1.00 45.47 ? 294 HIS A CB 1 ATOM 981 C CG . HIS A 1 212 ? 1.236 23.808 25.372 1.00 59.05 ? 294 HIS A CG 1 ATOM 982 N ND1 . HIS A 1 212 ? 1.609 25.124 25.539 1.00 63.30 ? 294 HIS A ND1 1 ATOM 983 C CD2 . HIS A 1 212 ? 1.062 23.305 26.617 1.00 60.54 ? 294 HIS A CD2 1 ATOM 984 C CE1 . HIS A 1 212 ? 1.664 25.404 26.829 1.00 63.47 ? 294 HIS A CE1 1 ATOM 985 N NE2 . HIS A 1 212 ? 1.337 24.317 27.505 1.00 61.24 ? 294 HIS A NE2 1 ATOM 986 N N . GLN A 1 213 ? 1.051 20.531 22.025 1.00 40.82 ? 295 GLN A N 1 ATOM 987 C CA . GLN A 1 213 ? 0.822 20.056 20.668 1.00 47.08 ? 295 GLN A CA 1 ATOM 988 C C . GLN A 1 213 ? 0.581 18.551 20.639 1.00 55.15 ? 295 GLN A C 1 ATOM 989 O O . GLN A 1 213 ? 0.857 17.882 19.641 1.00 41.03 ? 295 GLN A O 1 ATOM 990 C CB . GLN A 1 213 ? 1.990 20.453 19.767 1.00 47.58 ? 295 GLN A CB 1 ATOM 991 C CG . GLN A 1 213 ? 2.145 21.961 19.639 1.00 44.87 ? 295 GLN A CG 1 ATOM 992 C CD . GLN A 1 213 ? 3.489 22.374 19.078 1.00 48.28 ? 295 GLN A CD 1 ATOM 993 O OE1 . GLN A 1 213 ? 3.862 21.977 17.975 1.00 50.95 ? 295 GLN A OE1 1 ATOM 994 N NE2 . GLN A 1 213 ? 4.221 23.185 19.833 1.00 47.83 ? 295 GLN A NE2 1 ATOM 995 N N . GLU A 1 214 ? 0.073 18.036 21.756 1.00 65.20 ? 296 GLU A N 1 ATOM 996 C CA . GLU A 1 214 ? -0.357 16.645 21.877 1.00 63.50 ? 296 GLU A CA 1 ATOM 997 C C . GLU A 1 214 ? 0.755 15.637 21.600 1.00 53.27 ? 296 GLU A C 1 ATOM 998 O O . GLU A 1 214 ? 0.579 14.700 20.821 1.00 52.69 ? 296 GLU A O 1 ATOM 999 C CB . GLU A 1 214 ? -1.567 16.376 20.977 1.00 68.92 ? 296 GLU A CB 1 ATOM 1000 C CG . GLU A 1 214 ? -2.732 17.324 21.225 1.00 74.63 ? 296 GLU A CG 1 ATOM 1001 C CD . GLU A 1 214 ? -3.881 17.110 20.259 1.00 83.73 ? 296 GLU A CD 1 ATOM 1002 O OE1 . GLU A 1 214 ? -3.834 16.135 19.480 1.00 88.27 ? 296 GLU A OE1 1 ATOM 1003 O OE2 . GLU A 1 214 ? -4.832 17.920 20.278 1.00 87.14 ? 296 GLU A OE2 1 ATOM 1004 N N . VAL A 1 215 ? 1.898 15.839 22.246 1.00 43.06 ? 297 VAL A N 1 ATOM 1005 C CA . VAL A 1 215 ? 3.012 14.906 22.141 1.00 46.48 ? 297 VAL A CA 1 ATOM 1006 C C . VAL A 1 215 ? 3.496 14.481 23.524 1.00 55.34 ? 297 VAL A C 1 ATOM 1007 O O . VAL A 1 215 ? 3.926 15.311 24.324 1.00 57.26 ? 297 VAL A O 1 ATOM 1008 C CB . VAL A 1 215 ? 4.187 15.507 21.344 1.00 46.85 ? 297 VAL A CB 1 ATOM 1009 C CG1 . VAL A 1 215 ? 5.399 14.594 21.413 1.00 47.28 ? 297 VAL A CG1 1 ATOM 1010 C CG2 . VAL A 1 215 ? 3.782 15.758 19.900 1.00 25.18 ? 297 VAL A CG2 1 ATOM 1011 N N . LYS A 1 216 ? 3.419 13.183 23.799 1.00 55.98 ? 298 LYS A N 1 ATOM 1012 C CA . LYS A 1 216 ? 3.803 12.646 25.099 1.00 52.16 ? 298 LYS A CA 1 ATOM 1013 C C . LYS A 1 216 ? 5.316 12.688 25.302 1.00 45.48 ? 298 LYS A C 1 ATOM 1014 O O . LYS A 1 216 ? 6.079 12.577 24.344 1.00 32.80 ? 298 LYS A O 1 ATOM 1015 C CB . LYS A 1 216 ? 3.283 11.217 25.264 1.00 51.58 ? 298 LYS A CB 1 ATOM 1016 N N . SER A 1 217 ? 5.744 12.847 26.550 1.00 48.72 ? 299 SER A N 1 ATOM 1017 C CA . SER A 1 217 ? 7.165 12.945 26.865 1.00 47.10 ? 299 SER A CA 1 ATOM 1018 C C . SER A 1 217 ? 7.490 12.225 28.170 1.00 45.52 ? 299 SER A C 1 ATOM 1019 O O . SER A 1 217 ? 6.810 12.411 29.180 1.00 42.54 ? 299 SER A O 1 ATOM 1020 C CB . SER A 1 217 ? 7.595 14.413 26.940 1.00 47.05 ? 299 SER A CB 1 ATOM 1021 O OG . SER A 1 217 ? 6.769 15.149 27.828 1.00 45.97 ? 299 SER A OG 1 ATOM 1022 N N . GLY A 1 218 ? 8.536 11.405 28.139 1.00 41.94 ? 300 GLY A N 1 ATOM 1023 C CA . GLY A 1 218 ? 8.972 10.669 29.311 1.00 41.70 ? 300 GLY A CA 1 ATOM 1024 C C . GLY A 1 218 ? 10.403 10.996 29.692 1.00 50.01 ? 300 GLY A C 1 ATOM 1025 O O . GLY A 1 218 ? 11.344 10.594 29.011 1.00 50.98 ? 300 GLY A O 1 ATOM 1026 N N . THR A 1 219 ? 10.568 11.720 30.793 1.00 59.39 ? 301 THR A N 1 ATOM 1027 C CA . THR A 1 219 ? 11.883 12.191 31.218 1.00 62.10 ? 301 THR A CA 1 ATOM 1028 C C . THR A 1 219 ? 12.429 11.430 32.424 1.00 64.45 ? 301 THR A C 1 ATOM 1029 O O . THR A 1 219 ? 11.680 10.779 33.152 1.00 70.79 ? 301 THR A O 1 ATOM 1030 C CB . THR A 1 219 ? 11.836 13.686 31.566 1.00 74.22 ? 301 THR A CB 1 ATOM 1031 O OG1 . THR A 1 219 ? 13.160 14.154 31.851 1.00 89.71 ? 301 THR A OG1 1 ATOM 1032 C CG2 . THR A 1 219 ? 10.947 13.913 32.774 1.00 74.95 ? 301 THR A CG2 1 ATOM 1033 N N . TYR A 1 220 ? 13.742 11.518 32.623 1.00 66.62 ? 302 TYR A N 1 ATOM 1034 C CA . TYR A 1 220 ? 14.408 10.873 33.752 1.00 58.05 ? 302 TYR A CA 1 ATOM 1035 C C . TYR A 1 220 ? 15.556 11.727 34.285 1.00 61.54 ? 302 TYR A C 1 ATOM 1036 O O . TYR A 1 220 ? 16.636 11.774 33.697 1.00 64.85 ? 302 TYR A O 1 ATOM 1037 C CB . TYR A 1 220 ? 14.927 9.490 33.351 1.00 46.60 ? 302 TYR A CB 1 ATOM 1038 C CG . TYR A 1 220 ? 14.999 8.497 34.494 1.00 60.37 ? 302 TYR A CG 1 ATOM 1039 C CD1 . TYR A 1 220 ? 16.109 8.449 35.327 1.00 65.58 ? 302 TYR A CD1 1 ATOM 1040 C CD2 . TYR A 1 220 ? 13.964 7.605 34.736 1.00 71.14 ? 302 TYR A CD2 1 ATOM 1041 C CE1 . TYR A 1 220 ? 16.183 7.543 36.371 1.00 64.86 ? 302 TYR A CE1 1 ATOM 1042 C CE2 . TYR A 1 220 ? 14.028 6.695 35.777 1.00 67.50 ? 302 TYR A CE2 1 ATOM 1043 C CZ . TYR A 1 220 ? 15.139 6.669 36.591 1.00 60.66 ? 302 TYR A CZ 1 ATOM 1044 O OH . TYR A 1 220 ? 15.208 5.766 37.628 1.00 45.11 ? 302 TYR A OH 1 ATOM 1045 N N . PHE A 1 221 ? 15.295 12.406 35.398 1.00 62.66 ? 303 PHE A N 1 ATOM 1046 C CA . PHE A 1 221 ? 16.286 13.221 36.103 1.00 69.26 ? 303 PHE A CA 1 ATOM 1047 C C . PHE A 1 221 ? 16.826 14.402 35.297 1.00 73.48 ? 303 PHE A C 1 ATOM 1048 O O . PHE A 1 221 ? 18.032 14.641 35.273 1.00 86.00 ? 303 PHE A O 1 ATOM 1049 C CB . PHE A 1 221 ? 17.457 12.365 36.603 1.00 70.85 ? 303 PHE A CB 1 ATOM 1050 C CG . PHE A 1 221 ? 17.072 11.353 37.645 1.00 76.12 ? 303 PHE A CG 1 ATOM 1051 C CD1 . PHE A 1 221 ? 15.871 11.460 38.326 1.00 77.17 ? 303 PHE A CD1 1 ATOM 1052 C CD2 . PHE A 1 221 ? 17.922 10.303 37.954 1.00 80.94 ? 303 PHE A CD2 1 ATOM 1053 C CE1 . PHE A 1 221 ? 15.519 10.532 39.286 1.00 85.49 ? 303 PHE A CE1 1 ATOM 1054 C CE2 . PHE A 1 221 ? 17.576 9.373 38.916 1.00 85.93 ? 303 PHE A CE2 1 ATOM 1055 C CZ . PHE A 1 221 ? 16.373 9.488 39.582 1.00 88.47 ? 303 PHE A CZ 1 ATOM 1056 N N . TRP A 1 222 ? 15.935 15.148 34.654 1.00 58.64 ? 304 TRP A N 1 ATOM 1057 C CA . TRP A 1 222 ? 16.335 16.373 33.971 1.00 42.98 ? 304 TRP A CA 1 ATOM 1058 C C . TRP A 1 222 ? 15.880 17.601 34.757 1.00 39.53 ? 304 TRP A C 1 ATOM 1059 O O . TRP A 1 222 ? 14.751 17.650 35.233 1.00 42.33 ? 304 TRP A O 1 ATOM 1060 C CB . TRP A 1 222 ? 15.776 16.424 32.547 1.00 34.79 ? 304 TRP A CB 1 ATOM 1061 C CG . TRP A 1 222 ? 16.427 17.491 31.714 1.00 43.77 ? 304 TRP A CG 1 ATOM 1062 C CD1 . TRP A 1 222 ? 16.063 18.805 31.636 1.00 42.37 ? 304 TRP A CD1 1 ATOM 1063 C CD2 . TRP A 1 222 ? 17.569 17.341 30.862 1.00 41.20 ? 304 TRP A CD2 1 ATOM 1064 N NE1 . TRP A 1 222 ? 16.902 19.479 30.782 1.00 34.93 ? 304 TRP A NE1 1 ATOM 1065 C CE2 . TRP A 1 222 ? 17.835 18.603 30.294 1.00 31.69 ? 304 TRP A CE2 1 ATOM 1066 C CE3 . TRP A 1 222 ? 18.390 16.261 30.521 1.00 39.91 ? 304 TRP A CE3 1 ATOM 1067 C CZ2 . TRP A 1 222 ? 18.886 18.814 29.402 1.00 30.28 ? 304 TRP A CZ2 1 ATOM 1068 C CZ3 . TRP A 1 222 ? 19.430 16.473 29.636 1.00 33.14 ? 304 TRP A CZ3 1 ATOM 1069 C CH2 . TRP A 1 222 ? 19.672 17.739 29.090 1.00 29.38 ? 304 TRP A CH2 1 ATOM 1070 N N . PRO A 1 223 ? 16.776 18.587 34.917 1.00 36.21 ? 305 PRO A N 1 ATOM 1071 C CA . PRO A 1 223 ? 16.495 19.831 35.641 1.00 36.18 ? 305 PRO A CA 1 ATOM 1072 C C . PRO A 1 223 ? 15.249 20.536 35.112 1.00 36.72 ? 305 PRO A C 1 ATOM 1073 O O . PRO A 1 223 ? 15.221 20.971 33.961 1.00 43.11 ? 305 PRO A O 1 ATOM 1074 C CB . PRO A 1 223 ? 17.740 20.674 35.370 1.00 28.80 ? 305 PRO A CB 1 ATOM 1075 C CG . PRO A 1 223 ? 18.817 19.668 35.201 1.00 27.50 ? 305 PRO A CG 1 ATOM 1076 C CD . PRO A 1 223 ? 18.179 18.519 34.475 1.00 34.43 ? 305 PRO A CD 1 ATOM 1077 N N . GLY A 1 224 ? 14.228 20.640 35.957 1.00 37.54 ? 306 GLY A N 1 ATOM 1078 C CA . GLY A 1 224 ? 12.984 21.284 35.582 1.00 42.60 ? 306 GLY A CA 1 ATOM 1079 C C . GLY A 1 224 ? 11.878 20.276 35.342 1.00 50.68 ? 306 GLY A C 1 ATOM 1080 O O . GLY A 1 224 ? 10.728 20.647 35.102 1.00 59.99 ? 306 GLY A O 1 ATOM 1081 N N . SER A 1 225 ? 12.225 18.994 35.408 1.00 47.94 ? 307 SER A N 1 ATOM 1082 C CA . SER A 1 225 ? 11.250 17.929 35.207 1.00 49.17 ? 307 SER A CA 1 ATOM 1083 C C . SER A 1 225 ? 10.462 17.653 36.481 1.00 61.93 ? 307 SER A C 1 ATOM 1084 O O . SER A 1 225 ? 9.293 17.273 36.423 1.00 69.37 ? 307 SER A O 1 ATOM 1085 C CB . SER A 1 225 ? 11.936 16.649 34.735 1.00 46.23 ? 307 SER A CB 1 ATOM 1086 O OG . SER A 1 225 ? 12.830 16.914 33.668 1.00 56.73 ? 307 SER A OG 1 ATOM 1087 N N . ASP A 1 226 ? 11.106 17.832 37.631 1.00 61.00 ? 308 ASP A N 1 ATOM 1088 C CA . ASP A 1 226 ? 10.425 17.616 38.900 1.00 53.91 ? 308 ASP A CA 1 ATOM 1089 C C . ASP A 1 226 ? 9.373 18.695 39.130 1.00 55.58 ? 308 ASP A C 1 ATOM 1090 O O . ASP A 1 226 ? 8.282 18.420 39.625 1.00 62.69 ? 308 ASP A O 1 ATOM 1091 C CB . ASP A 1 226 ? 11.416 17.599 40.067 1.00 51.76 ? 308 ASP A CB 1 ATOM 1092 C CG . ASP A 1 226 ? 12.780 17.067 39.670 1.00 58.54 ? 308 ASP A CG 1 ATOM 1093 O OD1 . ASP A 1 226 ? 13.486 16.522 40.545 1.00 60.87 ? 308 ASP A OD1 1 ATOM 1094 O OD2 . ASP A 1 226 ? 13.153 17.201 38.485 1.00 59.30 ? 308 ASP A OD2 1 ATOM 1095 N N . VAL A 1 227 ? 9.714 19.926 38.767 1.00 53.13 ? 309 VAL A N 1 ATOM 1096 C CA . VAL A 1 227 ? 8.804 21.052 38.926 1.00 55.71 ? 309 VAL A CA 1 ATOM 1097 C C . VAL A 1 227 ? 7.836 21.161 37.753 1.00 59.98 ? 309 VAL A C 1 ATOM 1098 O O . VAL A 1 227 ? 8.196 20.858 36.616 1.00 73.54 ? 309 VAL A O 1 ATOM 1099 C CB . VAL A 1 227 ? 9.592 22.364 39.036 1.00 63.06 ? 309 VAL A CB 1 ATOM 1100 C CG1 . VAL A 1 227 ? 8.755 23.434 39.721 1.00 71.17 ? 309 VAL A CG1 1 ATOM 1101 C CG2 . VAL A 1 227 ? 10.888 22.121 39.791 1.00 66.94 ? 309 VAL A CG2 1 ATOM 1102 N N . GLU A 1 228 ? 6.608 21.590 38.025 1.00 62.04 ? 310 GLU A N 1 ATOM 1103 C CA . GLU A 1 228 ? 5.631 21.783 36.962 1.00 71.09 ? 310 GLU A CA 1 ATOM 1104 C C . GLU A 1 228 ? 5.695 23.223 36.463 1.00 72.50 ? 310 GLU A C 1 ATOM 1105 O O . GLU A 1 228 ? 5.524 24.168 37.234 1.00 76.40 ? 310 GLU A O 1 ATOM 1106 C CB . GLU A 1 228 ? 4.215 21.437 37.433 1.00 78.94 ? 310 GLU A CB 1 ATOM 1107 C CG . GLU A 1 228 ? 3.872 21.859 38.848 1.00 85.21 ? 310 GLU A CG 1 ATOM 1108 C CD . GLU A 1 228 ? 2.500 21.365 39.269 1.00 93.24 ? 310 GLU A CD 1 ATOM 1109 O OE1 . GLU A 1 228 ? 1.846 20.670 38.462 1.00 96.02 ? 310 GLU A OE1 1 ATOM 1110 O OE2 . GLU A 1 228 ? 2.076 21.667 40.405 1.00 93.26 ? 310 GLU A OE2 1 ATOM 1111 N N . ILE A 1 229 ? 5.945 23.382 35.169 1.00 66.44 ? 311 ILE A N 1 ATOM 1112 C CA . ILE A 1 229 ? 5.997 24.698 34.545 1.00 66.70 ? 311 ILE A CA 1 ATOM 1113 C C . ILE A 1 229 ? 4.734 24.941 33.728 1.00 70.62 ? 311 ILE A C 1 ATOM 1114 O O . ILE A 1 229 ? 4.347 24.102 32.915 1.00 74.91 ? 311 ILE A O 1 ATOM 1115 C CB . ILE A 1 229 ? 7.223 24.830 33.625 1.00 64.82 ? 311 ILE A CB 1 ATOM 1116 C CG1 . ILE A 1 229 ? 8.496 24.426 34.373 1.00 52.16 ? 311 ILE A CG1 1 ATOM 1117 C CG2 . ILE A 1 229 ? 7.347 26.255 33.102 1.00 72.25 ? 311 ILE A CG2 1 ATOM 1118 N N . ASP A 1 230 ? 4.099 26.090 33.955 1.00 70.55 ? 312 ASP A N 1 ATOM 1119 C CA . ASP A 1 230 ? 2.833 26.436 33.309 1.00 72.48 ? 312 ASP A CA 1 ATOM 1120 C C . ASP A 1 230 ? 1.754 25.381 33.571 1.00 64.19 ? 312 ASP A C 1 ATOM 1121 O O . ASP A 1 230 ? 0.883 25.139 32.735 1.00 60.11 ? 312 ASP A O 1 ATOM 1122 C CB . ASP A 1 230 ? 3.036 26.656 31.804 1.00 79.90 ? 312 ASP A CB 1 ATOM 1123 C CG . ASP A 1 230 ? 1.891 27.415 31.160 1.00 86.01 ? 312 ASP A CG 1 ATOM 1124 O OD1 . ASP A 1 230 ? 1.248 28.231 31.854 1.00 82.73 ? 312 ASP A OD1 1 ATOM 1125 O OD2 . ASP A 1 230 ? 1.636 27.194 29.957 1.00 90.74 ? 312 ASP A OD2 1 ATOM 1126 N N . GLY A 1 231 ? 1.833 24.755 34.742 1.00 57.30 ? 313 GLY A N 1 ATOM 1127 C CA . GLY A 1 231 ? 0.885 23.733 35.151 1.00 58.92 ? 313 GLY A CA 1 ATOM 1128 C C . GLY A 1 231 ? 0.983 22.454 34.346 1.00 58.84 ? 313 GLY A C 1 ATOM 1129 O O . GLY A 1 231 ? 0.039 21.663 34.290 1.00 55.30 ? 313 GLY A O 1 ATOM 1130 N N . ILE A 1 232 ? 2.135 22.254 33.715 1.00 56.14 ? 314 ILE A N 1 ATOM 1131 C CA . ILE A 1 232 ? 2.354 21.086 32.873 1.00 58.51 ? 314 ILE A CA 1 ATOM 1132 C C . ILE A 1 232 ? 3.486 20.211 33.402 1.00 59.98 ? 314 ILE A C 1 ATOM 1133 O O . ILE A 1 232 ? 4.543 20.713 33.787 1.00 55.93 ? 314 ILE A O 1 ATOM 1134 C CB . ILE A 1 232 ? 2.670 21.494 31.421 1.00 65.01 ? 314 ILE A CB 1 ATOM 1135 C CG1 . ILE A 1 232 ? 1.548 22.370 30.860 1.00 77.32 ? 314 ILE A CG1 1 ATOM 1136 C CG2 . ILE A 1 232 ? 2.849 20.265 30.546 1.00 61.25 ? 314 ILE A CG2 1 ATOM 1137 C CD1 . ILE A 1 232 ? 0.213 21.657 30.762 1.00 84.68 ? 314 ILE A CD1 1 ATOM 1138 N N . LEU A 1 233 ? 3.259 18.902 33.418 1.00 67.09 ? 315 LEU A N 1 ATOM 1139 C CA . LEU A 1 233 ? 4.288 17.952 33.813 1.00 64.15 ? 315 LEU A CA 1 ATOM 1140 C C . LEU A 1 233 ? 4.430 16.919 32.707 1.00 62.89 ? 315 LEU A C 1 ATOM 1141 O O . LEU A 1 233 ? 3.447 16.574 32.051 1.00 66.65 ? 315 LEU A O 1 ATOM 1142 C CB . LEU A 1 233 ? 3.918 17.267 35.131 1.00 62.50 ? 315 LEU A CB 1 ATOM 1143 C CG . LEU A 1 233 ? 4.395 17.913 36.434 1.00 66.78 ? 315 LEU A CG 1 ATOM 1144 C CD1 . LEU A 1 233 ? 4.052 17.031 37.626 1.00 68.20 ? 315 LEU A CD1 1 ATOM 1145 C CD2 . LEU A 1 233 ? 5.889 18.184 36.380 1.00 64.14 ? 315 LEU A CD2 1 ATOM 1146 N N . PRO A 1 234 ? 5.658 16.426 32.491 1.00 60.21 ? 316 PRO A N 1 ATOM 1147 C CA . PRO A 1 234 ? 5.889 15.359 31.513 1.00 56.19 ? 316 PRO A CA 1 ATOM 1148 C C . PRO A 1 234 ? 5.068 14.120 31.843 1.00 56.30 ? 316 PRO A C 1 ATOM 1149 O O . PRO A 1 234 ? 4.889 13.808 33.020 1.00 62.39 ? 316 PRO A O 1 ATOM 1150 C CB . PRO A 1 234 ? 7.390 15.071 31.653 1.00 53.57 ? 316 PRO A CB 1 ATOM 1151 C CG . PRO A 1 234 ? 7.802 15.706 32.946 1.00 52.89 ? 316 PRO A CG 1 ATOM 1152 C CD . PRO A 1 234 ? 6.909 16.882 33.116 1.00 59.61 ? 316 PRO A CD 1 ATOM 1153 N N . ASP A 1 235 ? 4.568 13.441 30.814 1.00 55.73 ? 317 ASP A N 1 ATOM 1154 C CA . ASP A 1 235 ? 3.673 12.301 30.994 1.00 52.75 ? 317 ASP A CA 1 ATOM 1155 C C . ASP A 1 235 ? 4.301 11.219 31.868 1.00 47.34 ? 317 ASP A C 1 ATOM 1156 O O . ASP A 1 235 ? 3.606 10.513 32.598 1.00 48.68 ? 317 ASP A O 1 ATOM 1157 C CB . ASP A 1 235 ? 3.252 11.734 29.638 1.00 48.47 ? 317 ASP A CB 1 ATOM 1158 C CG . ASP A 1 235 ? 2.621 12.782 28.740 1.00 49.38 ? 317 ASP A CG 1 ATOM 1159 O OD1 . ASP A 1 235 ? 1.781 12.414 27.892 1.00 53.87 ? 317 ASP A OD1 1 ATOM 1160 O OD2 . ASP A 1 235 ? 2.964 13.975 28.886 1.00 47.34 ? 317 ASP A OD2 1 ATOM 1161 N N . ILE A 1 236 ? 5.623 11.100 31.787 1.00 43.43 ? 318 ILE A N 1 ATOM 1162 C CA . ILE A 1 236 ? 6.375 10.224 32.676 1.00 48.61 ? 318 ILE A CA 1 ATOM 1163 C C . ILE A 1 236 ? 7.603 10.943 33.219 1.00 42.22 ? 318 ILE A C 1 ATOM 1164 O O . ILE A 1 236 ? 8.510 11.297 32.467 1.00 36.69 ? 318 ILE A O 1 ATOM 1165 C CB . ILE A 1 236 ? 6.832 8.938 31.966 1.00 48.88 ? 318 ILE A CB 1 ATOM 1166 C CG1 . ILE A 1 236 ? 5.627 8.122 31.496 1.00 45.93 ? 318 ILE A CG1 1 ATOM 1167 C CG2 . ILE A 1 236 ? 7.693 8.101 32.892 1.00 31.30 ? 318 ILE A CG2 1 ATOM 1168 C CD1 . ILE A 1 236 ? 6.001 6.831 30.809 1.00 50.68 ? 318 ILE A CD1 1 ATOM 1169 N N . TYR A 1 237 ? 7.628 11.160 34.529 1.00 44.52 ? 319 TYR A N 1 ATOM 1170 C CA . TYR A 1 237 ? 8.739 11.859 35.160 1.00 50.32 ? 319 TYR A CA 1 ATOM 1171 C C . TYR A 1 237 ? 9.246 11.152 36.410 1.00 55.26 ? 319 TYR A C 1 ATOM 1172 O O . TYR A 1 237 ? 8.620 10.218 36.912 1.00 52.66 ? 319 TYR A O 1 ATOM 1173 C CB . TYR A 1 237 ? 8.332 13.295 35.501 1.00 54.62 ? 319 TYR A CB 1 ATOM 1174 C CG . TYR A 1 237 ? 7.404 13.417 36.690 1.00 55.31 ? 319 TYR A CG 1 ATOM 1175 C CD1 . TYR A 1 237 ? 6.064 13.064 36.583 1.00 51.34 ? 319 TYR A CD1 1 ATOM 1176 C CD2 . TYR A 1 237 ? 7.859 13.897 37.911 1.00 50.53 ? 319 TYR A CD2 1 ATOM 1177 C CE1 . TYR A 1 237 ? 5.206 13.175 37.659 1.00 50.58 ? 319 TYR A CE1 1 ATOM 1178 C CE2 . TYR A 1 237 ? 7.006 14.013 38.995 1.00 52.02 ? 319 TYR A CE2 1 ATOM 1179 C CZ . TYR A 1 237 ? 5.681 13.650 38.862 1.00 54.04 ? 319 TYR A CZ 1 ATOM 1180 O OH . TYR A 1 237 ? 4.824 13.763 39.933 1.00 56.02 ? 319 TYR A OH 1 ATOM 1181 N N . LYS A 1 238 ? 10.390 11.612 36.905 1.00 59.05 ? 320 LYS A N 1 ATOM 1182 C CA . LYS A 1 238 ? 10.989 11.066 38.114 1.00 51.33 ? 320 LYS A CA 1 ATOM 1183 C C . LYS A 1 238 ? 11.698 12.165 38.900 1.00 51.66 ? 320 LYS A C 1 ATOM 1184 O O . LYS A 1 238 ? 12.625 12.796 38.394 1.00 55.19 ? 320 LYS A O 1 ATOM 1185 C CB . LYS A 1 238 ? 11.975 9.950 37.760 1.00 33.47 ? 320 LYS A CB 1 ATOM 1186 N N . VAL A 1 239 ? 11.252 12.395 40.131 1.00 51.70 ? 321 VAL A N 1 ATOM 1187 C CA . VAL A 1 239 ? 11.894 13.362 41.014 1.00 56.14 ? 321 VAL A CA 1 ATOM 1188 C C . VAL A 1 239 ? 13.352 12.971 41.248 1.00 58.20 ? 321 VAL A C 1 ATOM 1189 O O . VAL A 1 239 ? 13.655 11.799 41.473 1.00 66.30 ? 321 VAL A O 1 ATOM 1190 C CB . VAL A 1 239 ? 11.158 13.464 42.364 1.00 55.85 ? 321 VAL A CB 1 ATOM 1191 C CG1 . VAL A 1 239 ? 9.843 14.208 42.191 1.00 47.51 ? 321 VAL A CG1 1 ATOM 1192 C CG2 . VAL A 1 239 ? 10.918 12.079 42.954 1.00 59.15 ? 321 VAL A CG2 1 ATOM 1193 N N . TYR A 1 240 ? 14.252 13.949 41.169 1.00 50.60 ? 322 TYR A N 1 ATOM 1194 C CA . TYR A 1 240 ? 15.686 13.664 41.158 1.00 49.44 ? 322 TYR A CA 1 ATOM 1195 C C . TYR A 1 240 ? 16.186 12.899 42.383 1.00 53.64 ? 322 TYR A C 1 ATOM 1196 O O . TYR A 1 240 ? 15.961 13.302 43.525 1.00 57.54 ? 322 TYR A O 1 ATOM 1197 C CB . TYR A 1 240 ? 16.506 14.942 40.961 1.00 41.27 ? 322 TYR A CB 1 ATOM 1198 C CG . TYR A 1 240 ? 17.992 14.678 40.867 1.00 42.50 ? 322 TYR A CG 1 ATOM 1199 C CD1 . TYR A 1 240 ? 18.550 14.127 39.722 1.00 48.80 ? 322 TYR A CD1 1 ATOM 1200 C CD2 . TYR A 1 240 ? 18.835 14.961 41.933 1.00 40.91 ? 322 TYR A CD2 1 ATOM 1201 C CE1 . TYR A 1 240 ? 19.907 13.874 39.638 1.00 48.15 ? 322 TYR A CE1 1 ATOM 1202 C CE2 . TYR A 1 240 ? 20.193 14.712 41.857 1.00 43.88 ? 322 TYR A CE2 1 ATOM 1203 C CZ . TYR A 1 240 ? 20.723 14.169 40.708 1.00 44.17 ? 322 TYR A CZ 1 ATOM 1204 O OH . TYR A 1 240 ? 22.073 13.920 40.628 1.00 43.05 ? 322 TYR A OH 1 ATOM 1205 N N . ASN A 1 241 ? 16.871 11.792 42.119 1.00 48.42 ? 323 ASN A N 1 ATOM 1206 C CA . ASN A 1 241 ? 17.481 10.974 43.155 1.00 55.21 ? 323 ASN A CA 1 ATOM 1207 C C . ASN A 1 241 ? 18.828 10.463 42.655 1.00 53.79 ? 323 ASN A C 1 ATOM 1208 O O . ASN A 1 241 ? 18.888 9.498 41.893 1.00 53.78 ? 323 ASN A O 1 ATOM 1209 C CB . ASN A 1 241 ? 16.564 9.803 43.513 1.00 60.15 ? 323 ASN A CB 1 ATOM 1210 C CG . ASN A 1 241 ? 17.042 9.032 44.731 1.00 67.49 ? 323 ASN A CG 1 ATOM 1211 O OD1 . ASN A 1 241 ? 18.078 9.345 45.317 1.00 66.87 ? 323 ASN A OD1 1 ATOM 1212 N ND2 . ASN A 1 241 ? 16.266 8.029 45.132 1.00 83.42 ? 323 ASN A ND2 1 ATOM 1213 N N . GLY A 1 242 ? 19.907 11.111 43.081 1.00 50.05 ? 324 GLY A N 1 ATOM 1214 C CA . GLY A 1 242 ? 21.237 10.766 42.610 1.00 49.70 ? 324 GLY A CA 1 ATOM 1215 C C . GLY A 1 242 ? 21.732 9.399 43.053 1.00 49.04 ? 324 GLY A C 1 ATOM 1216 O O . GLY A 1 242 ? 22.777 8.935 42.598 1.00 43.83 ? 324 GLY A O 1 ATOM 1217 N N . SER A 1 243 ? 20.980 8.753 43.938 1.00 49.05 ? 325 SER A N 1 ATOM 1218 C CA . SER A 1 243 ? 21.361 7.447 44.462 1.00 47.29 ? 325 SER A CA 1 ATOM 1219 C C . SER A 1 243 ? 20.967 6.325 43.504 1.00 55.60 ? 325 SER A C 1 ATOM 1220 O O . SER A 1 243 ? 21.456 5.201 43.617 1.00 60.98 ? 325 SER A O 1 ATOM 1221 C CB . SER A 1 243 ? 20.724 7.216 45.833 1.00 46.66 ? 325 SER A CB 1 ATOM 1222 O OG . SER A 1 243 ? 21.056 8.259 46.730 1.00 50.05 ? 325 SER A OG 1 ATOM 1223 N N . VAL A 1 244 ? 20.077 6.637 42.566 1.00 59.25 ? 326 VAL A N 1 ATOM 1224 C CA . VAL A 1 244 ? 19.611 5.657 41.589 1.00 59.47 ? 326 VAL A CA 1 ATOM 1225 C C . VAL A 1 244 ? 20.741 5.212 40.667 1.00 64.53 ? 326 VAL A C 1 ATOM 1226 O O . VAL A 1 244 ? 21.367 6.042 40.006 1.00 64.57 ? 326 VAL A O 1 ATOM 1227 C CB . VAL A 1 244 ? 18.462 6.218 40.727 1.00 46.58 ? 326 VAL A CB 1 ATOM 1228 C CG1 . VAL A 1 244 ? 18.062 5.215 39.655 1.00 42.61 ? 326 VAL A CG1 1 ATOM 1229 C CG2 . VAL A 1 244 ? 17.271 6.582 41.599 1.00 32.21 ? 326 VAL A CG2 1 ATOM 1230 N N . PRO A 1 245 ? 21.013 3.896 40.627 1.00 65.59 ? 327 PRO A N 1 ATOM 1231 C CA . PRO A 1 245 ? 22.087 3.353 39.788 1.00 66.70 ? 327 PRO A CA 1 ATOM 1232 C C . PRO A 1 245 ? 21.849 3.638 38.309 1.00 66.70 ? 327 PRO A C 1 ATOM 1233 O O . PRO A 1 245 ? 20.703 3.623 37.861 1.00 60.32 ? 327 PRO A O 1 ATOM 1234 C CB . PRO A 1 245 ? 22.023 1.846 40.065 1.00 61.96 ? 327 PRO A CB 1 ATOM 1235 C CG . PRO A 1 245 ? 20.644 1.607 40.586 1.00 62.59 ? 327 PRO A CG 1 ATOM 1236 C CD . PRO A 1 245 ? 20.296 2.838 41.359 1.00 64.81 ? 327 PRO A CD 1 ATOM 1237 N N . PHE A 1 246 ? 22.924 3.898 37.572 1.00 63.95 ? 328 PHE A N 1 ATOM 1238 C CA . PHE A 1 246 ? 22.829 4.287 36.168 1.00 52.12 ? 328 PHE A CA 1 ATOM 1239 C C . PHE A 1 246 ? 22.158 3.215 35.314 1.00 49.86 ? 328 PHE A C 1 ATOM 1240 O O . PHE A 1 246 ? 21.335 3.523 34.452 1.00 45.12 ? 328 PHE A O 1 ATOM 1241 C CB . PHE A 1 246 ? 24.212 4.597 35.601 1.00 46.05 ? 328 PHE A CB 1 ATOM 1242 C CG . PHE A 1 246 ? 24.889 5.771 36.251 1.00 44.80 ? 328 PHE A CG 1 ATOM 1243 C CD1 . PHE A 1 246 ? 24.147 6.755 36.881 1.00 46.17 ? 328 PHE A CD1 1 ATOM 1244 C CD2 . PHE A 1 246 ? 26.270 5.891 36.230 1.00 38.02 ? 328 PHE A CD2 1 ATOM 1245 C CE1 . PHE A 1 246 ? 24.765 7.832 37.478 1.00 34.16 ? 328 PHE A CE1 1 ATOM 1246 C CE2 . PHE A 1 246 ? 26.895 6.970 36.825 1.00 32.62 ? 328 PHE A CE2 1 ATOM 1247 C CZ . PHE A 1 246 ? 26.140 7.942 37.451 1.00 27.76 ? 328 PHE A CZ 1 ATOM 1248 N N . GLU A 1 247 ? 22.532 1.960 35.550 1.00 47.53 ? 329 GLU A N 1 ATOM 1249 C CA . GLU A 1 247 ? 22.009 0.833 34.782 1.00 40.46 ? 329 GLU A CA 1 ATOM 1250 C C . GLU A 1 247 ? 20.488 0.743 34.878 1.00 37.47 ? 329 GLU A C 1 ATOM 1251 O O . GLU A 1 247 ? 19.821 0.293 33.946 1.00 39.91 ? 329 GLU A O 1 ATOM 1252 C CB . GLU A 1 247 ? 22.642 -0.475 35.261 1.00 35.37 ? 329 GLU A CB 1 ATOM 1253 N N . GLU A 1 248 ? 19.949 1.170 36.015 1.00 40.68 ? 330 GLU A N 1 ATOM 1254 C CA . GLU A 1 248 ? 18.512 1.134 36.252 1.00 49.70 ? 330 GLU A CA 1 ATOM 1255 C C . GLU A 1 248 ? 17.813 2.255 35.489 1.00 48.18 ? 330 GLU A C 1 ATOM 1256 O O . GLU A 1 248 ? 16.643 2.139 35.123 1.00 43.46 ? 330 GLU A O 1 ATOM 1257 C CB . GLU A 1 248 ? 18.218 1.229 37.752 1.00 60.84 ? 330 GLU A CB 1 ATOM 1258 C CG . GLU A 1 248 ? 16.756 1.041 38.123 1.00 70.81 ? 330 GLU A CG 1 ATOM 1259 C CD . GLU A 1 248 ? 16.549 0.923 39.621 1.00 83.23 ? 330 GLU A CD 1 ATOM 1260 O OE1 . GLU A 1 248 ? 15.431 1.221 40.093 1.00 87.50 ? 330 GLU A OE1 1 ATOM 1261 O OE2 . GLU A 1 248 ? 17.503 0.531 40.325 1.00 84.57 ? 330 GLU A OE2 1 ATOM 1262 N N . ARG A 1 249 ? 18.545 3.340 35.253 1.00 48.89 ? 331 ARG A N 1 ATOM 1263 C CA . ARG A 1 249 ? 18.016 4.489 34.524 1.00 47.43 ? 331 ARG A CA 1 ATOM 1264 C C . ARG A 1 249 ? 17.812 4.156 33.051 1.00 54.57 ? 331 ARG A C 1 ATOM 1265 O O . ARG A 1 249 ? 16.823 4.567 32.442 1.00 53.20 ? 331 ARG A O 1 ATOM 1266 C CB . ARG A 1 249 ? 18.957 5.687 34.655 1.00 34.76 ? 331 ARG A CB 1 ATOM 1267 C CG . ARG A 1 249 ? 19.390 5.986 36.079 1.00 34.50 ? 331 ARG A CG 1 ATOM 1268 C CD . ARG A 1 249 ? 20.170 7.286 36.154 1.00 30.33 ? 331 ARG A CD 1 ATOM 1269 N NE . ARG A 1 249 ? 20.695 7.531 37.494 1.00 38.24 ? 331 ARG A NE 1 ATOM 1270 C CZ . ARG A 1 249 ? 21.293 8.657 37.868 1.00 40.79 ? 331 ARG A CZ 1 ATOM 1271 N NH1 . ARG A 1 249 ? 21.445 9.650 37.002 1.00 42.95 ? 331 ARG A NH1 1 ATOM 1272 N NH2 . ARG A 1 249 ? 21.743 8.791 39.107 1.00 40.17 ? 331 ARG A NH2 1 ATOM 1273 N N . ILE A 1 250 ? 18.756 3.413 32.483 1.00 56.61 ? 332 ILE A N 1 ATOM 1274 C CA . ILE A 1 250 ? 18.692 3.023 31.079 1.00 53.69 ? 332 ILE A CA 1 ATOM 1275 C C . ILE A 1 250 ? 17.523 2.073 30.849 1.00 52.39 ? 332 ILE A C 1 ATOM 1276 O O . ILE A 1 250 ? 16.754 2.239 29.903 1.00 52.38 ? 332 ILE A O 1 ATOM 1277 C CB . ILE A 1 250 ? 19.998 2.344 30.622 1.00 54.26 ? 332 ILE A CB 1 ATOM 1278 C CG1 . ILE A 1 250 ? 21.204 3.227 30.952 1.00 48.04 ? 332 ILE A CG1 1 ATOM 1279 C CG2 . ILE A 1 250 ? 19.948 2.031 29.133 1.00 55.57 ? 332 ILE A CG2 1 ATOM 1280 C CD1 . ILE A 1 250 ? 21.162 4.587 30.296 1.00 41.88 ? 332 ILE A CD1 1 ATOM 1281 N N . LEU A 1 251 ? 17.400 1.078 31.721 1.00 48.01 ? 333 LEU A N 1 ATOM 1282 C CA . LEU A 1 251 ? 16.332 0.091 31.619 1.00 52.11 ? 333 LEU A CA 1 ATOM 1283 C C . LEU A 1 251 ? 14.965 0.751 31.771 1.00 49.15 ? 333 LEU A C 1 ATOM 1284 O O . LEU A 1 251 ? 13.988 0.320 31.159 1.00 46.66 ? 333 LEU A O 1 ATOM 1285 C CB . LEU A 1 251 ? 16.507 -1.007 32.670 1.00 56.08 ? 333 LEU A CB 1 ATOM 1286 C CG . LEU A 1 251 ? 17.762 -1.874 32.552 1.00 52.53 ? 333 LEU A CG 1 ATOM 1287 C CD1 . LEU A 1 251 ? 17.793 -2.926 33.650 1.00 49.49 ? 333 LEU A CD1 1 ATOM 1288 C CD2 . LEU A 1 251 ? 17.843 -2.524 31.179 1.00 51.32 ? 333 LEU A CD2 1 ATOM 1289 N N . ALA A 1 252 ? 14.907 1.798 32.589 1.00 52.48 ? 334 ALA A N 1 ATOM 1290 C CA . ALA A 1 252 ? 13.668 2.537 32.814 1.00 57.32 ? 334 ALA A CA 1 ATOM 1291 C C . ALA A 1 252 ? 13.166 3.160 31.515 1.00 51.40 ? 334 ALA A C 1 ATOM 1292 O O . ALA A 1 252 ? 11.972 3.120 31.218 1.00 50.03 ? 334 ALA A O 1 ATOM 1293 C CB . ALA A 1 252 ? 13.874 3.607 33.875 1.00 62.11 ? 334 ALA A CB 1 ATOM 1294 N N . VAL A 1 253 ? 14.088 3.731 30.747 1.00 47.06 ? 335 VAL A N 1 ATOM 1295 C CA . VAL A 1 253 ? 13.753 4.341 29.466 1.00 44.17 ? 335 VAL A CA 1 ATOM 1296 C C . VAL A 1 253 ? 13.395 3.253 28.462 1.00 45.79 ? 335 VAL A C 1 ATOM 1297 O O . VAL A 1 253 ? 12.465 3.403 27.667 1.00 45.88 ? 335 VAL A O 1 ATOM 1298 C CB . VAL A 1 253 ? 14.906 5.210 28.928 1.00 35.11 ? 335 VAL A CB 1 ATOM 1299 C CG1 . VAL A 1 253 ? 14.562 5.775 27.557 1.00 33.46 ? 335 VAL A CG1 1 ATOM 1300 C CG2 . VAL A 1 253 ? 15.212 6.329 29.904 1.00 33.51 ? 335 VAL A CG2 1 ATOM 1301 N N . LEU A 1 254 ? 14.135 2.151 28.513 1.00 40.80 ? 336 LEU A N 1 ATOM 1302 C CA . LEU A 1 254 ? 13.876 1.010 27.647 1.00 41.79 ? 336 LEU A CA 1 ATOM 1303 C C . LEU A 1 254 ? 12.494 0.414 27.904 1.00 58.41 ? 336 LEU A C 1 ATOM 1304 O O . LEU A 1 254 ? 11.864 -0.106 26.988 1.00 68.78 ? 336 LEU A O 1 ATOM 1305 C CB . LEU A 1 254 ? 14.957 -0.059 27.819 1.00 34.24 ? 336 LEU A CB 1 ATOM 1306 C CG . LEU A 1 254 ? 16.336 0.285 27.255 1.00 31.95 ? 336 LEU A CG 1 ATOM 1307 C CD1 . LEU A 1 254 ? 17.333 -0.820 27.560 1.00 29.75 ? 336 LEU A CD1 1 ATOM 1308 C CD2 . LEU A 1 254 ? 16.253 0.536 25.757 1.00 30.81 ? 336 LEU A CD2 1 ATOM 1309 N N . GLU A 1 255 ? 12.025 0.488 29.148 1.00 55.90 ? 337 GLU A N 1 ATOM 1310 C CA . GLU A 1 255 ? 10.696 -0.019 29.479 1.00 59.78 ? 337 GLU A CA 1 ATOM 1311 C C . GLU A 1 255 ? 9.591 0.876 28.928 1.00 66.29 ? 337 GLU A C 1 ATOM 1312 O O . GLU A 1 255 ? 8.525 0.399 28.542 1.00 75.64 ? 337 GLU A O 1 ATOM 1313 C CB . GLU A 1 255 ? 10.533 -0.169 30.996 1.00 68.60 ? 337 GLU A CB 1 ATOM 1314 C CG . GLU A 1 255 ? 11.303 -1.317 31.624 1.00 78.41 ? 337 GLU A CG 1 ATOM 1315 C CD . GLU A 1 255 ? 11.079 -1.401 33.125 1.00 79.13 ? 337 GLU A CD 1 ATOM 1316 O OE1 . GLU A 1 255 ? 11.723 -2.246 33.780 1.00 75.26 ? 337 GLU A OE1 1 ATOM 1317 O OE2 . GLU A 1 255 ? 10.262 -0.614 33.649 1.00 76.98 ? 337 GLU A OE2 1 ATOM 1318 N N . TRP A 1 256 ? 9.857 2.178 28.899 1.00 64.68 ? 338 TRP A N 1 ATOM 1319 C CA . TRP A 1 256 ? 8.903 3.158 28.389 1.00 59.33 ? 338 TRP A CA 1 ATOM 1320 C C . TRP A 1 256 ? 8.727 3.062 26.879 1.00 56.85 ? 338 TRP A C 1 ATOM 1321 O O . TRP A 1 256 ? 7.651 3.334 26.349 1.00 64.84 ? 338 TRP A O 1 ATOM 1322 C CB . TRP A 1 256 ? 9.344 4.571 28.764 1.00 56.64 ? 338 TRP A CB 1 ATOM 1323 C CG . TRP A 1 256 ? 9.526 4.769 30.236 1.00 55.03 ? 338 TRP A CG 1 ATOM 1324 C CD1 . TRP A 1 256 ? 9.058 3.968 31.237 1.00 49.93 ? 338 TRP A CD1 1 ATOM 1325 C CD2 . TRP A 1 256 ? 10.241 5.832 30.874 1.00 53.95 ? 338 TRP A CD2 1 ATOM 1326 N NE1 . TRP A 1 256 ? 9.433 4.470 32.459 1.00 44.67 ? 338 TRP A NE1 1 ATOM 1327 C CE2 . TRP A 1 256 ? 10.160 5.615 32.263 1.00 47.22 ? 338 TRP A CE2 1 ATOM 1328 C CE3 . TRP A 1 256 ? 10.939 6.949 30.405 1.00 47.99 ? 338 TRP A CE3 1 ATOM 1329 C CZ2 . TRP A 1 256 ? 10.750 6.470 33.187 1.00 45.19 ? 338 TRP A CZ2 1 ATOM 1330 C CZ3 . TRP A 1 256 ? 11.523 7.797 31.323 1.00 39.26 ? 338 TRP A CZ3 1 ATOM 1331 C CH2 . TRP A 1 256 ? 11.422 7.555 32.697 1.00 42.65 ? 338 TRP A CH2 1 ATOM 1332 N N . LEU A 1 257 ? 9.799 2.677 26.195 1.00 48.91 ? 339 LEU A N 1 ATOM 1333 C CA . LEU A 1 257 ? 9.784 2.510 24.745 1.00 51.33 ? 339 LEU A CA 1 ATOM 1334 C C . LEU A 1 257 ? 8.846 1.390 24.293 1.00 59.83 ? 339 LEU A C 1 ATOM 1335 O O . LEU A 1 257 ? 8.526 1.270 23.109 1.00 61.47 ? 339 LEU A O 1 ATOM 1336 C CB . LEU A 1 257 ? 11.199 2.216 24.242 1.00 45.22 ? 339 LEU A CB 1 ATOM 1337 C CG . LEU A 1 257 ? 11.934 3.296 23.449 1.00 32.37 ? 339 LEU A CG 1 ATOM 1338 C CD1 . LEU A 1 257 ? 11.911 4.608 24.202 1.00 29.65 ? 339 LEU A CD1 1 ATOM 1339 C CD2 . LEU A 1 257 ? 13.361 2.862 23.160 1.00 29.87 ? 339 LEU A CD2 1 ATOM 1340 N N . GLN A 1 258 ? 8.408 0.575 25.247 1.00 66.50 ? 340 GLN A N 1 ATOM 1341 C CA . GLN A 1 258 ? 7.567 -0.583 24.965 1.00 66.54 ? 340 GLN A CA 1 ATOM 1342 C C . GLN A 1 258 ? 6.089 -0.338 25.263 1.00 69.54 ? 340 GLN A C 1 ATOM 1343 O O . GLN A 1 258 ? 5.249 -1.208 25.033 1.00 71.01 ? 340 GLN A O 1 ATOM 1344 C CB . GLN A 1 258 ? 8.080 -1.794 25.745 1.00 60.43 ? 340 GLN A CB 1 ATOM 1345 C CG . GLN A 1 258 ? 9.599 -1.865 25.780 1.00 54.72 ? 340 GLN A CG 1 ATOM 1346 C CD . GLN A 1 258 ? 10.127 -3.234 26.153 1.00 61.35 ? 340 GLN A CD 1 ATOM 1347 O OE1 . GLN A 1 258 ? 10.523 -4.016 25.291 1.00 61.90 ? 340 GLN A OE1 1 ATOM 1348 N NE2 . GLN A 1 258 ? 10.149 -3.525 27.448 1.00 70.57 ? 340 GLN A NE2 1 ATOM 1349 N N . LEU A 1 259 ? 5.781 0.846 25.782 1.00 68.29 ? 341 LEU A N 1 ATOM 1350 C CA . LEU A 1 259 ? 4.405 1.225 26.094 1.00 63.79 ? 341 LEU A CA 1 ATOM 1351 C C . LEU A 1 259 ? 3.552 1.269 24.826 1.00 71.15 ? 341 LEU A C 1 ATOM 1352 O O . LEU A 1 259 ? 4.079 1.495 23.737 1.00 77.62 ? 341 LEU A O 1 ATOM 1353 C CB . LEU A 1 259 ? 4.380 2.585 26.799 1.00 56.60 ? 341 LEU A CB 1 ATOM 1354 C CG . LEU A 1 259 ? 4.284 2.557 28.328 1.00 58.59 ? 341 LEU A CG 1 ATOM 1355 C CD1 . LEU A 1 259 ? 5.364 1.671 28.931 1.00 63.46 ? 341 LEU A CD1 1 ATOM 1356 C CD2 . LEU A 1 259 ? 4.360 3.965 28.901 1.00 56.29 ? 341 LEU A CD2 1 ATOM 1357 N N . PRO A 1 260 ? 2.233 1.035 24.965 1.00 68.49 ? 342 PRO A N 1 ATOM 1358 C CA . PRO A 1 260 ? 1.298 1.089 23.833 1.00 61.93 ? 342 PRO A CA 1 ATOM 1359 C C . PRO A 1 260 ? 1.405 2.393 23.048 1.00 62.02 ? 342 PRO A C 1 ATOM 1360 O O . PRO A 1 260 ? 1.759 3.426 23.616 1.00 66.22 ? 342 PRO A O 1 ATOM 1361 C CB . PRO A 1 260 ? -0.069 0.992 24.512 1.00 67.59 ? 342 PRO A CB 1 ATOM 1362 C CG . PRO A 1 260 ? 0.195 0.211 25.748 1.00 69.19 ? 342 PRO A CG 1 ATOM 1363 C CD . PRO A 1 260 ? 1.555 0.644 26.214 1.00 69.79 ? 342 PRO A CD 1 ATOM 1364 N N . SER A 1 261 ? 1.083 2.335 21.759 1.00 62.97 ? 343 SER A N 1 ATOM 1365 C CA . SER A 1 261 ? 1.254 3.467 20.851 1.00 64.34 ? 343 SER A CA 1 ATOM 1366 C C . SER A 1 261 ? 0.552 4.748 21.299 1.00 69.98 ? 343 SER A C 1 ATOM 1367 O O . SER A 1 261 ? 0.958 5.846 20.918 1.00 70.37 ? 343 SER A O 1 ATOM 1368 C CB . SER A 1 261 ? 0.785 3.089 19.443 1.00 61.16 ? 343 SER A CB 1 ATOM 1369 O OG . SER A 1 261 ? 0.863 4.195 18.561 1.00 56.77 ? 343 SER A OG 1 ATOM 1370 N N . HIS A 1 262 ? -0.498 4.611 22.103 1.00 71.68 ? 344 HIS A N 1 ATOM 1371 C CA . HIS A 1 262 ? -1.247 5.775 22.560 1.00 80.40 ? 344 HIS A CA 1 ATOM 1372 C C . HIS A 1 262 ? -0.707 6.330 23.876 1.00 77.54 ? 344 HIS A C 1 ATOM 1373 O O . HIS A 1 262 ? -0.932 7.495 24.206 1.00 72.82 ? 344 HIS A O 1 ATOM 1374 C CB . HIS A 1 262 ? -2.732 5.429 22.704 1.00 94.33 ? 344 HIS A CB 1 ATOM 1375 C CG . HIS A 1 262 ? -3.348 4.868 21.459 1.00 103.01 ? 344 HIS A CG 1 ATOM 1376 N ND1 . HIS A 1 262 ? -2.726 4.921 20.230 1.00 101.65 ? 344 HIS A ND1 1 ATOM 1377 C CD2 . HIS A 1 262 ? -4.530 4.241 21.256 1.00 106.78 ? 344 HIS A CD2 1 ATOM 1378 C CE1 . HIS A 1 262 ? -3.499 4.352 19.323 1.00 103.61 ? 344 HIS A CE1 1 ATOM 1379 N NE2 . HIS A 1 262 ? -4.600 3.931 19.920 1.00 108.21 ? 344 HIS A NE2 1 ATOM 1380 N N . GLU A 1 263 ? 0.008 5.493 24.622 1.00 79.02 ? 345 GLU A N 1 ATOM 1381 C CA . GLU A 1 263 ? 0.529 5.891 25.927 1.00 73.60 ? 345 GLU A CA 1 ATOM 1382 C C . GLU A 1 263 ? 2.054 5.908 25.956 1.00 64.56 ? 345 GLU A C 1 ATOM 1383 O O . GLU A 1 263 ? 2.661 6.001 27.022 1.00 62.28 ? 345 GLU A O 1 ATOM 1384 C CB . GLU A 1 263 ? -0.004 4.962 27.019 1.00 70.08 ? 345 GLU A CB 1 ATOM 1385 N N . ARG A 1 264 ? 2.667 5.826 24.782 1.00 53.89 ? 346 ARG A N 1 ATOM 1386 C CA . ARG A 1 264 ? 4.120 5.823 24.678 1.00 46.99 ? 346 ARG A CA 1 ATOM 1387 C C . ARG A 1 264 ? 4.629 7.216 24.326 1.00 53.18 ? 346 ARG A C 1 ATOM 1388 O O . ARG A 1 264 ? 4.182 7.818 23.349 1.00 50.28 ? 346 ARG A O 1 ATOM 1389 C CB . ARG A 1 264 ? 4.588 4.805 23.639 1.00 43.17 ? 346 ARG A CB 1 ATOM 1390 C CG . ARG A 1 264 ? 6.093 4.711 23.473 1.00 36.76 ? 346 ARG A CG 1 ATOM 1391 C CD . ARG A 1 264 ? 6.429 3.768 22.337 1.00 40.69 ? 346 ARG A CD 1 ATOM 1392 N NE . ARG A 1 264 ? 5.824 4.211 21.085 1.00 53.09 ? 346 ARG A NE 1 ATOM 1393 C CZ . ARG A 1 264 ? 5.134 3.419 20.271 1.00 61.48 ? 346 ARG A CZ 1 ATOM 1394 N NH1 . ARG A 1 264 ? 4.955 2.142 20.578 1.00 60.70 ? 346 ARG A NH1 1 ATOM 1395 N NH2 . ARG A 1 264 ? 4.616 3.908 19.152 1.00 58.99 ? 346 ARG A NH2 1 ATOM 1396 N N . PRO A 1 265 ? 5.574 7.729 25.127 1.00 57.43 ? 347 PRO A N 1 ATOM 1397 C CA . PRO A 1 265 ? 6.174 9.050 24.896 1.00 57.02 ? 347 PRO A CA 1 ATOM 1398 C C . PRO A 1 265 ? 6.962 9.103 23.593 1.00 53.98 ? 347 PRO A C 1 ATOM 1399 O O . PRO A 1 265 ? 7.433 8.078 23.100 1.00 40.94 ? 347 PRO A O 1 ATOM 1400 C CB . PRO A 1 265 ? 7.123 9.242 26.087 1.00 46.70 ? 347 PRO A CB 1 ATOM 1401 C CG . PRO A 1 265 ? 7.013 8.046 26.935 1.00 43.65 ? 347 PRO A CG 1 ATOM 1402 C CD . PRO A 1 265 ? 6.104 7.048 26.319 1.00 51.42 ? 347 PRO A CD 1 ATOM 1403 N N . HIS A 1 266 ? 7.086 10.305 23.040 1.00 65.97 ? 348 HIS A N 1 ATOM 1404 C CA . HIS A 1 266 ? 7.784 10.514 21.781 1.00 69.04 ? 348 HIS A CA 1 ATOM 1405 C C . HIS A 1 266 ? 9.104 11.229 22.041 1.00 55.88 ? 348 HIS A C 1 ATOM 1406 O O . HIS A 1 266 ? 9.999 11.235 21.196 1.00 55.88 ? 348 HIS A O 1 ATOM 1407 C CB . HIS A 1 266 ? 6.905 11.319 20.816 1.00 79.18 ? 348 HIS A CB 1 ATOM 1408 C CG . HIS A 1 266 ? 7.293 11.187 19.376 1.00 87.40 ? 348 HIS A CG 1 ATOM 1409 N ND1 . HIS A 1 266 ? 7.435 12.276 18.544 1.00 92.05 ? 348 HIS A ND1 1 ATOM 1410 C CD2 . HIS A 1 266 ? 7.544 10.096 18.615 1.00 91.40 ? 348 HIS A CD2 1 ATOM 1411 C CE1 . HIS A 1 266 ? 7.771 11.863 17.335 1.00 92.77 ? 348 HIS A CE1 1 ATOM 1412 N NE2 . HIS A 1 266 ? 7.843 10.544 17.351 1.00 96.37 ? 348 HIS A NE2 1 ATOM 1413 N N . PHE A 1 267 ? 9.213 11.833 23.220 1.00 42.88 ? 349 PHE A N 1 ATOM 1414 C CA . PHE A 1 267 ? 10.439 12.500 23.639 1.00 31.61 ? 349 PHE A CA 1 ATOM 1415 C C . PHE A 1 267 ? 10.953 11.924 24.960 1.00 44.80 ? 349 PHE A C 1 ATOM 1416 O O . PHE A 1 267 ? 10.181 11.725 25.897 1.00 60.84 ? 349 PHE A O 1 ATOM 1417 C CB . PHE A 1 267 ? 10.206 14.006 23.772 1.00 24.96 ? 349 PHE A CB 1 ATOM 1418 C CG . PHE A 1 267 ? 11.339 14.741 24.420 1.00 34.01 ? 349 PHE A CG 1 ATOM 1419 C CD1 . PHE A 1 267 ? 12.531 14.942 23.743 1.00 38.34 ? 349 PHE A CD1 1 ATOM 1420 C CD2 . PHE A 1 267 ? 11.209 15.245 25.702 1.00 33.47 ? 349 PHE A CD2 1 ATOM 1421 C CE1 . PHE A 1 267 ? 13.577 15.624 24.339 1.00 33.39 ? 349 PHE A CE1 1 ATOM 1422 C CE2 . PHE A 1 267 ? 12.248 15.928 26.301 1.00 30.63 ? 349 PHE A CE2 1 ATOM 1423 C CZ . PHE A 1 267 ? 13.434 16.118 25.619 1.00 33.28 ? 349 PHE A CZ 1 ATOM 1424 N N . TYR A 1 268 ? 12.253 11.657 25.029 1.00 35.30 ? 350 TYR A N 1 ATOM 1425 C CA . TYR A 1 268 ? 12.853 11.017 26.200 1.00 34.41 ? 350 TYR A CA 1 ATOM 1426 C C . TYR A 1 268 ? 14.120 11.741 26.637 1.00 33.20 ? 350 TYR A C 1 ATOM 1427 O O . TYR A 1 268 ? 14.823 12.324 25.815 1.00 38.75 ? 350 TYR A O 1 ATOM 1428 C CB . TYR A 1 268 ? 13.181 9.551 25.907 1.00 41.12 ? 350 TYR A CB 1 ATOM 1429 C CG . TYR A 1 268 ? 11.988 8.705 25.525 1.00 36.89 ? 350 TYR A CG 1 ATOM 1430 C CD1 . TYR A 1 268 ? 11.521 8.669 24.218 1.00 36.97 ? 350 TYR A CD1 1 ATOM 1431 C CD2 . TYR A 1 268 ? 11.332 7.934 26.475 1.00 38.00 ? 350 TYR A CD2 1 ATOM 1432 C CE1 . TYR A 1 268 ? 10.433 7.895 23.873 1.00 44.36 ? 350 TYR A CE1 1 ATOM 1433 C CE2 . TYR A 1 268 ? 10.246 7.156 26.139 1.00 41.37 ? 350 TYR A CE2 1 ATOM 1434 C CZ . TYR A 1 268 ? 9.797 7.143 24.837 1.00 44.69 ? 350 TYR A CZ 1 ATOM 1435 O OH . TYR A 1 268 ? 8.716 6.365 24.497 1.00 49.27 ? 350 TYR A OH 1 ATOM 1436 N N . THR A 1 269 ? 14.403 11.708 27.937 1.00 33.57 ? 351 THR A N 1 ATOM 1437 C CA . THR A 1 269 ? 15.645 12.270 28.459 1.00 28.06 ? 351 THR A CA 1 ATOM 1438 C C . THR A 1 269 ? 16.398 11.272 29.333 1.00 25.52 ? 351 THR A C 1 ATOM 1439 O O . THR A 1 269 ? 15.801 10.391 29.951 1.00 26.26 ? 351 THR A O 1 ATOM 1440 C CB . THR A 1 269 ? 15.402 13.546 29.295 1.00 31.85 ? 351 THR A CB 1 ATOM 1441 O OG1 . THR A 1 269 ? 14.888 13.189 30.583 1.00 28.51 ? 351 THR A OG1 1 ATOM 1442 C CG2 . THR A 1 269 ? 14.432 14.483 28.600 1.00 22.09 ? 351 THR A CG2 1 ATOM 1443 N N . LEU A 1 270 ? 17.717 11.427 29.380 1.00 30.94 ? 352 LEU A N 1 ATOM 1444 C CA . LEU A 1 270 ? 18.570 10.617 30.241 1.00 39.37 ? 352 LEU A CA 1 ATOM 1445 C C . LEU A 1 270 ? 19.693 11.469 30.814 1.00 46.09 ? 352 LEU A C 1 ATOM 1446 O O . LEU A 1 270 ? 20.313 12.255 30.097 1.00 50.05 ? 352 LEU A O 1 ATOM 1447 C CB . LEU A 1 270 ? 19.152 9.431 29.471 1.00 43.43 ? 352 LEU A CB 1 ATOM 1448 C CG . LEU A 1 270 ? 18.373 8.120 29.549 1.00 54.91 ? 352 LEU A CG 1 ATOM 1449 C CD1 . LEU A 1 270 ? 18.992 7.075 28.639 1.00 62.62 ? 352 LEU A CD1 1 ATOM 1450 C CD2 . LEU A 1 270 ? 18.357 7.627 30.986 1.00 54.68 ? 352 LEU A CD2 1 ATOM 1451 N N . TYR A 1 271 ? 19.948 11.315 32.108 1.00 38.08 ? 353 TYR A N 1 ATOM 1452 C CA . TYR A 1 271 ? 20.982 12.098 32.772 1.00 33.70 ? 353 TYR A CA 1 ATOM 1453 C C . TYR A 1 271 ? 21.888 11.252 33.662 1.00 37.36 ? 353 TYR A C 1 ATOM 1454 O O . TYR A 1 271 ? 21.418 10.409 34.425 1.00 41.64 ? 353 TYR A O 1 ATOM 1455 C CB . TYR A 1 271 ? 20.357 13.230 33.591 1.00 24.15 ? 353 TYR A CB 1 ATOM 1456 C CG . TYR A 1 271 ? 21.336 13.940 34.496 1.00 27.50 ? 353 TYR A CG 1 ATOM 1457 C CD1 . TYR A 1 271 ? 22.209 14.893 33.991 1.00 32.44 ? 353 TYR A CD1 1 ATOM 1458 C CD2 . TYR A 1 271 ? 21.385 13.660 35.857 1.00 29.56 ? 353 TYR A CD2 1 ATOM 1459 C CE1 . TYR A 1 271 ? 23.107 15.545 34.812 1.00 39.67 ? 353 TYR A CE1 1 ATOM 1460 C CE2 . TYR A 1 271 ? 22.280 14.307 36.686 1.00 32.88 ? 353 TYR A CE2 1 ATOM 1461 C CZ . TYR A 1 271 ? 23.139 15.248 36.158 1.00 38.22 ? 353 TYR A CZ 1 ATOM 1462 O OH . TYR A 1 271 ? 24.033 15.896 36.977 1.00 43.11 ? 353 TYR A OH 1 ATOM 1463 N N . LEU A 1 272 ? 23.192 11.488 33.555 1.00 38.89 ? 354 LEU A N 1 ATOM 1464 C CA . LEU A 1 272 ? 24.182 10.822 34.394 1.00 41.34 ? 354 LEU A CA 1 ATOM 1465 C C . LEU A 1 272 ? 25.083 11.862 35.051 1.00 40.93 ? 354 LEU A C 1 ATOM 1466 O O . LEU A 1 272 ? 25.461 12.852 34.424 1.00 28.17 ? 354 LEU A O 1 ATOM 1467 C CB . LEU A 1 272 ? 25.021 9.847 33.562 1.00 40.91 ? 354 LEU A CB 1 ATOM 1468 C CG . LEU A 1 272 ? 24.559 8.395 33.397 1.00 35.55 ? 354 LEU A CG 1 ATOM 1469 C CD1 . LEU A 1 272 ? 23.212 8.287 32.715 1.00 36.06 ? 354 LEU A CD1 1 ATOM 1470 C CD2 . LEU A 1 272 ? 25.605 7.603 32.627 1.00 39.03 ? 354 LEU A CD2 1 ATOM 1471 N N . GLU A 1 273 ? 25.427 11.633 36.315 1.00 42.70 ? 355 GLU A N 1 ATOM 1472 C CA . GLU A 1 273 ? 26.268 12.564 37.061 1.00 36.40 ? 355 GLU A CA 1 ATOM 1473 C C . GLU A 1 273 ? 27.742 12.458 36.674 1.00 39.40 ? 355 GLU A C 1 ATOM 1474 O O . GLU A 1 273 ? 28.556 13.293 37.067 1.00 45.19 ? 355 GLU A O 1 ATOM 1475 C CB . GLU A 1 273 ? 26.101 12.362 38.571 1.00 37.90 ? 355 GLU A CB 1 ATOM 1476 C CG . GLU A 1 273 ? 24.727 12.752 39.102 1.00 45.32 ? 355 GLU A CG 1 ATOM 1477 C CD . GLU A 1 273 ? 23.703 11.642 38.989 1.00 45.13 ? 355 GLU A CD 1 ATOM 1478 O OE1 . GLU A 1 273 ? 24.094 10.505 38.663 1.00 48.73 ? 355 GLU A OE1 1 ATOM 1479 O OE2 . GLU A 1 273 ? 22.505 11.910 39.225 1.00 37.49 ? 355 GLU A OE2 1 ATOM 1480 N N . GLU A 1 274 ? 28.078 11.430 35.904 1.00 40.69 ? 356 GLU A N 1 ATOM 1481 C CA . GLU A 1 274 ? 29.449 11.232 35.446 1.00 41.46 ? 356 GLU A CA 1 ATOM 1482 C C . GLU A 1 274 ? 29.641 11.809 34.046 1.00 44.56 ? 356 GLU A C 1 ATOM 1483 O O . GLU A 1 274 ? 28.697 11.852 33.258 1.00 48.81 ? 356 GLU A O 1 ATOM 1484 C CB . GLU A 1 274 ? 29.804 9.741 35.457 1.00 39.30 ? 356 GLU A CB 1 ATOM 1485 C CG . GLU A 1 274 ? 29.978 9.125 36.839 1.00 46.47 ? 356 GLU A CG 1 ATOM 1486 C CD . GLU A 1 274 ? 31.256 9.568 37.535 1.00 50.79 ? 356 GLU A CD 1 ATOM 1487 O OE1 . GLU A 1 274 ? 31.415 10.776 37.808 1.00 46.95 ? 356 GLU A OE1 1 ATOM 1488 O OE2 . GLU A 1 274 ? 32.107 8.695 37.811 1.00 55.45 ? 356 GLU A OE2 1 ATOM 1489 N N . PRO A 1 275 ? 30.867 12.263 33.731 1.00 39.18 ? 357 PRO A N 1 ATOM 1490 C CA . PRO A 1 275 ? 32.045 12.265 34.606 1.00 35.81 ? 357 PRO A CA 1 ATOM 1491 C C . PRO A 1 275 ? 32.233 13.558 35.406 1.00 35.58 ? 357 PRO A C 1 ATOM 1492 O O . PRO A 1 275 ? 33.375 13.904 35.709 1.00 30.49 ? 357 PRO A O 1 ATOM 1493 C CB . PRO A 1 275 ? 33.192 12.122 33.610 1.00 29.47 ? 357 PRO A CB 1 ATOM 1494 C CG . PRO A 1 275 ? 32.711 12.874 32.420 1.00 27.42 ? 357 PRO A CG 1 ATOM 1495 C CD . PRO A 1 275 ? 31.218 12.650 32.352 1.00 29.57 ? 357 PRO A CD 1 ATOM 1496 N N . ASP A 1 276 ? 31.154 14.263 35.736 1.00 37.31 ? 358 ASP A N 1 ATOM 1497 C CA . ASP A 1 276 ? 31.279 15.482 36.534 1.00 40.02 ? 358 ASP A CA 1 ATOM 1498 C C . ASP A 1 276 ? 31.736 15.172 37.959 1.00 46.59 ? 358 ASP A C 1 ATOM 1499 O O . ASP A 1 276 ? 32.613 15.848 38.496 1.00 49.46 ? 358 ASP A O 1 ATOM 1500 C CB . ASP A 1 276 ? 29.958 16.255 36.565 1.00 37.46 ? 358 ASP A CB 1 ATOM 1501 C CG . ASP A 1 276 ? 30.069 17.570 37.317 1.00 45.37 ? 358 ASP A CG 1 ATOM 1502 O OD1 . ASP A 1 276 ? 30.521 18.559 36.704 1.00 51.07 ? 358 ASP A OD1 1 ATOM 1503 O OD2 . ASP A 1 276 ? 29.704 17.626 38.510 1.00 47.62 ? 358 ASP A OD2 1 ATOM 1504 N N . SER A 1 277 ? 31.142 14.145 38.560 1.00 43.87 ? 359 SER A N 1 ATOM 1505 C CA . SER A 1 277 ? 31.454 13.759 39.936 1.00 46.89 ? 359 SER A CA 1 ATOM 1506 C C . SER A 1 277 ? 32.921 13.368 40.100 1.00 52.19 ? 359 SER A C 1 ATOM 1507 O O . SER A 1 277 ? 33.602 13.847 41.007 1.00 57.38 ? 359 SER A O 1 ATOM 1508 C CB . SER A 1 277 ? 30.553 12.606 40.381 1.00 44.01 ? 359 SER A CB 1 ATOM 1509 O OG . SER A 1 277 ? 29.185 12.961 40.286 1.00 48.52 ? 359 SER A OG 1 ATOM 1510 N N . SER A 1 278 ? 33.400 12.494 39.221 1.00 47.91 ? 360 SER A N 1 ATOM 1511 C CA . SER A 1 278 ? 34.791 12.058 39.252 1.00 43.13 ? 360 SER A CA 1 ATOM 1512 C C . SER A 1 278 ? 35.711 13.201 38.836 1.00 44.50 ? 360 SER A C 1 ATOM 1513 O O . SER A 1 278 ? 36.879 13.248 39.224 1.00 34.80 ? 360 SER A O 1 ATOM 1514 C CB . SER A 1 278 ? 35.002 10.849 38.340 1.00 39.76 ? 360 SER A CB 1 ATOM 1515 O OG . SER A 1 278 ? 34.231 9.744 38.779 1.00 45.90 ? 360 SER A OG 1 ATOM 1516 N N . GLY A 1 279 ? 35.170 14.117 38.040 1.00 46.57 ? 361 GLY A N 1 ATOM 1517 C CA . GLY A 1 279 ? 35.914 15.265 37.558 1.00 39.38 ? 361 GLY A CA 1 ATOM 1518 C C . GLY A 1 279 ? 36.228 16.243 38.673 1.00 36.46 ? 361 GLY A C 1 ATOM 1519 O O . GLY A 1 279 ? 37.320 16.808 38.724 1.00 28.81 ? 361 GLY A O 1 ATOM 1520 N N . HIS A 1 280 ? 35.264 16.445 39.564 1.00 45.57 ? 362 HIS A N 1 ATOM 1521 C CA . HIS A 1 280 ? 35.435 17.355 40.692 1.00 45.29 ? 362 HIS A CA 1 ATOM 1522 C C . HIS A 1 280 ? 36.448 16.824 41.706 1.00 42.79 ? 362 HIS A C 1 ATOM 1523 O O . HIS A 1 280 ? 37.360 17.541 42.114 1.00 46.25 ? 362 HIS A O 1 ATOM 1524 C CB . HIS A 1 280 ? 34.096 17.605 41.398 1.00 43.90 ? 362 HIS A CB 1 ATOM 1525 C CG . HIS A 1 280 ? 33.200 18.570 40.681 1.00 46.83 ? 362 HIS A CG 1 ATOM 1526 N ND1 . HIS A 1 280 ? 33.428 19.930 40.672 1.00 39.07 ? 362 HIS A ND1 1 ATOM 1527 C CD2 . HIS A 1 280 ? 32.069 18.374 39.963 1.00 50.79 ? 362 HIS A CD2 1 ATOM 1528 C CE1 . HIS A 1 280 ? 32.482 20.528 39.971 1.00 41.61 ? 362 HIS A CE1 1 ATOM 1529 N NE2 . HIS A 1 280 ? 31.644 19.607 39.529 1.00 50.36 ? 362 HIS A NE2 1 ATOM 1530 N N . SER A 1 281 ? 36.288 15.566 42.106 1.00 39.43 ? 363 SER A N 1 ATOM 1531 C CA . SER A 1 281 ? 37.049 15.023 43.228 1.00 41.50 ? 363 SER A CA 1 ATOM 1532 C C . SER A 1 281 ? 38.509 14.697 42.905 1.00 43.14 ? 363 SER A C 1 ATOM 1533 O O . SER A 1 281 ? 39.337 14.603 43.812 1.00 52.01 ? 363 SER A O 1 ATOM 1534 C CB . SER A 1 281 ? 36.352 13.785 43.798 1.00 26.71 ? 363 SER A CB 1 ATOM 1535 O OG . SER A 1 281 ? 36.340 12.730 42.854 1.00 49.84 ? 363 SER A OG 1 ATOM 1536 N N . HIS A 1 282 ? 38.828 14.522 41.626 1.00 30.66 ? 364 HIS A N 1 ATOM 1537 C CA . HIS A 1 282 ? 40.179 14.108 41.252 1.00 34.77 ? 364 HIS A CA 1 ATOM 1538 C C . HIS A 1 282 ? 40.801 14.925 40.117 1.00 50.01 ? 364 HIS A C 1 ATOM 1539 O O . HIS A 1 282 ? 42.008 14.844 39.884 1.00 51.30 ? 364 HIS A O 1 ATOM 1540 C CB . HIS A 1 282 ? 40.209 12.615 40.917 1.00 33.21 ? 364 HIS A CB 1 ATOM 1541 C CG . HIS A 1 282 ? 39.909 11.729 42.086 1.00 36.16 ? 364 HIS A CG 1 ATOM 1542 N ND1 . HIS A 1 282 ? 38.625 11.476 42.518 1.00 31.66 ? 364 HIS A ND1 1 ATOM 1543 C CD2 . HIS A 1 282 ? 40.728 11.043 42.918 1.00 38.29 ? 364 HIS A CD2 1 ATOM 1544 C CE1 . HIS A 1 282 ? 38.666 10.668 43.563 1.00 36.07 ? 364 HIS A CE1 1 ATOM 1545 N NE2 . HIS A 1 282 ? 39.930 10.390 43.826 1.00 42.93 ? 364 HIS A NE2 1 ATOM 1546 N N . GLY A 1 283 ? 39.987 15.705 39.412 1.00 50.80 ? 365 GLY A N 1 ATOM 1547 C CA . GLY A 1 283 ? 40.503 16.555 38.352 1.00 41.16 ? 365 GLY A CA 1 ATOM 1548 C C . GLY A 1 283 ? 40.283 15.991 36.962 1.00 47.68 ? 365 GLY A C 1 ATOM 1549 O O . GLY A 1 283 ? 40.098 14.785 36.808 1.00 45.22 ? 365 GLY A O 1 ATOM 1550 N N . PRO A 1 284 ? 40.302 16.865 35.939 1.00 44.56 ? 366 PRO A N 1 ATOM 1551 C CA . PRO A 1 284 ? 40.079 16.476 34.541 1.00 32.37 ? 366 PRO A CA 1 ATOM 1552 C C . PRO A 1 284 ? 41.109 15.456 34.073 1.00 39.34 ? 366 PRO A C 1 ATOM 1553 O O . PRO A 1 284 ? 40.798 14.588 33.258 1.00 48.42 ? 366 PRO A O 1 ATOM 1554 C CB . PRO A 1 284 ? 40.259 17.788 33.777 1.00 17.06 ? 366 PRO A CB 1 ATOM 1555 C CG . PRO A 1 284 ? 39.995 18.851 34.777 1.00 25.50 ? 366 PRO A CG 1 ATOM 1556 C CD . PRO A 1 284 ? 40.507 18.317 36.078 1.00 36.95 ? 366 PRO A CD 1 ATOM 1557 N N . VAL A 1 285 ? 42.332 15.582 34.576 1.00 37.28 ? 367 VAL A N 1 ATOM 1558 C CA . VAL A 1 285 ? 43.399 14.647 34.245 1.00 31.76 ? 367 VAL A CA 1 ATOM 1559 C C . VAL A 1 285 ? 43.674 13.718 35.435 1.00 36.54 ? 367 VAL A C 1 ATOM 1560 O O . VAL A 1 285 ? 44.504 13.995 36.304 1.00 41.32 ? 367 VAL A O 1 ATOM 1561 C CB . VAL A 1 285 ? 44.691 15.379 33.796 1.00 25.68 ? 367 VAL A CB 1 ATOM 1562 C CG1 . VAL A 1 285 ? 44.511 15.960 32.405 1.00 15.91 ? 367 VAL A CG1 1 ATOM 1563 C CG2 . VAL A 1 285 ? 45.105 16.462 34.800 1.00 43.14 ? 367 VAL A CG2 1 ATOM 1564 N N . SER A 1 286 ? 42.951 12.606 35.467 1.00 38.60 ? 368 SER A N 1 ATOM 1565 C CA . SER A 1 286 ? 43.077 11.645 36.552 1.00 46.66 ? 368 SER A CA 1 ATOM 1566 C C . SER A 1 286 ? 42.742 10.239 36.081 1.00 44.46 ? 368 SER A C 1 ATOM 1567 O O . SER A 1 286 ? 42.280 10.040 34.960 1.00 46.30 ? 368 SER A O 1 ATOM 1568 C CB . SER A 1 286 ? 42.162 12.030 37.719 1.00 54.88 ? 368 SER A CB 1 ATOM 1569 O OG . SER A 1 286 ? 40.800 11.997 37.332 1.00 56.06 ? 368 SER A OG 1 ATOM 1570 N N . SER A 1 287 ? 42.975 9.265 36.949 1.00 41.32 ? 369 SER A N 1 ATOM 1571 C CA . SER A 1 287 ? 42.644 7.886 36.640 1.00 37.43 ? 369 SER A CA 1 ATOM 1572 C C . SER A 1 287 ? 41.154 7.690 36.854 1.00 35.99 ? 369 SER A C 1 ATOM 1573 O O . SER A 1 287 ? 40.546 6.797 36.264 1.00 38.42 ? 369 SER A O 1 ATOM 1574 C CB . SER A 1 287 ? 43.442 6.929 37.527 1.00 42.30 ? 369 SER A CB 1 ATOM 1575 O OG . SER A 1 287 ? 44.824 6.985 37.232 1.00 39.71 ? 369 SER A OG 1 ATOM 1576 N N . GLU A 1 288 ? 40.569 8.528 37.704 1.00 41.87 ? 370 GLU A N 1 ATOM 1577 C CA . GLU A 1 288 ? 39.162 8.375 38.047 1.00 46.70 ? 370 GLU A CA 1 ATOM 1578 C C . GLU A 1 288 ? 38.238 8.842 36.927 1.00 42.26 ? 370 GLU A C 1 ATOM 1579 O O . GLU A 1 288 ? 37.147 8.299 36.752 1.00 31.45 ? 370 GLU A O 1 ATOM 1580 C CB . GLU A 1 288 ? 38.835 9.110 39.351 1.00 52.55 ? 370 GLU A CB 1 ATOM 1581 C CG . GLU A 1 288 ? 39.355 8.433 40.610 1.00 59.13 ? 370 GLU A CG 1 ATOM 1582 C CD . GLU A 1 288 ? 40.861 8.561 40.755 1.00 55.67 ? 370 GLU A CD 1 ATOM 1583 O OE1 . GLU A 1 288 ? 41.436 9.507 40.175 1.00 57.78 ? 370 GLU A OE1 1 ATOM 1584 O OE2 . GLU A 1 288 ? 41.469 7.721 41.451 1.00 42.34 ? 370 GLU A OE2 1 ATOM 1585 N N . VAL A 1 289 ? 38.670 9.847 36.169 1.00 46.57 ? 371 VAL A N 1 ATOM 1586 C CA . VAL A 1 289 ? 37.873 10.321 35.042 1.00 43.69 ? 371 VAL A CA 1 ATOM 1587 C C . VAL A 1 289 ? 37.931 9.336 33.881 1.00 38.92 ? 371 VAL A C 1 ATOM 1588 O O . VAL A 1 289 ? 36.953 9.151 33.161 1.00 43.93 ? 371 VAL A O 1 ATOM 1589 C CB . VAL A 1 289 ? 38.283 11.733 34.570 1.00 39.14 ? 371 VAL A CB 1 ATOM 1590 C CG1 . VAL A 1 289 ? 37.941 12.768 35.631 1.00 45.81 ? 371 VAL A CG1 1 ATOM 1591 C CG2 . VAL A 1 289 ? 39.755 11.778 34.212 1.00 41.26 ? 371 VAL A CG2 1 ATOM 1592 N N . ILE A 1 290 ? 39.088 8.700 33.717 1.00 25.64 ? 372 ILE A N 1 ATOM 1593 C CA . ILE A 1 290 ? 39.262 7.662 32.712 1.00 31.75 ? 372 ILE A CA 1 ATOM 1594 C C . ILE A 1 290 ? 38.338 6.496 33.034 1.00 40.02 ? 372 ILE A C 1 ATOM 1595 O O . ILE A 1 290 ? 37.666 5.957 32.154 1.00 47.65 ? 372 ILE A O 1 ATOM 1596 C CB . ILE A 1 290 ? 40.726 7.176 32.634 1.00 31.53 ? 372 ILE A CB 1 ATOM 1597 C CG1 . ILE A 1 290 ? 41.629 8.282 32.081 1.00 16.28 ? 372 ILE A CG1 1 ATOM 1598 C CG2 . ILE A 1 290 ? 40.836 5.903 31.801 1.00 16.61 ? 372 ILE A CG2 1 ATOM 1599 C CD1 . ILE A 1 290 ? 41.226 8.770 30.715 1.00 27.03 ? 372 ILE A CD1 1 ATOM 1600 N N . LYS A 1 291 ? 38.308 6.118 34.307 1.00 29.68 ? 373 LYS A N 1 ATOM 1601 C CA . LYS A 1 291 ? 37.404 5.079 34.775 1.00 36.69 ? 373 LYS A CA 1 ATOM 1602 C C . LYS A 1 291 ? 35.950 5.513 34.629 1.00 43.54 ? 373 LYS A C 1 ATOM 1603 O O . LYS A 1 291 ? 35.070 4.692 34.373 1.00 48.35 ? 373 LYS A O 1 ATOM 1604 C CB . LYS A 1 291 ? 37.701 4.718 36.232 1.00 45.79 ? 373 LYS A CB 1 ATOM 1605 C CG . LYS A 1 291 ? 38.975 3.918 36.439 1.00 46.28 ? 373 LYS A CG 1 ATOM 1606 C CD . LYS A 1 291 ? 39.122 3.511 37.896 1.00 49.34 ? 373 LYS A CD 1 ATOM 1607 C CE . LYS A 1 291 ? 40.371 2.680 38.119 1.00 58.23 ? 373 LYS A CE 1 ATOM 1608 N NZ . LYS A 1 291 ? 40.483 2.222 39.531 1.00 59.20 ? 373 LYS A NZ 1 ATOM 1609 N N . ALA A 1 292 ? 35.708 6.810 34.801 1.00 39.20 ? 374 ALA A N 1 ATOM 1610 C CA . ALA A 1 292 ? 34.368 7.367 34.647 1.00 32.50 ? 374 ALA A CA 1 ATOM 1611 C C . ALA A 1 292 ? 33.950 7.442 33.185 1.00 31.30 ? 374 ALA A C 1 ATOM 1612 O O . ALA A 1 292 ? 32.809 7.132 32.843 1.00 30.99 ? 374 ALA A O 1 ATOM 1613 C CB . ALA A 1 292 ? 34.298 8.750 35.282 1.00 28.72 ? 374 ALA A CB 1 ATOM 1614 N N . LEU A 1 293 ? 34.876 7.860 32.328 1.00 28.24 ? 375 LEU A N 1 ATOM 1615 C CA . LEU A 1 293 ? 34.610 7.949 30.897 1.00 24.01 ? 375 LEU A CA 1 ATOM 1616 C C . LEU A 1 293 ? 34.317 6.571 30.321 1.00 31.33 ? 375 LEU A C 1 ATOM 1617 O O . LEU A 1 293 ? 33.409 6.409 29.507 1.00 37.77 ? 375 LEU A O 1 ATOM 1618 C CB . LEU A 1 293 ? 35.785 8.593 30.161 1.00 22.73 ? 375 LEU A CB 1 ATOM 1619 C CG . LEU A 1 293 ? 35.947 10.103 30.350 1.00 24.08 ? 375 LEU A CG 1 ATOM 1620 C CD1 . LEU A 1 293 ? 37.149 10.618 29.575 1.00 30.28 ? 375 LEU A CD1 1 ATOM 1621 C CD2 . LEU A 1 293 ? 34.680 10.838 29.941 1.00 15.03 ? 375 LEU A CD2 1 ATOM 1622 N N . GLN A 1 294 ? 35.095 5.582 30.750 1.00 30.39 ? 376 GLN A N 1 ATOM 1623 C CA . GLN A 1 294 ? 34.899 4.207 30.313 1.00 26.69 ? 376 GLN A CA 1 ATOM 1624 C C . GLN A 1 294 ? 33.581 3.663 30.849 1.00 36.66 ? 376 GLN A C 1 ATOM 1625 O O . GLN A 1 294 ? 32.904 2.882 30.178 1.00 45.71 ? 376 GLN A O 1 ATOM 1626 C CB . GLN A 1 294 ? 36.071 3.326 30.752 1.00 28.06 ? 376 GLN A CB 1 ATOM 1627 C CG . GLN A 1 294 ? 37.349 3.578 29.963 1.00 31.32 ? 376 GLN A CG 1 ATOM 1628 C CD . GLN A 1 294 ? 38.486 2.665 30.375 1.00 37.41 ? 376 GLN A CD 1 ATOM 1629 O OE1 . GLN A 1 294 ? 38.513 2.153 31.494 1.00 43.88 ? 376 GLN A OE1 1 ATOM 1630 N NE2 . GLN A 1 294 ? 39.436 2.459 29.469 1.00 37.57 ? 376 GLN A NE2 1 ATOM 1631 N N . LYS A 1 295 ? 33.226 4.074 32.063 1.00 39.57 ? 377 LYS A N 1 ATOM 1632 C CA . LYS A 1 295 ? 31.968 3.655 32.670 1.00 37.75 ? 377 LYS A CA 1 ATOM 1633 C C . LYS A 1 295 ? 30.789 4.230 31.904 1.00 33.41 ? 377 LYS A C 1 ATOM 1634 O O . LYS A 1 295 ? 29.806 3.546 31.654 1.00 25.22 ? 377 LYS A O 1 ATOM 1635 C CB . LYS A 1 295 ? 31.896 4.076 34.138 1.00 39.18 ? 377 LYS A CB 1 ATOM 1636 C CG . LYS A 1 295 ? 30.589 3.672 34.812 1.00 47.14 ? 377 LYS A CG 1 ATOM 1637 C CD . LYS A 1 295 ? 30.516 4.154 36.249 1.00 52.32 ? 377 LYS A CD 1 ATOM 1638 C CE . LYS A 1 295 ? 31.515 3.426 37.129 1.00 52.74 ? 377 LYS A CE 1 ATOM 1639 N NZ . LYS A 1 295 ? 31.410 3.853 38.551 1.00 40.64 ? 377 LYS A NZ 1 ATOM 1640 N N . VAL A 1 296 ? 30.873 5.508 31.561 1.00 37.52 ? 378 VAL A N 1 ATOM 1641 C CA . VAL A 1 296 ? 29.793 6.137 30.818 1.00 29.81 ? 378 VAL A CA 1 ATOM 1642 C C . VAL A 1 296 ? 29.730 5.589 29.393 1.00 29.09 ? 378 VAL A C 1 ATOM 1643 O O . VAL A 1 296 ? 28.652 5.448 28.814 1.00 30.98 ? 378 VAL A O 1 ATOM 1644 C CB . VAL A 1 296 ? 29.955 7.669 30.808 1.00 18.03 ? 378 VAL A CB 1 ATOM 1645 C CG1 . VAL A 1 296 ? 29.033 8.298 29.799 1.00 20.64 ? 378 VAL A CG1 1 ATOM 1646 C CG2 . VAL A 1 296 ? 29.688 8.234 32.188 1.00 19.35 ? 378 VAL A CG2 1 ATOM 1647 N N . ASP A 1 297 ? 30.890 5.236 28.848 1.00 28.10 ? 379 ASP A N 1 ATOM 1648 C CA . ASP A 1 297 ? 30.958 4.693 27.498 1.00 37.25 ? 379 ASP A CA 1 ATOM 1649 C C . ASP A 1 297 ? 30.290 3.325 27.397 1.00 38.70 ? 379 ASP A C 1 ATOM 1650 O O . ASP A 1 297 ? 29.586 3.040 26.428 1.00 36.32 ? 379 ASP A O 1 ATOM 1651 C CB . ASP A 1 297 ? 32.419 4.587 27.046 1.00 48.15 ? 379 ASP A CB 1 ATOM 1652 C CG . ASP A 1 297 ? 32.559 3.994 25.653 1.00 58.21 ? 379 ASP A CG 1 ATOM 1653 O OD1 . ASP A 1 297 ? 32.477 4.755 24.667 1.00 54.59 ? 379 ASP A OD1 1 ATOM 1654 O OD2 . ASP A 1 297 ? 32.737 2.764 25.542 1.00 64.89 ? 379 ASP A OD2 1 ATOM 1655 N N . ARG A 1 298 ? 30.510 2.480 28.399 1.00 40.64 ? 380 ARG A N 1 ATOM 1656 C CA . ARG A 1 298 ? 29.926 1.142 28.394 1.00 45.50 ? 380 ARG A CA 1 ATOM 1657 C C . ARG A 1 298 ? 28.416 1.243 28.627 1.00 41.88 ? 380 ARG A C 1 ATOM 1658 O O . ARG A 1 298 ? 27.639 0.421 28.133 1.00 40.90 ? 380 ARG A O 1 ATOM 1659 C CB . ARG A 1 298 ? 30.590 0.251 29.450 1.00 54.52 ? 380 ARG A CB 1 ATOM 1660 C CG . ARG A 1 298 ? 30.477 0.762 30.875 1.00 76.17 ? 380 ARG A CG 1 ATOM 1661 C CD . ARG A 1 298 ? 31.167 -0.139 31.891 1.00 82.27 ? 380 ARG A CD 1 ATOM 1662 N NE . ARG A 1 298 ? 32.585 -0.319 31.584 1.00 76.34 ? 380 ARG A NE 1 ATOM 1663 C CZ . ARG A 1 298 ? 33.574 0.123 32.358 1.00 70.82 ? 380 ARG A CZ 1 ATOM 1664 N NH1 . ARG A 1 298 ? 34.837 -0.075 32.008 1.00 67.13 ? 380 ARG A NH1 1 ATOM 1665 N NH2 . ARG A 1 298 ? 33.298 0.764 33.485 1.00 73.07 ? 380 ARG A NH2 1 ATOM 1666 N N . LEU A 1 299 ? 28.014 2.254 29.392 1.00 42.06 ? 381 LEU A N 1 ATOM 1667 C CA . LEU A 1 299 ? 26.606 2.491 29.708 1.00 45.19 ? 381 LEU A CA 1 ATOM 1668 C C . LEU A 1 299 ? 25.809 2.916 28.478 1.00 41.12 ? 381 LEU A C 1 ATOM 1669 O O . LEU A 1 299 ? 24.641 2.549 28.324 1.00 34.70 ? 381 LEU A O 1 ATOM 1670 C CB . LEU A 1 299 ? 26.492 3.548 30.805 1.00 52.88 ? 381 LEU A CB 1 ATOM 1671 C CG . LEU A 1 299 ? 26.816 3.028 32.205 1.00 52.32 ? 381 LEU A CG 1 ATOM 1672 C CD1 . LEU A 1 299 ? 26.725 4.148 33.212 1.00 59.94 ? 381 LEU A CD1 1 ATOM 1673 C CD2 . LEU A 1 299 ? 25.879 1.893 32.582 1.00 45.52 ? 381 LEU A CD2 1 ATOM 1674 N N . VAL A 1 300 ? 26.448 3.688 27.605 1.00 39.91 ? 382 VAL A N 1 ATOM 1675 C CA . VAL A 1 300 ? 25.836 4.088 26.345 1.00 37.59 ? 382 VAL A CA 1 ATOM 1676 C C . VAL A 1 300 ? 25.750 2.875 25.425 1.00 40.88 ? 382 VAL A C 1 ATOM 1677 O O . VAL A 1 300 ? 24.773 2.703 24.695 1.00 44.46 ? 382 VAL A O 1 ATOM 1678 C CB . VAL A 1 300 ? 26.625 5.228 25.663 1.00 23.80 ? 382 VAL A CB 1 ATOM 1679 C CG1 . VAL A 1 300 ? 26.039 5.550 24.298 1.00 22.51 ? 382 VAL A CG1 1 ATOM 1680 C CG2 . VAL A 1 300 ? 26.630 6.466 26.540 1.00 21.37 ? 382 VAL A CG2 1 ATOM 1681 N N . GLY A 1 301 ? 26.773 2.028 25.481 1.00 42.90 ? 383 GLY A N 1 ATOM 1682 C CA . GLY A 1 301 ? 26.790 0.796 24.714 1.00 47.11 ? 383 GLY A CA 1 ATOM 1683 C C . GLY A 1 301 ? 25.672 -0.140 25.128 1.00 54.41 ? 383 GLY A C 1 ATOM 1684 O O . GLY A 1 301 ? 25.147 -0.893 24.309 1.00 60.26 ? 383 GLY A O 1 HETATM 1685 N N . MSE A 1 302 ? 25.310 -0.092 26.407 1.00 52.18 ? 384 MSE A N 1 HETATM 1686 C CA . MSE A 1 302 ? 24.205 -0.892 26.922 1.00 52.86 ? 384 MSE A CA 1 HETATM 1687 C C . MSE A 1 302 ? 22.886 -0.396 26.346 1.00 49.74 ? 384 MSE A C 1 HETATM 1688 O O . MSE A 1 302 ? 22.006 -1.189 26.007 1.00 56.47 ? 384 MSE A O 1 HETATM 1689 C CB . MSE A 1 302 ? 24.159 -0.831 28.451 1.00 64.16 ? 384 MSE A CB 1 HETATM 1690 C CG . MSE A 1 302 ? 22.978 -1.569 29.067 1.00 66.81 ? 384 MSE A CG 1 HETATM 1691 SE SE . MSE A 1 302 ? 22.900 -1.382 31.005 1.00 129.42 ? 384 MSE A SE 1 HETATM 1692 C CE . MSE A 1 302 ? 24.673 -2.071 31.436 1.00 53.21 ? 384 MSE A CE 1 ATOM 1693 N N . LEU A 1 303 ? 22.757 0.922 26.241 1.00 42.35 ? 385 LEU A N 1 ATOM 1694 C CA . LEU A 1 303 ? 21.563 1.532 25.674 1.00 45.12 ? 385 LEU A CA 1 ATOM 1695 C C . LEU A 1 303 ? 21.407 1.142 24.209 1.00 43.71 ? 385 LEU A C 1 ATOM 1696 O O . LEU A 1 303 ? 20.314 0.796 23.765 1.00 43.27 ? 385 LEU A O 1 ATOM 1697 C CB . LEU A 1 303 ? 21.620 3.055 25.804 1.00 41.51 ? 385 LEU A CB 1 ATOM 1698 C CG . LEU A 1 303 ? 20.564 3.840 25.022 1.00 36.86 ? 385 LEU A CG 1 ATOM 1699 C CD1 . LEU A 1 303 ? 19.164 3.509 25.521 1.00 42.25 ? 385 LEU A CD1 1 ATOM 1700 C CD2 . LEU A 1 303 ? 20.830 5.334 25.107 1.00 18.23 ? 385 LEU A CD2 1 HETATM 1701 N N . MSE A 1 304 ? 22.509 1.193 23.466 1.00 37.84 ? 386 MSE A N 1 HETATM 1702 C CA . MSE A 1 304 ? 22.490 0.863 22.046 1.00 39.58 ? 386 MSE A CA 1 HETATM 1703 C C . MSE A 1 304 ? 22.200 -0.618 21.815 1.00 42.85 ? 386 MSE A C 1 HETATM 1704 O O . MSE A 1 304 ? 21.531 -0.982 20.847 1.00 40.82 ? 386 MSE A O 1 HETATM 1705 C CB . MSE A 1 304 ? 23.808 1.264 21.378 1.00 45.56 ? 386 MSE A CB 1 HETATM 1706 C CG . MSE A 1 304 ? 24.128 2.748 21.485 1.00 47.54 ? 386 MSE A CG 1 HETATM 1707 SE SE . MSE A 1 304 ? 22.680 3.895 20.851 1.00 57.77 ? 386 MSE A SE 1 HETATM 1708 C CE . MSE A 1 304 ? 22.604 3.302 18.997 1.00 100.32 ? 386 MSE A CE 1 ATOM 1709 N N . ASP A 1 305 ? 22.704 -1.470 22.703 1.00 42.51 ? 387 ASP A N 1 ATOM 1710 C CA . ASP A 1 305 ? 22.377 -2.892 22.653 1.00 42.02 ? 387 ASP A CA 1 ATOM 1711 C C . ASP A 1 305 ? 20.917 -3.106 23.027 1.00 40.70 ? 387 ASP A C 1 ATOM 1712 O O . ASP A 1 305 ? 20.251 -3.992 22.490 1.00 35.50 ? 387 ASP A O 1 ATOM 1713 C CB . ASP A 1 305 ? 23.286 -3.703 23.580 1.00 43.46 ? 387 ASP A CB 1 ATOM 1714 C CG . ASP A 1 305 ? 24.692 -3.858 23.033 1.00 43.81 ? 387 ASP A CG 1 ATOM 1715 O OD1 . ASP A 1 305 ? 24.872 -3.723 21.805 1.00 41.15 ? 387 ASP A OD1 1 ATOM 1716 O OD2 . ASP A 1 305 ? 25.616 -4.127 23.830 1.00 42.15 ? 387 ASP A OD2 1 ATOM 1717 N N . GLY A 1 306 ? 20.425 -2.288 23.952 1.00 44.12 ? 388 GLY A N 1 ATOM 1718 C CA . GLY A 1 306 ? 19.033 -2.350 24.356 1.00 44.53 ? 388 GLY A CA 1 ATOM 1719 C C . GLY A 1 306 ? 18.105 -1.886 23.251 1.00 47.59 ? 388 GLY A C 1 ATOM 1720 O O . GLY A 1 306 ? 17.021 -2.438 23.066 1.00 49.34 ? 388 GLY A O 1 ATOM 1721 N N . LEU A 1 307 ? 18.532 -0.867 22.511 1.00 50.64 ? 389 LEU A N 1 ATOM 1722 C CA . LEU A 1 307 ? 17.762 -0.378 21.374 1.00 52.03 ? 389 LEU A CA 1 ATOM 1723 C C . LEU A 1 307 ? 17.753 -1.407 20.250 1.00 55.86 ? 389 LEU A C 1 ATOM 1724 O O . LEU A 1 307 ? 16.766 -1.542 19.526 1.00 53.52 ? 389 LEU A O 1 ATOM 1725 C CB . LEU A 1 307 ? 18.347 0.938 20.860 1.00 45.54 ? 389 LEU A CB 1 ATOM 1726 C CG . LEU A 1 307 ? 18.219 2.150 21.782 1.00 46.39 ? 389 LEU A CG 1 ATOM 1727 C CD1 . LEU A 1 307 ? 19.105 3.282 21.291 1.00 49.17 ? 389 LEU A CD1 1 ATOM 1728 C CD2 . LEU A 1 307 ? 16.771 2.595 21.883 1.00 46.36 ? 389 LEU A CD2 1 ATOM 1729 N N . LYS A 1 308 ? 18.862 -2.128 20.112 1.00 55.33 ? 390 LYS A N 1 ATOM 1730 C CA . LYS A 1 308 ? 19.000 -3.142 19.073 1.00 55.32 ? 390 LYS A CA 1 ATOM 1731 C C . LYS A 1 308 ? 18.123 -4.359 19.347 1.00 56.85 ? 390 LYS A C 1 ATOM 1732 O O . LYS A 1 308 ? 17.527 -4.925 18.431 1.00 61.03 ? 390 LYS A O 1 ATOM 1733 C CB . LYS A 1 308 ? 20.462 -3.570 18.935 1.00 56.11 ? 390 LYS A CB 1 ATOM 1734 C CG . LYS A 1 308 ? 20.704 -4.546 17.797 1.00 58.08 ? 390 LYS A CG 1 ATOM 1735 C CD . LYS A 1 308 ? 22.169 -4.914 17.672 1.00 49.31 ? 390 LYS A CD 1 ATOM 1736 C CE . LYS A 1 308 ? 22.382 -5.901 16.539 1.00 54.15 ? 390 LYS A CE 1 ATOM 1737 N NZ . LYS A 1 308 ? 23.779 -6.409 16.508 1.00 62.62 ? 390 LYS A NZ 1 ATOM 1738 N N . ASP A 1 309 ? 18.044 -4.754 20.614 1.00 53.99 ? 391 ASP A N 1 ATOM 1739 C CA . ASP A 1 309 ? 17.225 -5.896 21.009 1.00 58.22 ? 391 ASP A CA 1 ATOM 1740 C C . ASP A 1 309 ? 15.739 -5.569 20.905 1.00 58.45 ? 391 ASP A C 1 ATOM 1741 O O . ASP A 1 309 ? 14.894 -6.464 20.898 1.00 52.33 ? 391 ASP A O 1 ATOM 1742 C CB . ASP A 1 309 ? 17.577 -6.358 22.426 1.00 61.27 ? 391 ASP A CB 1 ATOM 1743 C CG . ASP A 1 309 ? 18.990 -6.902 22.527 1.00 66.68 ? 391 ASP A CG 1 ATOM 1744 O OD1 . ASP A 1 309 ? 19.548 -7.303 21.484 1.00 68.67 ? 391 ASP A OD1 1 ATOM 1745 O OD2 . ASP A 1 309 ? 19.542 -6.931 23.648 1.00 64.68 ? 391 ASP A OD2 1 ATOM 1746 N N . LEU A 1 310 ? 15.429 -4.279 20.824 1.00 58.17 ? 392 LEU A N 1 ATOM 1747 C CA . LEU A 1 310 ? 14.055 -3.826 20.656 1.00 55.73 ? 392 LEU A CA 1 ATOM 1748 C C . LEU A 1 310 ? 13.784 -3.503 19.190 1.00 49.69 ? 392 LEU A C 1 ATOM 1749 O O . LEU A 1 310 ? 12.672 -3.126 18.822 1.00 46.38 ? 392 LEU A O 1 ATOM 1750 C CB . LEU A 1 310 ? 13.774 -2.600 21.530 1.00 56.99 ? 392 LEU A CB 1 ATOM 1751 C CG . LEU A 1 310 ? 13.214 -2.820 22.939 1.00 59.62 ? 392 LEU A CG 1 ATOM 1752 C CD1 . LEU A 1 310 ? 14.125 -3.704 23.779 1.00 58.56 ? 392 LEU A CD1 1 ATOM 1753 C CD2 . LEU A 1 310 ? 12.979 -1.483 23.629 1.00 61.91 ? 392 LEU A CD2 1 ATOM 1754 N N . GLY A 1 311 ? 14.811 -3.655 18.359 1.00 48.12 ? 393 GLY A N 1 ATOM 1755 C CA . GLY A 1 311 ? 14.698 -3.371 16.939 1.00 53.38 ? 393 GLY A CA 1 ATOM 1756 C C . GLY A 1 311 ? 14.491 -1.895 16.660 1.00 56.53 ? 393 GLY A C 1 ATOM 1757 O O . GLY A 1 311 ? 13.744 -1.524 15.758 1.00 54.70 ? 393 GLY A O 1 ATOM 1758 N N . LEU A 1 312 ? 15.170 -1.051 17.430 1.00 54.88 ? 394 LEU A N 1 ATOM 1759 C CA . LEU A 1 312 ? 15.014 0.395 17.313 1.00 43.48 ? 394 LEU A CA 1 ATOM 1760 C C . LEU A 1 312 ? 16.343 1.108 17.086 1.00 35.38 ? 394 LEU A C 1 ATOM 1761 O O . LEU A 1 312 ? 16.407 2.336 17.136 1.00 23.29 ? 394 LEU A O 1 ATOM 1762 C CB . LEU A 1 312 ? 14.334 0.955 18.564 1.00 39.99 ? 394 LEU A CB 1 ATOM 1763 C CG . LEU A 1 312 ? 12.841 0.662 18.706 1.00 49.72 ? 394 LEU A CG 1 ATOM 1764 C CD1 . LEU A 1 312 ? 12.394 0.817 20.152 1.00 53.85 ? 394 LEU A CD1 1 ATOM 1765 C CD2 . LEU A 1 312 ? 12.030 1.567 17.789 1.00 52.69 ? 394 LEU A CD2 1 ATOM 1766 N N . ASP A 1 313 ? 17.401 0.342 16.843 1.00 38.32 ? 395 ASP A N 1 ATOM 1767 C CA . ASP A 1 313 ? 18.726 0.924 16.643 1.00 45.51 ? 395 ASP A CA 1 ATOM 1768 C C . ASP A 1 313 ? 18.813 1.793 15.385 1.00 42.60 ? 395 ASP A C 1 ATOM 1769 O O . ASP A 1 313 ? 19.695 2.645 15.273 1.00 33.94 ? 395 ASP A O 1 ATOM 1770 C CB . ASP A 1 313 ? 19.790 -0.178 16.607 1.00 54.91 ? 395 ASP A CB 1 ATOM 1771 C CG . ASP A 1 313 ? 19.494 -1.244 15.566 1.00 66.65 ? 395 ASP A CG 1 ATOM 1772 O OD1 . ASP A 1 313 ? 18.301 -1.473 15.272 1.00 70.58 ? 395 ASP A OD1 1 ATOM 1773 O OD2 . ASP A 1 313 ? 20.452 -1.847 15.038 1.00 66.18 ? 395 ASP A OD2 1 ATOM 1774 N N . LYS A 1 314 ? 17.902 1.572 14.444 1.00 35.66 ? 396 LYS A N 1 ATOM 1775 C CA . LYS A 1 314 ? 17.815 2.408 13.251 1.00 36.05 ? 396 LYS A CA 1 ATOM 1776 C C . LYS A 1 314 ? 16.467 3.123 13.193 1.00 46.80 ? 396 LYS A C 1 ATOM 1777 O O . LYS A 1 314 ? 15.964 3.433 12.113 1.00 54.23 ? 396 LYS A O 1 ATOM 1778 C CB . LYS A 1 314 ? 18.035 1.577 11.983 1.00 35.66 ? 396 LYS A CB 1 ATOM 1779 C CG . LYS A 1 314 ? 19.401 0.905 11.927 1.00 46.10 ? 396 LYS A CG 1 ATOM 1780 C CD . LYS A 1 314 ? 19.761 0.456 10.518 1.00 52.15 ? 396 LYS A CD 1 ATOM 1781 C CE . LYS A 1 314 ? 18.783 -0.572 9.978 1.00 67.27 ? 396 LYS A CE 1 ATOM 1782 N NZ . LYS A 1 314 ? 19.203 -1.061 8.634 1.00 73.02 ? 396 LYS A NZ 1 ATOM 1783 N N . CYS A 1 315 ? 15.888 3.383 14.361 1.00 45.10 ? 397 CYS A N 1 ATOM 1784 C CA . CYS A 1 315 ? 14.584 4.032 14.449 1.00 44.41 ? 397 CYS A CA 1 ATOM 1785 C C . CYS A 1 315 ? 14.524 5.033 15.604 1.00 44.02 ? 397 CYS A C 1 ATOM 1786 O O . CYS A 1 315 ? 13.443 5.407 16.061 1.00 46.40 ? 397 CYS A O 1 ATOM 1787 C CB . CYS A 1 315 ? 13.485 2.976 14.612 1.00 52.07 ? 397 CYS A CB 1 ATOM 1788 S SG . CYS A 1 315 ? 11.794 3.557 14.338 1.00 67.85 ? 397 CYS A SG 1 ATOM 1789 N N . LEU A 1 316 ? 15.688 5.470 16.074 1.00 40.34 ? 398 LEU A N 1 ATOM 1790 C CA . LEU A 1 316 ? 15.754 6.428 17.176 1.00 38.18 ? 398 LEU A CA 1 ATOM 1791 C C . LEU A 1 316 ? 16.739 7.559 16.902 1.00 44.15 ? 398 LEU A C 1 ATOM 1792 O O . LEU A 1 316 ? 17.850 7.327 16.423 1.00 57.32 ? 398 LEU A O 1 ATOM 1793 C CB . LEU A 1 316 ? 16.130 5.732 18.486 1.00 29.21 ? 398 LEU A CB 1 ATOM 1794 C CG . LEU A 1 316 ? 16.147 6.672 19.697 1.00 40.56 ? 398 LEU A CG 1 ATOM 1795 C CD1 . LEU A 1 316 ? 14.730 7.084 20.073 1.00 50.26 ? 398 LEU A CD1 1 ATOM 1796 C CD2 . LEU A 1 316 ? 16.861 6.056 20.885 1.00 51.30 ? 398 LEU A CD2 1 ATOM 1797 N N . ASN A 1 317 ? 16.323 8.784 17.211 1.00 26.14 ? 399 ASN A N 1 ATOM 1798 C CA . ASN A 1 317 ? 17.221 9.927 17.146 1.00 26.55 ? 399 ASN A CA 1 ATOM 1799 C C . ASN A 1 317 ? 17.884 10.174 18.493 1.00 32.75 ? 399 ASN A C 1 ATOM 1800 O O . ASN A 1 317 ? 17.217 10.529 19.465 1.00 40.97 ? 399 ASN A O 1 ATOM 1801 C CB . ASN A 1 317 ? 16.472 11.184 16.701 1.00 27.60 ? 399 ASN A CB 1 ATOM 1802 C CG . ASN A 1 317 ? 16.097 11.152 15.238 1.00 35.59 ? 399 ASN A CG 1 ATOM 1803 O OD1 . ASN A 1 317 ? 16.828 10.610 14.411 1.00 31.28 ? 399 ASN A OD1 1 ATOM 1804 N ND2 . ASN A 1 317 ? 14.947 11.731 14.910 1.00 47.07 ? 399 ASN A ND2 1 ATOM 1805 N N . LEU A 1 318 ? 19.198 9.981 18.547 1.00 25.64 ? 400 LEU A N 1 ATOM 1806 C CA . LEU A 1 318 ? 19.937 10.161 19.790 1.00 25.93 ? 400 LEU A CA 1 ATOM 1807 C C . LEU A 1 318 ? 20.760 11.445 19.784 1.00 25.59 ? 400 LEU A C 1 ATOM 1808 O O . LEU A 1 318 ? 21.494 11.723 18.834 1.00 17.79 ? 400 LEU A O 1 ATOM 1809 C CB . LEU A 1 318 ? 20.850 8.963 20.057 1.00 14.45 ? 400 LEU A CB 1 ATOM 1810 C CG . LEU A 1 318 ? 21.721 9.055 21.313 1.00 31.58 ? 400 LEU A CG 1 ATOM 1811 C CD1 . LEU A 1 318 ? 20.858 9.218 22.558 1.00 38.26 ? 400 LEU A CD1 1 ATOM 1812 C CD2 . LEU A 1 318 ? 22.632 7.842 21.443 1.00 25.40 ? 400 LEU A CD2 1 ATOM 1813 N N . ILE A 1 319 ? 20.630 12.221 20.853 1.00 25.59 ? 401 ILE A N 1 ATOM 1814 C CA . ILE A 1 319 ? 21.449 13.410 21.039 1.00 27.59 ? 401 ILE A CA 1 ATOM 1815 C C . ILE A 1 319 ? 22.254 13.287 22.329 1.00 33.20 ? 401 ILE A C 1 ATOM 1816 O O . ILE A 1 319 ? 21.748 13.550 23.420 1.00 24.89 ? 401 ILE A O 1 ATOM 1817 C CB . ILE A 1 319 ? 20.599 14.689 21.077 1.00 22.19 ? 401 ILE A CB 1 ATOM 1818 C CG1 . ILE A 1 319 ? 19.760 14.788 19.801 1.00 17.33 ? 401 ILE A CG1 1 ATOM 1819 C CG2 . ILE A 1 319 ? 21.481 15.913 21.221 1.00 14.69 ? 401 ILE A CG2 1 ATOM 1820 C CD1 . ILE A 1 319 ? 18.944 16.053 19.691 1.00 22.96 ? 401 ILE A CD1 1 ATOM 1821 N N . LEU A 1 320 ? 23.510 12.876 22.192 1.00 35.92 ? 402 LEU A N 1 ATOM 1822 C CA . LEU A 1 320 ? 24.406 12.730 23.332 1.00 28.50 ? 402 LEU A CA 1 ATOM 1823 C C . LEU A 1 320 ? 25.096 14.053 23.647 1.00 34.59 ? 402 LEU A C 1 ATOM 1824 O O . LEU A 1 320 ? 25.995 14.483 22.925 1.00 37.89 ? 402 LEU A O 1 ATOM 1825 C CB . LEU A 1 320 ? 25.438 11.643 23.048 1.00 19.23 ? 402 LEU A CB 1 ATOM 1826 C CG . LEU A 1 320 ? 26.296 11.205 24.230 1.00 26.26 ? 402 LEU A CG 1 ATOM 1827 C CD1 . LEU A 1 320 ? 25.414 10.737 25.373 1.00 33.37 ? 402 LEU A CD1 1 ATOM 1828 C CD2 . LEU A 1 320 ? 27.234 10.107 23.792 1.00 23.69 ? 402 LEU A CD2 1 ATOM 1829 N N . ILE A 1 321 ? 24.675 14.691 24.734 1.00 33.20 ? 403 ILE A N 1 ATOM 1830 C CA . ILE A 1 321 ? 25.096 16.053 25.029 1.00 25.29 ? 403 ILE A CA 1 ATOM 1831 C C . ILE A 1 321 ? 25.663 16.161 26.442 1.00 28.07 ? 403 ILE A C 1 ATOM 1832 O O . ILE A 1 321 ? 25.544 15.232 27.244 1.00 26.36 ? 403 ILE A O 1 ATOM 1833 C CB . ILE A 1 321 ? 23.906 17.022 24.871 1.00 23.33 ? 403 ILE A CB 1 ATOM 1834 C CG1 . ILE A 1 321 ? 24.378 18.416 24.458 1.00 27.29 ? 403 ILE A CG1 1 ATOM 1835 C CG2 . ILE A 1 321 ? 23.069 17.058 26.146 1.00 25.63 ? 403 ILE A CG2 1 ATOM 1836 C CD1 . ILE A 1 321 ? 23.245 19.384 24.228 1.00 26.75 ? 403 ILE A CD1 1 ATOM 1837 N N . SER A 1 322 ? 26.284 17.299 26.739 1.00 31.27 ? 404 SER A N 1 ATOM 1838 C CA . SER A 1 322 ? 26.722 17.610 28.094 1.00 28.49 ? 404 SER A CA 1 ATOM 1839 C C . SER A 1 322 ? 26.475 19.082 28.419 1.00 34.75 ? 404 SER A C 1 ATOM 1840 O O . SER A 1 322 ? 26.252 19.895 27.520 1.00 36.76 ? 404 SER A O 1 ATOM 1841 C CB . SER A 1 322 ? 28.199 17.260 28.290 1.00 28.59 ? 404 SER A CB 1 ATOM 1842 O OG . SER A 1 322 ? 29.035 18.082 27.497 1.00 36.09 ? 404 SER A OG 1 ATOM 1843 N N . ASP A 1 323 ? 26.520 19.420 29.704 1.00 42.02 ? 405 ASP A N 1 ATOM 1844 C CA . ASP A 1 323 ? 26.197 20.774 30.149 1.00 39.17 ? 405 ASP A CA 1 ATOM 1845 C C . ASP A 1 323 ? 27.389 21.722 30.104 1.00 37.29 ? 405 ASP A C 1 ATOM 1846 O O . ASP A 1 323 ? 27.246 22.893 29.751 1.00 31.59 ? 405 ASP A O 1 ATOM 1847 C CB . ASP A 1 323 ? 25.605 20.748 31.560 1.00 36.60 ? 405 ASP A CB 1 ATOM 1848 C CG . ASP A 1 323 ? 26.440 19.930 32.525 1.00 45.25 ? 405 ASP A CG 1 ATOM 1849 O OD1 . ASP A 1 323 ? 27.087 18.963 32.073 1.00 50.91 ? 405 ASP A OD1 1 ATOM 1850 O OD2 . ASP A 1 323 ? 26.456 20.254 33.733 1.00 40.37 ? 405 ASP A OD2 1 ATOM 1851 N N . HIS A 1 324 ? 28.563 21.208 30.455 1.00 40.34 ? 406 HIS A N 1 ATOM 1852 C CA . HIS A 1 324 ? 29.759 22.038 30.535 1.00 41.66 ? 406 HIS A CA 1 ATOM 1853 C C . HIS A 1 324 ? 31.040 21.214 30.532 1.00 40.44 ? 406 HIS A C 1 ATOM 1854 O O . HIS A 1 324 ? 31.015 20.002 30.325 1.00 41.88 ? 406 HIS A O 1 ATOM 1855 C CB . HIS A 1 324 ? 29.714 22.901 31.798 1.00 36.25 ? 406 HIS A CB 1 ATOM 1856 C CG . HIS A 1 324 ? 29.408 22.135 33.047 1.00 37.50 ? 406 HIS A CG 1 ATOM 1857 N ND1 . HIS A 1 324 ? 30.218 21.125 33.520 1.00 39.63 ? 406 HIS A ND1 1 ATOM 1858 C CD2 . HIS A 1 324 ? 28.382 22.236 33.924 1.00 46.33 ? 406 HIS A CD2 1 ATOM 1859 C CE1 . HIS A 1 324 ? 29.701 20.635 34.632 1.00 47.00 ? 406 HIS A CE1 1 ATOM 1860 N NE2 . HIS A 1 324 ? 28.587 21.292 34.899 1.00 53.75 ? 406 HIS A NE2 1 ATOM 1861 N N . GLY A 1 325 ? 32.162 21.887 30.764 1.00 36.67 ? 407 GLY A N 1 ATOM 1862 C CA . GLY A 1 325 ? 33.453 21.227 30.816 1.00 33.14 ? 407 GLY A CA 1 ATOM 1863 C C . GLY A 1 325 ? 33.977 21.100 32.234 1.00 32.31 ? 407 GLY A C 1 ATOM 1864 O O . GLY A 1 325 ? 33.202 21.089 33.190 1.00 30.12 ? 407 GLY A O 1 HETATM 1865 N N . MSE A 1 326 ? 35.297 21.012 32.371 1.00 28.62 ? 408 MSE A N 1 HETATM 1866 C CA . MSE A 1 326 ? 35.923 20.845 33.677 1.00 32.25 ? 408 MSE A CA 1 HETATM 1867 C C . MSE A 1 326 ? 37.328 21.438 33.693 1.00 40.49 ? 408 MSE A C 1 HETATM 1868 O O . MSE A 1 326 ? 38.123 21.200 32.783 1.00 43.86 ? 408 MSE A O 1 HETATM 1869 C CB . MSE A 1 326 ? 35.977 19.363 34.053 1.00 40.87 ? 408 MSE A CB 1 HETATM 1870 C CG . MSE A 1 326 ? 36.476 19.096 35.462 1.00 46.85 ? 408 MSE A CG 1 HETATM 1871 SE SE . MSE A 1 326 ? 35.234 19.712 36.831 1.00 55.78 ? 408 MSE A SE 1 HETATM 1872 C CE . MSE A 1 326 ? 33.727 18.550 36.411 1.00 26.71 ? 408 MSE A CE 1 ATOM 1873 N N . GLU A 1 327 ? 37.629 22.212 34.732 1.00 44.93 ? 409 GLU A N 1 ATOM 1874 C CA . GLU A 1 327 ? 38.941 22.835 34.867 1.00 37.68 ? 409 GLU A CA 1 ATOM 1875 C C . GLU A 1 327 ? 39.588 22.481 36.205 1.00 37.34 ? 409 GLU A C 1 ATOM 1876 O O . GLU A 1 327 ? 38.903 22.350 37.220 1.00 42.94 ? 409 GLU A O 1 ATOM 1877 C CB . GLU A 1 327 ? 38.826 24.353 34.718 1.00 34.07 ? 409 GLU A CB 1 ATOM 1878 C CG . GLU A 1 327 ? 40.152 25.092 34.732 1.00 44.01 ? 409 GLU A CG 1 ATOM 1879 C CD . GLU A 1 327 ? 41.081 24.638 33.625 1.00 45.58 ? 409 GLU A CD 1 ATOM 1880 O OE1 . GLU A 1 327 ? 42.091 23.975 33.936 1.00 33.30 ? 409 GLU A OE1 1 ATOM 1881 O OE2 . GLU A 1 327 ? 40.803 24.947 32.445 1.00 51.61 ? 409 GLU A OE2 1 ATOM 1882 N N . GLN A 1 328 ? 40.908 22.324 36.198 1.00 30.24 ? 410 GLN A N 1 ATOM 1883 C CA . GLN A 1 328 ? 41.653 21.987 37.407 1.00 33.57 ? 410 GLN A CA 1 ATOM 1884 C C . GLN A 1 328 ? 41.880 23.197 38.309 1.00 43.22 ? 410 GLN A C 1 ATOM 1885 O O . GLN A 1 328 ? 42.593 24.132 37.942 1.00 43.43 ? 410 GLN A O 1 ATOM 1886 C CB . GLN A 1 328 ? 42.999 21.356 37.053 1.00 26.16 ? 410 GLN A CB 1 ATOM 1887 C CG . GLN A 1 328 ? 43.857 21.038 38.262 1.00 28.02 ? 410 GLN A CG 1 ATOM 1888 C CD . GLN A 1 328 ? 43.149 20.128 39.248 1.00 38.56 ? 410 GLN A CD 1 ATOM 1889 O OE1 . GLN A 1 328 ? 42.769 19.005 38.913 1.00 46.97 ? 410 GLN A OE1 1 ATOM 1890 N NE2 . GLN A 1 328 ? 42.962 20.612 40.470 1.00 34.54 ? 410 GLN A NE2 1 ATOM 1891 N N . GLY A 1 329 ? 41.264 23.179 39.487 1.00 48.18 ? 411 GLY A N 1 ATOM 1892 C CA . GLY A 1 329 ? 41.428 24.254 40.448 1.00 53.24 ? 411 GLY A CA 1 ATOM 1893 C C . GLY A 1 329 ? 42.704 24.114 41.254 1.00 53.23 ? 411 GLY A C 1 ATOM 1894 O O . GLY A 1 329 ? 43.279 23.029 41.334 1.00 53.40 ? 411 GLY A O 1 ATOM 1895 N N . SER A 1 330 ? 43.149 25.215 41.851 1.00 53.80 ? 412 SER A N 1 ATOM 1896 C CA . SER A 1 330 ? 44.376 25.211 42.640 1.00 48.46 ? 412 SER A CA 1 ATOM 1897 C C . SER A 1 330 ? 44.250 26.105 43.868 1.00 60.25 ? 412 SER A C 1 ATOM 1898 O O . SER A 1 330 ? 43.536 27.108 43.847 1.00 75.19 ? 412 SER A O 1 ATOM 1899 C CB . SER A 1 330 ? 45.559 25.667 41.785 1.00 33.45 ? 412 SER A CB 1 ATOM 1900 O OG . SER A 1 330 ? 46.760 25.671 42.537 1.00 36.18 ? 412 SER A OG 1 ATOM 1901 N N . CYS A 1 331 ? 44.947 25.736 44.938 1.00 58.13 ? 413 CYS A N 1 ATOM 1902 C CA . CYS A 1 331 ? 44.965 26.540 46.155 1.00 47.81 ? 413 CYS A CA 1 ATOM 1903 C C . CYS A 1 331 ? 45.732 27.836 45.933 1.00 44.34 ? 413 CYS A C 1 ATOM 1904 O O . CYS A 1 331 ? 45.390 28.875 46.496 1.00 45.26 ? 413 CYS A O 1 ATOM 1905 C CB . CYS A 1 331 ? 45.589 25.751 47.307 1.00 43.47 ? 413 CYS A CB 1 ATOM 1906 S SG . CYS A 1 331 ? 44.668 24.268 47.777 1.00 71.93 ? 413 CYS A SG 1 ATOM 1907 N N . LYS A 1 332 ? 46.771 27.769 45.108 1.00 46.01 ? 414 LYS A N 1 ATOM 1908 C CA . LYS A 1 332 ? 47.584 28.941 44.819 1.00 57.60 ? 414 LYS A CA 1 ATOM 1909 C C . LYS A 1 332 ? 46.831 29.911 43.918 1.00 68.80 ? 414 LYS A C 1 ATOM 1910 O O . LYS A 1 332 ? 47.093 31.115 43.929 1.00 78.37 ? 414 LYS A O 1 ATOM 1911 C CB . LYS A 1 332 ? 48.911 28.535 44.173 1.00 57.29 ? 414 LYS A CB 1 ATOM 1912 N N . LYS A 1 333 ? 45.895 29.380 43.137 1.00 68.94 ? 415 LYS A N 1 ATOM 1913 C CA . LYS A 1 333 ? 45.115 30.204 42.222 1.00 68.09 ? 415 LYS A CA 1 ATOM 1914 C C . LYS A 1 333 ? 43.685 30.422 42.713 1.00 59.45 ? 415 LYS A C 1 ATOM 1915 O O . LYS A 1 333 ? 42.723 29.983 42.081 1.00 46.11 ? 415 LYS A O 1 ATOM 1916 C CB . LYS A 1 333 ? 45.109 29.580 40.825 1.00 67.34 ? 415 LYS A CB 1 ATOM 1917 C CG . LYS A 1 333 ? 46.505 29.325 40.279 1.00 75.45 ? 415 LYS A CG 1 ATOM 1918 C CD . LYS A 1 333 ? 46.490 29.025 38.790 1.00 78.97 ? 415 LYS A CD 1 ATOM 1919 C CE . LYS A 1 333 ? 47.904 28.823 38.262 1.00 80.92 ? 415 LYS A CE 1 ATOM 1920 N NZ . LYS A 1 333 ? 47.951 28.765 36.774 1.00 77.51 ? 415 LYS A NZ 1 ATOM 1921 N N . TYR A 1 334 ? 43.557 31.104 43.847 1.00 61.40 ? 416 TYR A N 1 ATOM 1922 C CA . TYR A 1 334 ? 42.254 31.419 44.420 1.00 61.01 ? 416 TYR A CA 1 ATOM 1923 C C . TYR A 1 334 ? 42.259 32.841 44.968 1.00 68.29 ? 416 TYR A C 1 ATOM 1924 O O . TYR A 1 334 ? 43.256 33.296 45.529 1.00 78.58 ? 416 TYR A O 1 ATOM 1925 C CB . TYR A 1 334 ? 41.893 30.430 45.528 1.00 54.11 ? 416 TYR A CB 1 ATOM 1926 C CG . TYR A 1 334 ? 40.429 30.045 45.546 1.00 43.25 ? 416 TYR A CG 1 ATOM 1927 C CD1 . TYR A 1 334 ? 40.024 28.749 45.249 1.00 37.15 ? 416 TYR A CD1 1 ATOM 1928 C CD2 . TYR A 1 334 ? 39.453 30.981 45.857 1.00 32.81 ? 416 TYR A CD2 1 ATOM 1929 C CE1 . TYR A 1 334 ? 38.684 28.398 45.267 1.00 36.66 ? 416 TYR A CE1 1 ATOM 1930 C CE2 . TYR A 1 334 ? 38.114 30.641 45.875 1.00 32.00 ? 416 TYR A CE2 1 ATOM 1931 C CZ . TYR A 1 334 ? 37.734 29.349 45.580 1.00 36.17 ? 416 TYR A CZ 1 ATOM 1932 O OH . TYR A 1 334 ? 36.400 29.010 45.597 1.00 31.16 ? 416 TYR A OH 1 ATOM 1933 N N . VAL A 1 335 ? 41.140 33.537 44.805 1.00 62.05 ? 417 VAL A N 1 ATOM 1934 C CA . VAL A 1 335 ? 41.030 34.927 45.234 1.00 58.40 ? 417 VAL A CA 1 ATOM 1935 C C . VAL A 1 335 ? 40.083 35.075 46.420 1.00 62.95 ? 417 VAL A C 1 ATOM 1936 O O . VAL A 1 335 ? 38.938 34.628 46.374 1.00 60.08 ? 417 VAL A O 1 ATOM 1937 C CB . VAL A 1 335 ? 40.553 35.834 44.085 1.00 53.28 ? 417 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 335 ? 40.364 37.258 44.581 1.00 44.66 ? 417 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 335 ? 41.549 35.796 42.938 1.00 54.63 ? 417 VAL A CG2 1 ATOM 1940 N N . TYR A 1 336 ? 40.577 35.698 47.485 1.00 62.23 ? 418 TYR A N 1 ATOM 1941 C CA . TYR A 1 336 ? 39.776 35.933 48.678 1.00 54.85 ? 418 TYR A CA 1 ATOM 1942 C C . TYR A 1 336 ? 39.547 37.432 48.864 1.00 54.79 ? 418 TYR A C 1 ATOM 1943 O O . TYR A 1 336 ? 40.497 38.202 48.992 1.00 48.95 ? 418 TYR A O 1 ATOM 1944 C CB . TYR A 1 336 ? 40.458 35.328 49.905 1.00 54.43 ? 418 TYR A CB 1 ATOM 1945 C CG . TYR A 1 336 ? 40.807 33.865 49.726 1.00 55.76 ? 418 TYR A CG 1 ATOM 1946 C CD1 . TYR A 1 336 ? 39.819 32.885 49.738 1.00 53.68 ? 418 TYR A CD1 1 ATOM 1947 C CD2 . TYR A 1 336 ? 42.123 33.466 49.532 1.00 38.10 ? 418 TYR A CD2 1 ATOM 1948 C CE1 . TYR A 1 336 ? 40.135 31.547 49.567 1.00 51.97 ? 418 TYR A CE1 1 ATOM 1949 C CE2 . TYR A 1 336 ? 42.449 32.133 49.362 1.00 61.27 ? 418 TYR A CE2 1 ATOM 1950 C CZ . TYR A 1 336 ? 41.451 31.178 49.380 1.00 58.21 ? 418 TYR A CZ 1 ATOM 1951 O OH . TYR A 1 336 ? 41.773 29.851 49.211 1.00 35.70 ? 418 TYR A OH 1 ATOM 1952 N N . LEU A 1 337 ? 38.277 37.835 48.874 1.00 70.16 ? 419 LEU A N 1 ATOM 1953 C CA . LEU A 1 337 ? 37.898 39.249 48.933 1.00 80.30 ? 419 LEU A CA 1 ATOM 1954 C C . LEU A 1 337 ? 38.306 39.947 50.229 1.00 84.53 ? 419 LEU A C 1 ATOM 1955 O O . LEU A 1 337 ? 38.471 41.168 50.257 1.00 85.43 ? 419 LEU A O 1 ATOM 1956 C CB . LEU A 1 337 ? 36.390 39.411 48.714 1.00 78.37 ? 419 LEU A CB 1 ATOM 1957 C CG . LEU A 1 337 ? 35.858 39.210 47.290 1.00 68.81 ? 419 LEU A CG 1 ATOM 1958 C CD1 . LEU A 1 337 ? 34.407 39.656 47.192 1.00 69.08 ? 419 LEU A CD1 1 ATOM 1959 C CD2 . LEU A 1 337 ? 36.716 39.948 46.273 1.00 63.90 ? 419 LEU A CD2 1 ATOM 1960 N N . ASN A 1 338 ? 38.462 39.174 51.298 1.00 80.34 ? 420 ASN A N 1 ATOM 1961 C CA . ASN A 1 338 ? 38.793 39.720 52.614 1.00 72.34 ? 420 ASN A CA 1 ATOM 1962 C C . ASN A 1 338 ? 40.129 40.469 52.624 1.00 71.85 ? 420 ASN A C 1 ATOM 1963 O O . ASN A 1 338 ? 40.334 41.384 53.420 1.00 81.21 ? 420 ASN A O 1 ATOM 1964 C CB . ASN A 1 338 ? 38.768 38.627 53.686 1.00 68.23 ? 420 ASN A CB 1 ATOM 1965 C CG . ASN A 1 338 ? 39.701 37.471 53.375 1.00 72.87 ? 420 ASN A CG 1 ATOM 1966 O OD1 . ASN A 1 338 ? 40.825 37.663 52.914 1.00 74.88 ? 420 ASN A OD1 1 ATOM 1967 N ND2 . ASN A 1 338 ? 39.237 36.257 53.645 1.00 75.71 ? 420 ASN A ND2 1 ATOM 1968 N N . LYS A 1 339 ? 41.033 40.071 51.736 1.00 64.72 ? 421 LYS A N 1 ATOM 1969 C CA . LYS A 1 339 ? 42.355 40.681 51.654 1.00 66.69 ? 421 LYS A CA 1 ATOM 1970 C C . LYS A 1 339 ? 42.274 42.155 51.254 1.00 69.22 ? 421 LYS A C 1 ATOM 1971 O O . LYS A 1 339 ? 43.176 42.943 51.544 1.00 73.73 ? 421 LYS A O 1 ATOM 1972 C CB . LYS A 1 339 ? 43.236 39.902 50.670 1.00 64.12 ? 421 LYS A CB 1 ATOM 1973 C CG . LYS A 1 339 ? 44.646 40.440 50.492 1.00 67.42 ? 421 LYS A CG 1 ATOM 1974 C CD . LYS A 1 339 ? 45.413 39.620 49.465 1.00 64.91 ? 421 LYS A CD 1 ATOM 1975 C CE . LYS A 1 339 ? 46.832 40.135 49.295 1.00 63.97 ? 421 LYS A CE 1 ATOM 1976 N NZ . LYS A 1 339 ? 47.620 39.282 48.365 1.00 63.93 ? 421 LYS A NZ 1 ATOM 1977 N N . TYR A 1 340 ? 41.178 42.527 50.604 1.00 65.59 ? 422 TYR A N 1 ATOM 1978 C CA . TYR A 1 340 ? 40.970 43.906 50.179 1.00 69.17 ? 422 TYR A CA 1 ATOM 1979 C C . TYR A 1 340 ? 39.881 44.570 51.018 1.00 73.31 ? 422 TYR A C 1 ATOM 1980 O O . TYR A 1 340 ? 39.814 45.796 51.105 1.00 77.76 ? 422 TYR A O 1 ATOM 1981 C CB . TYR A 1 340 ? 40.605 43.959 48.697 1.00 66.31 ? 422 TYR A CB 1 ATOM 1982 C CG . TYR A 1 340 ? 41.558 43.188 47.815 1.00 65.51 ? 422 TYR A CG 1 ATOM 1983 C CD1 . TYR A 1 340 ? 41.245 41.909 47.375 1.00 59.07 ? 422 TYR A CD1 1 ATOM 1984 C CD2 . TYR A 1 340 ? 42.776 43.736 47.430 1.00 63.61 ? 422 TYR A CD2 1 ATOM 1985 C CE1 . TYR A 1 340 ? 42.114 41.197 46.570 1.00 59.22 ? 422 TYR A CE1 1 ATOM 1986 C CE2 . TYR A 1 340 ? 43.653 43.032 46.625 1.00 66.22 ? 422 TYR A CE2 1 ATOM 1987 C CZ . TYR A 1 340 ? 43.317 41.765 46.198 1.00 64.36 ? 422 TYR A CZ 1 ATOM 1988 O OH . TYR A 1 340 ? 44.185 41.060 45.398 1.00 58.84 ? 422 TYR A OH 1 ATOM 1989 N N . LEU A 1 341 ? 39.032 43.754 51.637 1.00 68.46 ? 423 LEU A N 1 ATOM 1990 C CA . LEU A 1 341 ? 37.902 44.275 52.398 1.00 77.81 ? 423 LEU A CA 1 ATOM 1991 C C . LEU A 1 341 ? 38.020 44.060 53.906 1.00 93.52 ? 423 LEU A C 1 ATOM 1992 O O . LEU A 1 341 ? 37.596 44.911 54.690 1.00 95.41 ? 423 LEU A O 1 ATOM 1993 C CB . LEU A 1 341 ? 36.598 43.643 51.904 1.00 73.43 ? 423 LEU A CB 1 ATOM 1994 C CG . LEU A 1 341 ? 36.294 43.709 50.407 1.00 72.91 ? 423 LEU A CG 1 ATOM 1995 C CD1 . LEU A 1 341 ? 34.970 43.020 50.107 1.00 73.01 ? 423 LEU A CD1 1 ATOM 1996 C CD2 . LEU A 1 341 ? 36.275 45.150 49.925 1.00 66.73 ? 423 LEU A CD2 1 ATOM 1997 N N . GLY A 1 342 ? 38.596 42.932 54.313 1.00 99.39 ? 424 GLY A N 1 ATOM 1998 C CA . GLY A 1 342 ? 38.682 42.611 55.726 1.00 97.62 ? 424 GLY A CA 1 ATOM 1999 C C . GLY A 1 342 ? 37.584 41.635 56.092 1.00 97.58 ? 424 GLY A C 1 ATOM 2000 O O . GLY A 1 342 ? 36.691 41.380 55.284 1.00 100.70 ? 424 GLY A O 1 ATOM 2001 N N . ASP A 1 343 ? 37.643 41.081 57.298 1.00 94.82 ? 425 ASP A N 1 ATOM 2002 C CA . ASP A 1 343 ? 36.625 40.136 57.746 1.00 86.72 ? 425 ASP A CA 1 ATOM 2003 C C . ASP A 1 343 ? 35.290 40.851 57.947 1.00 93.98 ? 425 ASP A C 1 ATOM 2004 O O . ASP A 1 343 ? 34.801 40.982 59.068 1.00 101.32 ? 425 ASP A O 1 ATOM 2005 C CB . ASP A 1 343 ? 37.063 39.434 59.031 1.00 75.16 ? 425 ASP A CB 1 ATOM 2006 N N . VAL A 1 344 ? 34.710 41.307 56.841 1.00 91.05 ? 426 VAL A N 1 ATOM 2007 C CA . VAL A 1 344 ? 33.447 42.035 56.850 1.00 91.62 ? 426 VAL A CA 1 ATOM 2008 C C . VAL A 1 344 ? 32.256 41.091 56.747 1.00 81.96 ? 426 VAL A C 1 ATOM 2009 O O . VAL A 1 344 ? 32.376 39.976 56.239 1.00 70.16 ? 426 VAL A O 1 ATOM 2010 C CB . VAL A 1 344 ? 33.385 43.059 55.702 1.00 95.62 ? 426 VAL A CB 1 ATOM 2011 C CG1 . VAL A 1 344 ? 34.421 44.153 55.910 1.00 96.49 ? 426 VAL A CG1 1 ATOM 2012 C CG2 . VAL A 1 344 ? 33.597 42.369 54.364 1.00 99.39 ? 426 VAL A CG2 1 ATOM 2013 N N . ASN A 1 345 ? 31.107 41.544 57.236 1.00 87.81 ? 427 ASN A N 1 ATOM 2014 C CA . ASN A 1 345 ? 29.902 40.725 57.225 1.00 95.23 ? 427 ASN A CA 1 ATOM 2015 C C . ASN A 1 345 ? 28.726 41.425 56.549 1.00 105.09 ? 427 ASN A C 1 ATOM 2016 O O . ASN A 1 345 ? 27.589 40.962 56.634 1.00 114.10 ? 427 ASN A O 1 ATOM 2017 C CB . ASN A 1 345 ? 29.520 40.321 58.651 1.00 95.68 ? 427 ASN A CB 1 ATOM 2018 C CG . ASN A 1 345 ? 30.575 39.459 59.315 1.00 92.14 ? 427 ASN A CG 1 ATOM 2019 O OD1 . ASN A 1 345 ? 30.522 38.231 59.249 1.00 93.42 ? 427 ASN A OD1 1 ATOM 2020 N ND2 . ASN A 1 345 ? 31.543 40.100 59.962 1.00 88.58 ? 427 ASN A ND2 1 ATOM 2021 N N . ASN A 1 346 ? 29.004 42.541 55.882 1.00 100.87 ? 428 ASN A N 1 ATOM 2022 C CA . ASN A 1 346 ? 27.963 43.298 55.195 1.00 94.74 ? 428 ASN A CA 1 ATOM 2023 C C . ASN A 1 346 ? 27.709 42.824 53.766 1.00 88.22 ? 428 ASN A C 1 ATOM 2024 O O . ASN A 1 346 ? 26.769 43.279 53.116 1.00 89.14 ? 428 ASN A O 1 ATOM 2025 C CB . ASN A 1 346 ? 28.297 44.790 55.198 1.00 95.26 ? 428 ASN A CB 1 ATOM 2026 C CG . ASN A 1 346 ? 29.624 45.091 54.528 1.00 98.74 ? 428 ASN A CG 1 ATOM 2027 O OD1 . ASN A 1 346 ? 30.566 44.304 54.611 1.00 98.71 ? 428 ASN A OD1 1 ATOM 2028 N ND2 . ASN A 1 346 ? 29.703 46.236 53.860 1.00 100.94 ? 428 ASN A ND2 1 ATOM 2029 N N . VAL A 1 347 ? 28.548 41.913 53.278 1.00 80.62 ? 429 VAL A N 1 ATOM 2030 C CA . VAL A 1 347 ? 28.414 41.419 51.909 1.00 71.36 ? 429 VAL A CA 1 ATOM 2031 C C . VAL A 1 347 ? 28.372 39.892 51.822 1.00 78.86 ? 429 VAL A C 1 ATOM 2032 O O . VAL A 1 347 ? 29.011 39.194 52.610 1.00 81.68 ? 429 VAL A O 1 ATOM 2033 C CB . VAL A 1 347 ? 29.554 41.939 51.004 1.00 57.51 ? 429 VAL A CB 1 ATOM 2034 C CG1 . VAL A 1 347 ? 29.451 43.446 50.828 1.00 64.92 ? 429 VAL A CG1 1 ATOM 2035 C CG2 . VAL A 1 347 ? 30.913 41.550 51.572 1.00 50.29 ? 429 VAL A CG2 1 ATOM 2036 N N . LYS A 1 348 ? 27.606 39.385 50.860 1.00 81.09 ? 430 LYS A N 1 ATOM 2037 C CA . LYS A 1 348 ? 27.524 37.949 50.612 1.00 74.08 ? 430 LYS A CA 1 ATOM 2038 C C . LYS A 1 348 ? 28.101 37.619 49.240 1.00 64.29 ? 430 LYS A C 1 ATOM 2039 O O . LYS A 1 348 ? 27.783 38.281 48.251 1.00 48.13 ? 430 LYS A O 1 ATOM 2040 C CB . LYS A 1 348 ? 26.076 37.463 50.704 1.00 42.82 ? 430 LYS A CB 1 ATOM 2041 N N . VAL A 1 349 ? 28.949 36.599 49.179 1.00 67.62 ? 431 VAL A N 1 ATOM 2042 C CA . VAL A 1 349 ? 29.613 36.240 47.931 1.00 57.20 ? 431 VAL A CA 1 ATOM 2043 C C . VAL A 1 349 ? 29.304 34.814 47.489 1.00 57.49 ? 431 VAL A C 1 ATOM 2044 O O . VAL A 1 349 ? 29.605 33.855 48.201 1.00 61.40 ? 431 VAL A O 1 ATOM 2045 C CB . VAL A 1 349 ? 31.141 36.395 48.047 1.00 43.46 ? 431 VAL A CB 1 ATOM 2046 C CG1 . VAL A 1 349 ? 31.822 35.939 46.764 1.00 38.21 ? 431 VAL A CG1 1 ATOM 2047 C CG2 . VAL A 1 349 ? 31.501 37.834 48.366 1.00 43.59 ? 431 VAL A CG2 1 ATOM 2048 N N . VAL A 1 350 ? 28.703 34.677 46.313 1.00 53.59 ? 432 VAL A N 1 ATOM 2049 C CA . VAL A 1 350 ? 28.473 33.359 45.740 1.00 55.21 ? 432 VAL A CA 1 ATOM 2050 C C . VAL A 1 350 ? 29.768 32.897 45.086 1.00 56.10 ? 432 VAL A C 1 ATOM 2051 O O . VAL A 1 350 ? 30.090 33.302 43.970 1.00 61.04 ? 432 VAL A O 1 ATOM 2052 C CB . VAL A 1 350 ? 27.345 33.379 44.695 1.00 48.48 ? 432 VAL A CB 1 ATOM 2053 C CG1 . VAL A 1 350 ? 27.016 31.963 44.242 1.00 37.58 ? 432 VAL A CG1 1 ATOM 2054 C CG2 . VAL A 1 350 ? 26.111 34.063 45.261 1.00 34.66 ? 432 VAL A CG2 1 ATOM 2055 N N . TYR A 1 351 ? 30.509 32.049 45.794 1.00 55.06 ? 433 TYR A N 1 ATOM 2056 C CA . TYR A 1 351 ? 31.853 31.658 45.376 1.00 55.92 ? 433 TYR A CA 1 ATOM 2057 C C . TYR A 1 351 ? 31.880 30.894 44.054 1.00 54.77 ? 433 TYR A C 1 ATOM 2058 O O . TYR A 1 351 ? 30.861 30.371 43.605 1.00 52.80 ? 433 TYR A O 1 ATOM 2059 C CB . TYR A 1 351 ? 32.542 30.849 46.480 1.00 66.70 ? 433 TYR A CB 1 ATOM 2060 C CG . TYR A 1 351 ? 31.927 29.496 46.752 1.00 74.94 ? 433 TYR A CG 1 ATOM 2061 C CD1 . TYR A 1 351 ? 30.796 29.378 47.551 1.00 82.42 ? 433 TYR A CD1 1 ATOM 2062 C CD2 . TYR A 1 351 ? 32.483 28.337 46.226 1.00 73.31 ? 433 TYR A CD2 1 ATOM 2063 C CE1 . TYR A 1 351 ? 30.229 28.146 47.810 1.00 87.22 ? 433 TYR A CE1 1 ATOM 2064 C CE2 . TYR A 1 351 ? 31.923 27.099 46.480 1.00 79.36 ? 433 TYR A CE2 1 ATOM 2065 C CZ . TYR A 1 351 ? 30.796 27.009 47.272 1.00 86.56 ? 433 TYR A CZ 1 ATOM 2066 O OH . TYR A 1 351 ? 30.235 25.779 47.529 1.00 89.21 ? 433 TYR A OH 1 ATOM 2067 N N . GLY A 1 352 ? 33.058 30.839 43.441 1.00 62.44 ? 434 GLY A N 1 ATOM 2068 C CA . GLY A 1 352 ? 33.229 30.188 42.156 1.00 66.44 ? 434 GLY A CA 1 ATOM 2069 C C . GLY A 1 352 ? 33.995 31.075 41.193 1.00 68.66 ? 434 GLY A C 1 ATOM 2070 O O . GLY A 1 352 ? 34.368 32.194 41.544 1.00 70.05 ? 434 GLY A O 1 ATOM 2071 N N . PRO A 1 353 ? 34.235 30.581 39.969 1.00 62.89 ? 435 PRO A N 1 ATOM 2072 C CA . PRO A 1 353 ? 34.920 31.344 38.918 1.00 52.80 ? 435 PRO A CA 1 ATOM 2073 C C . PRO A 1 353 ? 34.025 32.434 38.331 1.00 47.15 ? 435 PRO A C 1 ATOM 2074 O O . PRO A 1 353 ? 34.507 33.309 37.614 1.00 46.13 ? 435 PRO A O 1 ATOM 2075 C CB . PRO A 1 353 ? 35.221 30.280 37.861 1.00 44.71 ? 435 PRO A CB 1 ATOM 2076 C CG . PRO A 1 353 ? 34.162 29.259 38.052 1.00 47.21 ? 435 PRO A CG 1 ATOM 2077 C CD . PRO A 1 353 ? 33.883 29.221 39.524 1.00 55.09 ? 435 PRO A CD 1 ATOM 2078 N N . ALA A 1 354 ? 32.733 32.363 38.628 1.00 48.57 ? 436 ALA A N 1 ATOM 2079 C CA . ALA A 1 354 ? 31.782 33.386 38.210 1.00 46.56 ? 436 ALA A CA 1 ATOM 2080 C C . ALA A 1 354 ? 31.110 33.978 39.442 1.00 51.80 ? 436 ALA A C 1 ATOM 2081 O O . ALA A 1 354 ? 29.925 33.751 39.686 1.00 63.69 ? 436 ALA A O 1 ATOM 2082 C CB . ALA A 1 354 ? 30.747 32.799 37.267 1.00 49.16 ? 436 ALA A CB 1 ATOM 2083 N N . ALA A 1 355 ? 31.874 34.742 40.215 1.00 53.91 ? 437 ALA A N 1 ATOM 2084 C CA . ALA A 1 355 ? 31.395 35.254 41.494 1.00 56.65 ? 437 ALA A CA 1 ATOM 2085 C C . ALA A 1 355 ? 30.442 36.437 41.355 1.00 52.83 ? 437 ALA A C 1 ATOM 2086 O O . ALA A 1 355 ? 30.581 37.269 40.457 1.00 45.07 ? 437 ALA A O 1 ATOM 2087 C CB . ALA A 1 355 ? 32.570 35.620 42.391 1.00 58.43 ? 437 ALA A CB 1 ATOM 2088 N N . ARG A 1 356 ? 29.472 36.493 42.260 1.00 56.99 ? 438 ARG A N 1 ATOM 2089 C CA . ARG A 1 356 ? 28.527 37.598 42.336 1.00 56.56 ? 438 ARG A CA 1 ATOM 2090 C C . ARG A 1 356 ? 28.438 38.079 43.780 1.00 57.19 ? 438 ARG A C 1 ATOM 2091 O O . ARG A 1 356 ? 28.695 37.314 44.710 1.00 53.61 ? 438 ARG A O 1 ATOM 2092 C CB . ARG A 1 356 ? 27.159 37.150 41.824 1.00 53.58 ? 438 ARG A CB 1 ATOM 2093 C CG . ARG A 1 356 ? 27.142 36.862 40.333 1.00 51.12 ? 438 ARG A CG 1 ATOM 2094 C CD . ARG A 1 356 ? 25.922 36.059 39.916 1.00 59.21 ? 438 ARG A CD 1 ATOM 2095 N NE . ARG A 1 356 ? 25.978 34.688 40.419 1.00 67.79 ? 438 ARG A NE 1 ATOM 2096 C CZ . ARG A 1 356 ? 24.946 34.035 40.944 1.00 75.39 ? 438 ARG A CZ 1 ATOM 2097 N NH1 . ARG A 1 356 ? 23.758 34.617 41.030 1.00 78.52 ? 438 ARG A NH1 1 ATOM 2098 N NH2 . ARG A 1 356 ? 25.103 32.789 41.370 1.00 75.26 ? 438 ARG A NH2 1 ATOM 2099 N N . LEU A 1 357 ? 28.073 39.344 43.967 1.00 61.47 ? 439 LEU A N 1 ATOM 2100 C CA . LEU A 1 357 ? 28.070 39.945 45.299 1.00 57.61 ? 439 LEU A CA 1 ATOM 2101 C C . LEU A 1 357 ? 26.767 40.665 45.639 1.00 51.70 ? 439 LEU A C 1 ATOM 2102 O O . LEU A 1 357 ? 26.275 41.481 44.860 1.00 46.80 ? 439 LEU A O 1 ATOM 2103 C CB . LEU A 1 357 ? 29.259 40.903 45.451 1.00 48.94 ? 439 LEU A CB 1 ATOM 2104 C CG . LEU A 1 357 ? 29.577 41.431 46.855 1.00 49.44 ? 439 LEU A CG 1 ATOM 2105 C CD1 . LEU A 1 357 ? 31.080 41.588 47.027 1.00 52.87 ? 439 LEU A CD1 1 ATOM 2106 C CD2 . LEU A 1 357 ? 28.872 42.753 47.133 1.00 57.53 ? 439 LEU A CD2 1 ATOM 2107 N N . ARG A 1 358 ? 26.219 40.360 46.811 1.00 51.52 ? 440 ARG A N 1 ATOM 2108 C CA . ARG A 1 358 ? 25.032 41.046 47.306 1.00 52.73 ? 440 ARG A CA 1 ATOM 2109 C C . ARG A 1 358 ? 25.233 41.412 48.775 1.00 61.62 ? 440 ARG A C 1 ATOM 2110 O O . ARG A 1 358 ? 25.958 40.724 49.494 1.00 68.78 ? 440 ARG A O 1 ATOM 2111 C CB . ARG A 1 358 ? 23.787 40.169 47.136 1.00 40.68 ? 440 ARG A CB 1 ATOM 2112 C CG . ARG A 1 358 ? 23.820 38.873 47.930 1.00 50.48 ? 440 ARG A CG 1 ATOM 2113 C CD . ARG A 1 358 ? 22.523 38.095 47.770 1.00 54.00 ? 440 ARG A CD 1 ATOM 2114 N NE . ARG A 1 358 ? 22.540 36.841 48.519 1.00 53.83 ? 440 ARG A NE 1 ATOM 2115 N N . PRO A 1 359 ? 24.594 42.504 49.225 1.00 66.67 ? 441 PRO A N 1 ATOM 2116 C CA . PRO A 1 359 ? 24.707 42.912 50.630 1.00 66.78 ? 441 PRO A CA 1 ATOM 2117 C C . PRO A 1 359 ? 24.002 41.949 51.579 1.00 68.43 ? 441 PRO A C 1 ATOM 2118 O O . PRO A 1 359 ? 23.092 41.229 51.166 1.00 64.72 ? 441 PRO A O 1 ATOM 2119 C CB . PRO A 1 359 ? 24.003 44.272 50.647 1.00 64.98 ? 441 PRO A CB 1 ATOM 2120 C CG . PRO A 1 359 ? 23.058 44.224 49.502 1.00 59.89 ? 441 PRO A CG 1 ATOM 2121 C CD . PRO A 1 359 ? 23.761 43.435 48.445 1.00 62.42 ? 441 PRO A CD 1 ATOM 2122 N N . THR A 1 360 ? 24.424 41.944 52.841 1.00 71.80 ? 442 THR A N 1 ATOM 2123 C CA . THR A 1 360 ? 23.819 41.080 53.847 1.00 71.26 ? 442 THR A CA 1 ATOM 2124 C C . THR A 1 360 ? 22.406 41.535 54.193 1.00 71.64 ? 442 THR A C 1 ATOM 2125 O O . THR A 1 360 ? 21.491 40.718 54.297 1.00 66.71 ? 442 THR A O 1 ATOM 2126 C CB . THR A 1 360 ? 24.672 41.010 55.126 1.00 72.99 ? 442 THR A CB 1 ATOM 2127 O OG1 . THR A 1 360 ? 25.999 40.587 54.794 1.00 62.29 ? 442 THR A OG1 1 ATOM 2128 C CG2 . THR A 1 360 ? 24.072 40.021 56.112 1.00 80.40 ? 442 THR A CG2 1 ATOM 2129 N N . ASP A 1 361 ? 22.228 42.843 54.360 1.00 76.55 ? 443 ASP A N 1 ATOM 2130 C CA . ASP A 1 361 ? 20.905 43.378 54.647 1.00 77.19 ? 443 ASP A CA 1 ATOM 2131 C C . ASP A 1 361 ? 20.089 43.374 53.365 1.00 70.79 ? 443 ASP A C 1 ATOM 2132 O O . ASP A 1 361 ? 20.096 44.338 52.599 1.00 64.21 ? 443 ASP A O 1 ATOM 2133 C CB . ASP A 1 361 ? 20.994 44.789 55.229 1.00 74.96 ? 443 ASP A CB 1 ATOM 2134 N N . VAL A 1 362 ? 19.385 42.270 53.145 1.00 71.09 ? 444 VAL A N 1 ATOM 2135 C CA . VAL A 1 362 ? 18.676 42.034 51.897 1.00 73.07 ? 444 VAL A CA 1 ATOM 2136 C C . VAL A 1 362 ? 17.240 41.596 52.199 1.00 70.23 ? 444 VAL A C 1 ATOM 2137 O O . VAL A 1 362 ? 17.015 40.797 53.110 1.00 73.71 ? 444 VAL A O 1 ATOM 2138 C CB . VAL A 1 362 ? 19.442 40.980 51.041 1.00 101.04 ? 444 VAL A CB 1 ATOM 2139 C CG1 . VAL A 1 362 ? 19.575 39.655 51.785 1.00 103.75 ? 444 VAL A CG1 1 ATOM 2140 C CG2 . VAL A 1 362 ? 18.796 40.782 49.685 1.00 101.96 ? 444 VAL A CG2 1 ATOM 2141 N N . PRO A 1 363 ? 16.255 42.129 51.456 1.00 61.46 ? 445 PRO A N 1 ATOM 2142 C CA . PRO A 1 363 ? 16.354 43.088 50.351 1.00 69.21 ? 445 PRO A CA 1 ATOM 2143 C C . PRO A 1 363 ? 16.264 44.540 50.807 1.00 77.05 ? 445 PRO A C 1 ATOM 2144 O O . PRO A 1 363 ? 15.870 45.399 50.017 1.00 80.59 ? 445 PRO A O 1 ATOM 2145 C CB . PRO A 1 363 ? 15.132 42.743 49.504 1.00 68.66 ? 445 PRO A CB 1 ATOM 2146 C CG . PRO A 1 363 ? 14.115 42.330 50.509 1.00 60.47 ? 445 PRO A CG 1 ATOM 2147 C CD . PRO A 1 363 ? 14.868 41.670 51.646 1.00 59.44 ? 445 PRO A CD 1 ATOM 2148 N N . GLU A 1 364 ? 16.617 44.808 52.060 1.00 82.75 ? 446 GLU A N 1 ATOM 2149 C CA . GLU A 1 364 ? 16.578 46.168 52.591 1.00 86.27 ? 446 GLU A CA 1 ATOM 2150 C C . GLU A 1 364 ? 17.552 47.091 51.863 1.00 76.85 ? 446 GLU A C 1 ATOM 2151 O O . GLU A 1 364 ? 17.222 48.233 51.545 1.00 77.51 ? 446 GLU A O 1 ATOM 2152 C CB . GLU A 1 364 ? 16.888 46.161 54.090 1.00 86.63 ? 446 GLU A CB 1 ATOM 2153 N N . THR A 1 365 ? 18.751 46.584 51.597 1.00 65.19 ? 447 THR A N 1 ATOM 2154 C CA . THR A 1 365 ? 19.794 47.370 50.948 1.00 71.73 ? 447 THR A CA 1 ATOM 2155 C C . THR A 1 365 ? 20.260 46.728 49.647 1.00 82.20 ? 447 THR A C 1 ATOM 2156 O O . THR A 1 365 ? 21.391 46.941 49.220 1.00 80.58 ? 447 THR A O 1 ATOM 2157 C CB . THR A 1 365 ? 21.007 47.578 51.874 1.00 75.34 ? 447 THR A CB 1 ATOM 2158 O OG1 . THR A 1 365 ? 21.520 46.307 52.289 1.00 76.29 ? 447 THR A OG1 1 ATOM 2159 C CG2 . THR A 1 365 ? 20.611 48.385 53.099 1.00 79.92 ? 447 THR A CG2 1 ATOM 2160 N N . TYR A 1 366 ? 19.389 45.945 49.020 1.00 87.04 ? 448 TYR A N 1 ATOM 2161 C CA . TYR A 1 366 ? 19.739 45.260 47.778 1.00 84.78 ? 448 TYR A CA 1 ATOM 2162 C C . TYR A 1 366 ? 19.987 46.266 46.661 1.00 78.24 ? 448 TYR A C 1 ATOM 2163 O O . TYR A 1 366 ? 20.837 46.054 45.796 1.00 81.20 ? 448 TYR A O 1 ATOM 2164 C CB . TYR A 1 366 ? 18.648 44.272 47.364 1.00 89.32 ? 448 TYR A CB 1 ATOM 2165 C CG . TYR A 1 366 ? 19.064 43.366 46.227 1.00 88.44 ? 448 TYR A CG 1 ATOM 2166 C CD1 . TYR A 1 366 ? 19.725 42.170 46.474 1.00 91.59 ? 448 TYR A CD1 1 ATOM 2167 C CD2 . TYR A 1 366 ? 18.811 43.714 44.906 1.00 85.69 ? 448 TYR A CD2 1 ATOM 2168 C CE1 . TYR A 1 366 ? 20.113 41.341 45.439 1.00 93.11 ? 448 TYR A CE1 1 ATOM 2169 C CE2 . TYR A 1 366 ? 19.198 42.894 43.864 1.00 88.86 ? 448 TYR A CE2 1 ATOM 2170 C CZ . TYR A 1 366 ? 19.847 41.708 44.136 1.00 94.99 ? 448 TYR A CZ 1 ATOM 2171 O OH . TYR A 1 366 ? 20.231 40.883 43.103 1.00 93.97 ? 448 TYR A OH 1 ATOM 2172 N N . TYR A 1 367 ? 19.237 47.359 46.688 1.00 68.53 ? 449 TYR A N 1 ATOM 2173 C CA . TYR A 1 367 ? 19.366 48.405 45.684 1.00 69.87 ? 449 TYR A CA 1 ATOM 2174 C C . TYR A 1 367 ? 20.003 49.639 46.312 1.00 77.93 ? 449 TYR A C 1 ATOM 2175 O O . TYR A 1 367 ? 20.663 50.426 45.633 1.00 83.50 ? 449 TYR A O 1 ATOM 2176 C CB . TYR A 1 367 ? 18.007 48.746 45.069 1.00 70.17 ? 449 TYR A CB 1 ATOM 2177 C CG . TYR A 1 367 ? 17.306 47.563 44.442 1.00 76.47 ? 449 TYR A CG 1 ATOM 2178 C CD1 . TYR A 1 367 ? 17.585 47.177 43.138 1.00 74.98 ? 449 TYR A CD1 1 ATOM 2179 C CD2 . TYR A 1 367 ? 16.367 46.830 45.156 1.00 86.24 ? 449 TYR A CD2 1 ATOM 2180 C CE1 . TYR A 1 367 ? 16.947 46.094 42.561 1.00 73.27 ? 449 TYR A CE1 1 ATOM 2181 C CE2 . TYR A 1 367 ? 15.724 45.746 44.589 1.00 88.29 ? 449 TYR A CE2 1 ATOM 2182 C CZ . TYR A 1 367 ? 16.017 45.382 43.291 1.00 77.69 ? 449 TYR A CZ 1 ATOM 2183 O OH . TYR A 1 367 ? 15.380 44.303 42.721 1.00 65.54 ? 449 TYR A OH 1 ATOM 2184 N N . SER A 1 368 ? 19.793 49.801 47.616 1.00 77.70 ? 450 SER A N 1 ATOM 2185 C CA . SER A 1 368 ? 20.334 50.941 48.346 1.00 77.32 ? 450 SER A CA 1 ATOM 2186 C C . SER A 1 368 ? 21.859 50.892 48.401 1.00 68.00 ? 450 SER A C 1 ATOM 2187 O O . SER A 1 368 ? 22.520 51.930 48.415 1.00 63.71 ? 450 SER A O 1 ATOM 2188 C CB . SER A 1 368 ? 19.757 50.996 49.762 1.00 88.47 ? 450 SER A CB 1 ATOM 2189 O OG . SER A 1 368 ? 18.342 51.074 49.732 1.00 96.06 ? 450 SER A OG 1 ATOM 2190 N N . PHE A 1 369 ? 22.412 49.682 48.444 1.00 69.77 ? 451 PHE A N 1 ATOM 2191 C CA . PHE A 1 369 ? 23.859 49.504 48.465 1.00 77.25 ? 451 PHE A CA 1 ATOM 2192 C C . PHE A 1 369 ? 24.435 49.988 47.146 1.00 88.06 ? 451 PHE A C 1 ATOM 2193 O O . PHE A 1 369 ? 24.003 49.552 46.079 1.00 101.30 ? 451 PHE A O 1 ATOM 2194 C CB . PHE A 1 369 ? 24.218 48.030 48.683 1.00 76.89 ? 451 PHE A CB 1 ATOM 2195 C CG . PHE A 1 369 ? 25.674 47.788 48.996 1.00 83.27 ? 451 PHE A CG 1 ATOM 2196 C CD1 . PHE A 1 369 ? 26.624 47.768 47.986 1.00 84.07 ? 451 PHE A CD1 1 ATOM 2197 C CD2 . PHE A 1 369 ? 26.088 47.556 50.298 1.00 88.89 ? 451 PHE A CD2 1 ATOM 2198 C CE1 . PHE A 1 369 ? 27.957 47.541 48.270 1.00 86.06 ? 451 PHE A CE1 1 ATOM 2199 C CE2 . PHE A 1 369 ? 27.422 47.326 50.588 1.00 89.08 ? 451 PHE A CE2 1 ATOM 2200 C CZ . PHE A 1 369 ? 28.357 47.318 49.571 1.00 86.36 ? 451 PHE A CZ 1 ATOM 2201 N N . ASN A 1 370 ? 25.408 50.887 47.211 1.00 86.75 ? 452 ASN A N 1 ATOM 2202 C CA . ASN A 1 370 ? 26.063 51.337 45.993 1.00 90.39 ? 452 ASN A CA 1 ATOM 2203 C C . ASN A 1 370 ? 27.229 50.408 45.662 1.00 83.16 ? 452 ASN A C 1 ATOM 2204 O O . ASN A 1 370 ? 28.263 50.411 46.330 1.00 76.07 ? 452 ASN A O 1 ATOM 2205 C CB . ASN A 1 370 ? 26.493 52.807 46.086 1.00 98.33 ? 452 ASN A CB 1 ATOM 2206 C CG . ASN A 1 370 ? 27.436 53.074 47.243 1.00 101.54 ? 452 ASN A CG 1 ATOM 2207 O OD1 . ASN A 1 370 ? 28.648 53.170 47.063 1.00 96.89 ? 452 ASN A OD1 1 ATOM 2208 N ND2 . ASN A 1 370 ? 26.878 53.198 48.443 1.00 107.49 ? 452 ASN A ND2 1 ATOM 2209 N N . TYR A 1 371 ? 27.040 49.603 44.622 1.00 78.84 ? 453 TYR A N 1 ATOM 2210 C CA . TYR A 1 371 ? 28.034 48.621 44.214 1.00 64.89 ? 453 TYR A CA 1 ATOM 2211 C C . TYR A 1 371 ? 29.188 49.278 43.467 1.00 64.85 ? 453 TYR A C 1 ATOM 2212 O O . TYR A 1 371 ? 30.302 48.753 43.443 1.00 67.68 ? 453 TYR A O 1 ATOM 2213 C CB . TYR A 1 371 ? 27.387 47.553 43.325 1.00 52.58 ? 453 TYR A CB 1 ATOM 2214 C CG . TYR A 1 371 ? 26.215 46.833 43.962 1.00 54.28 ? 453 TYR A CG 1 ATOM 2215 C CD1 . TYR A 1 371 ? 24.926 47.348 43.869 1.00 49.80 ? 453 TYR A CD1 1 ATOM 2216 C CD2 . TYR A 1 371 ? 26.394 45.639 44.653 1.00 62.23 ? 453 TYR A CD2 1 ATOM 2217 C CE1 . TYR A 1 371 ? 23.852 46.697 44.448 1.00 53.26 ? 453 TYR A CE1 1 ATOM 2218 C CE2 . TYR A 1 371 ? 25.323 44.980 45.236 1.00 59.42 ? 453 TYR A CE2 1 ATOM 2219 C CZ . TYR A 1 371 ? 24.055 45.516 45.129 1.00 58.76 ? 453 TYR A CZ 1 ATOM 2220 O OH . TYR A 1 371 ? 22.983 44.871 45.702 1.00 60.22 ? 453 TYR A OH 1 ATOM 2221 N N . GLU A 1 372 ? 28.904 50.421 42.850 1.00 61.41 ? 454 GLU A N 1 ATOM 2222 C CA . GLU A 1 372 ? 29.879 51.132 42.024 1.00 61.72 ? 454 GLU A CA 1 ATOM 2223 C C . GLU A 1 372 ? 31.154 51.480 42.789 1.00 65.36 ? 454 GLU A C 1 ATOM 2224 O O . GLU A 1 372 ? 32.259 51.371 42.254 1.00 65.45 ? 454 GLU A O 1 ATOM 2225 C CB . GLU A 1 372 ? 29.257 52.404 41.445 1.00 43.16 ? 454 GLU A CB 1 ATOM 2226 N N . ALA A 1 373 ? 30.994 51.902 44.038 1.00 66.95 ? 455 ALA A N 1 ATOM 2227 C CA . ALA A 1 373 ? 32.129 52.257 44.883 1.00 61.85 ? 455 ALA A CA 1 ATOM 2228 C C . ALA A 1 373 ? 32.956 51.024 45.217 1.00 60.96 ? 455 ALA A C 1 ATOM 2229 O O . ALA A 1 373 ? 34.186 51.059 45.182 1.00 65.62 ? 455 ALA A O 1 ATOM 2230 C CB . ALA A 1 373 ? 31.656 52.943 46.154 1.00 52.66 ? 455 ALA A CB 1 ATOM 2231 N N . LEU A 1 374 ? 32.269 49.937 45.546 1.00 56.01 ? 456 LEU A N 1 ATOM 2232 C CA . LEU A 1 374 ? 32.930 48.686 45.891 1.00 59.08 ? 456 LEU A CA 1 ATOM 2233 C C . LEU A 1 374 ? 33.673 48.118 44.686 1.00 68.93 ? 456 LEU A C 1 ATOM 2234 O O . LEU A 1 374 ? 34.770 47.574 44.824 1.00 67.00 ? 456 LEU A O 1 ATOM 2235 C CB . LEU A 1 374 ? 31.914 47.672 46.424 1.00 53.06 ? 456 LEU A CB 1 ATOM 2236 C CG . LEU A 1 374 ? 32.433 46.277 46.769 1.00 49.51 ? 456 LEU A CG 1 ATOM 2237 C CD1 . LEU A 1 374 ? 33.596 46.359 47.744 1.00 44.60 ? 456 LEU A CD1 1 ATOM 2238 C CD2 . LEU A 1 374 ? 31.314 45.423 47.340 1.00 50.34 ? 456 LEU A CD2 1 ATOM 2239 N N . ALA A 1 375 ? 33.069 48.244 43.509 1.00 72.71 ? 457 ALA A N 1 ATOM 2240 C CA . ALA A 1 375 ? 33.679 47.753 42.277 1.00 62.92 ? 457 ALA A CA 1 ATOM 2241 C C . ALA A 1 375 ? 34.955 48.522 41.943 1.00 64.00 ? 457 ALA A C 1 ATOM 2242 O O . ALA A 1 375 ? 35.956 47.932 41.534 1.00 62.09 ? 457 ALA A O 1 ATOM 2243 C CB . ALA A 1 375 ? 32.690 47.847 41.124 1.00 58.29 ? 457 ALA A CB 1 ATOM 2244 N N . LYS A 1 376 ? 34.910 49.840 42.118 1.00 64.71 ? 458 LYS A N 1 ATOM 2245 C CA . LYS A 1 376 ? 36.060 50.702 41.849 1.00 59.16 ? 458 LYS A CA 1 ATOM 2246 C C . LYS A 1 376 ? 37.167 50.508 42.882 1.00 66.81 ? 458 LYS A C 1 ATOM 2247 O O . LYS A 1 376 ? 38.345 50.725 42.594 1.00 64.03 ? 458 LYS A O 1 ATOM 2248 C CB . LYS A 1 376 ? 35.625 52.169 41.818 1.00 47.96 ? 458 LYS A CB 1 ATOM 2249 N N . ASN A 1 377 ? 36.776 50.099 44.085 1.00 74.33 ? 459 ASN A N 1 ATOM 2250 C CA . ASN A 1 377 ? 37.717 49.882 45.178 1.00 78.68 ? 459 ASN A CA 1 ATOM 2251 C C . ASN A 1 377 ? 38.415 48.533 45.058 1.00 67.26 ? 459 ASN A C 1 ATOM 2252 O O . ASN A 1 377 ? 39.389 48.260 45.758 1.00 70.91 ? 459 ASN A O 1 ATOM 2253 C CB . ASN A 1 377 ? 37.003 49.991 46.528 1.00 92.05 ? 459 ASN A CB 1 ATOM 2254 C CG . ASN A 1 377 ? 37.923 50.470 47.637 1.00 104.81 ? 459 ASN A CG 1 ATOM 2255 O OD1 . ASN A 1 377 ? 37.998 51.664 47.929 1.00 109.77 ? 459 ASN A OD1 1 ATOM 2256 N ND2 . ASN A 1 377 ? 38.632 49.536 48.260 1.00 107.37 ? 459 ASN A ND2 1 ATOM 2257 N N . LEU A 1 378 ? 37.906 47.695 44.161 1.00 57.90 ? 460 LEU A N 1 ATOM 2258 C CA . LEU A 1 378 ? 38.439 46.354 43.962 1.00 60.26 ? 460 LEU A CA 1 ATOM 2259 C C . LEU A 1 378 ? 39.186 46.210 42.639 1.00 66.22 ? 460 LEU A C 1 ATOM 2260 O O . LEU A 1 378 ? 39.813 45.181 42.384 1.00 65.06 ? 460 LEU A O 1 ATOM 2261 C CB . LEU A 1 378 ? 37.310 45.322 44.034 1.00 53.24 ? 460 LEU A CB 1 ATOM 2262 C CG . LEU A 1 378 ? 36.756 44.994 45.420 1.00 53.67 ? 460 LEU A CG 1 ATOM 2263 C CD1 . LEU A 1 378 ? 35.486 44.165 45.304 1.00 61.30 ? 460 LEU A CD1 1 ATOM 2264 C CD2 . LEU A 1 378 ? 37.796 44.270 46.259 1.00 49.65 ? 460 LEU A CD2 1 ATOM 2265 N N . SER A 1 379 ? 39.122 47.236 41.797 1.00 65.09 ? 461 SER A N 1 ATOM 2266 C CA . SER A 1 379 ? 39.743 47.160 40.480 1.00 60.58 ? 461 SER A CA 1 ATOM 2267 C C . SER A 1 379 ? 41.202 47.608 40.500 1.00 60.51 ? 461 SER A C 1 ATOM 2268 O O . SER A 1 379 ? 41.546 48.597 41.148 1.00 61.58 ? 461 SER A O 1 ATOM 2269 C CB . SER A 1 379 ? 38.949 47.989 39.465 1.00 61.00 ? 461 SER A CB 1 ATOM 2270 O OG . SER A 1 379 ? 37.560 47.731 39.566 1.00 61.43 ? 461 SER A OG 1 ATOM 2271 N N . CYS A 1 380 ? 42.048 46.868 39.783 1.00 64.47 ? 462 CYS A N 1 ATOM 2272 C CA . CYS A 1 380 ? 43.465 47.201 39.626 1.00 66.92 ? 462 CYS A CA 1 ATOM 2273 C C . CYS A 1 380 ? 44.203 47.298 40.960 1.00 65.36 ? 462 CYS A C 1 ATOM 2274 O O . CYS A 1 380 ? 44.850 48.303 41.250 1.00 72.23 ? 462 CYS A O 1 ATOM 2275 C CB . CYS A 1 380 ? 43.628 48.497 38.828 1.00 70.43 ? 462 CYS A CB 1 ATOM 2276 S SG . CYS A 1 380 ? 42.772 48.473 37.227 1.00 104.07 ? 462 CYS A SG 1 ATOM 2277 N N . ARG A 1 381 ? 44.098 46.245 41.765 1.00 61.92 ? 463 ARG A N 1 ATOM 2278 C CA . ARG A 1 381 ? 44.755 46.203 43.065 1.00 63.73 ? 463 ARG A CA 1 ATOM 2279 C C . ARG A 1 381 ? 46.045 45.400 42.969 1.00 71.33 ? 463 ARG A C 1 ATOM 2280 O O . ARG A 1 381 ? 46.938 45.533 43.806 1.00 74.98 ? 463 ARG A O 1 ATOM 2281 C CB . ARG A 1 381 ? 43.829 45.589 44.117 1.00 61.55 ? 463 ARG A CB 1 ATOM 2282 C CG . ARG A 1 381 ? 42.475 46.263 44.247 1.00 57.89 ? 463 ARG A CG 1 ATOM 2283 C CD . ARG A 1 381 ? 42.615 47.643 44.864 1.00 57.43 ? 463 ARG A CD 1 ATOM 2284 N NE . ARG A 1 381 ? 42.059 47.681 46.215 1.00 65.54 ? 463 ARG A NE 1 ATOM 2285 C CZ . ARG A 1 381 ? 42.751 47.407 47.316 1.00 66.24 ? 463 ARG A CZ 1 ATOM 2286 N NH1 . ARG A 1 381 ? 44.031 47.073 47.232 1.00 64.79 ? 463 ARG A NH1 1 ATOM 2287 N NH2 . ARG A 1 381 ? 42.162 47.465 48.503 1.00 64.97 ? 463 ARG A NH2 1 ATOM 2288 N N . GLU A 1 382 ? 46.131 44.561 41.942 1.00 76.59 ? 464 GLU A N 1 ATOM 2289 C CA . GLU A 1 382 ? 47.293 43.708 41.733 1.00 82.99 ? 464 GLU A CA 1 ATOM 2290 C C . GLU A 1 382 ? 47.944 44.060 40.397 1.00 86.36 ? 464 GLU A C 1 ATOM 2291 O O . GLU A 1 382 ? 47.267 44.555 39.496 1.00 92.25 ? 464 GLU A O 1 ATOM 2292 C CB . GLU A 1 382 ? 46.884 42.233 41.764 1.00 84.71 ? 464 GLU A CB 1 ATOM 2293 C CG . GLU A 1 382 ? 46.228 41.810 43.073 1.00 85.80 ? 464 GLU A CG 1 ATOM 2294 C CD . GLU A 1 382 ? 47.201 41.748 44.240 1.00 87.35 ? 464 GLU A CD 1 ATOM 2295 O OE1 . GLU A 1 382 ? 48.428 41.794 44.009 1.00 88.15 ? 464 GLU A OE1 1 ATOM 2296 O OE2 . GLU A 1 382 ? 46.734 41.664 45.396 1.00 86.80 ? 464 GLU A OE2 1 ATOM 2297 N N . PRO A 1 383 ? 49.259 43.814 40.264 1.00 85.92 ? 465 PRO A N 1 ATOM 2298 C CA . PRO A 1 383 ? 49.957 44.096 39.002 1.00 90.47 ? 465 PRO A CA 1 ATOM 2299 C C . PRO A 1 383 ? 49.391 43.293 37.831 1.00 89.85 ? 465 PRO A C 1 ATOM 2300 O O . PRO A 1 383 ? 49.167 43.849 36.755 1.00 85.06 ? 465 PRO A O 1 ATOM 2301 C CB . PRO A 1 383 ? 51.400 43.662 39.297 1.00 89.07 ? 465 PRO A CB 1 ATOM 2302 C CG . PRO A 1 383 ? 51.304 42.749 40.476 1.00 89.12 ? 465 PRO A CG 1 ATOM 2303 C CD . PRO A 1 383 ? 50.171 43.279 41.289 1.00 86.37 ? 465 PRO A CD 1 ATOM 2304 N N . ASN A 1 384 ? 49.162 42.003 38.047 1.00 80.74 ? 466 ASN A N 1 ATOM 2305 C CA . ASN A 1 384 ? 48.521 41.156 37.049 1.00 62.93 ? 466 ASN A CA 1 ATOM 2306 C C . ASN A 1 384 ? 47.331 40.436 37.660 1.00 57.81 ? 466 ASN A C 1 ATOM 2307 O O . ASN A 1 384 ? 47.340 39.217 37.824 1.00 61.95 ? 466 ASN A O 1 ATOM 2308 C CB . ASN A 1 384 ? 49.516 40.152 36.467 1.00 61.25 ? 466 ASN A CB 1 ATOM 2309 C CG . ASN A 1 384 ? 50.262 40.705 35.265 1.00 73.39 ? 466 ASN A CG 1 ATOM 2310 O OD1 . ASN A 1 384 ? 51.492 40.684 35.219 1.00 76.43 ? 466 ASN A OD1 1 ATOM 2311 N ND2 . ASN A 1 384 ? 49.516 41.209 34.287 1.00 76.16 ? 466 ASN A ND2 1 ATOM 2312 N N . GLN A 1 385 ? 46.310 41.217 37.996 1.00 53.12 ? 467 GLN A N 1 ATOM 2313 C CA . GLN A 1 385 ? 45.132 40.727 38.697 1.00 51.11 ? 467 GLN A CA 1 ATOM 2314 C C . GLN A 1 385 ? 44.392 39.685 37.866 1.00 52.49 ? 467 GLN A C 1 ATOM 2315 O O . GLN A 1 385 ? 44.169 39.871 36.669 1.00 52.19 ? 467 GLN A O 1 ATOM 2316 C CB . GLN A 1 385 ? 44.212 41.900 39.039 1.00 44.31 ? 467 GLN A CB 1 ATOM 2317 C CG . GLN A 1 385 ? 43.196 41.618 40.129 1.00 50.08 ? 467 GLN A CG 1 ATOM 2318 C CD . GLN A 1 385 ? 42.494 42.881 40.594 1.00 57.97 ? 467 GLN A CD 1 ATOM 2319 O OE1 . GLN A 1 385 ? 43.138 43.888 40.888 1.00 61.40 ? 467 GLN A OE1 1 ATOM 2320 N NE2 . GLN A 1 385 ? 41.168 42.839 40.647 1.00 56.55 ? 467 GLN A NE2 1 ATOM 2321 N N . HIS A 1 386 ? 44.009 38.589 38.513 1.00 44.20 ? 468 HIS A N 1 ATOM 2322 C CA . HIS A 1 386 ? 43.367 37.474 37.825 1.00 48.91 ? 468 HIS A CA 1 ATOM 2323 C C . HIS A 1 386 ? 41.853 37.495 37.978 1.00 52.22 ? 468 HIS A C 1 ATOM 2324 O O . HIS A 1 386 ? 41.165 36.551 37.588 1.00 56.83 ? 468 HIS A O 1 ATOM 2325 C CB . HIS A 1 386 ? 43.941 36.139 38.305 1.00 44.05 ? 468 HIS A CB 1 ATOM 2326 C CG . HIS A 1 386 ? 45.393 35.960 37.987 1.00 50.77 ? 468 HIS A CG 1 ATOM 2327 N ND1 . HIS A 1 386 ? 46.399 36.417 38.811 1.00 62.70 ? 468 HIS A ND1 1 ATOM 2328 C CD2 . HIS A 1 386 ? 46.009 35.378 36.930 1.00 49.48 ? 468 HIS A CD2 1 ATOM 2329 C CE1 . HIS A 1 386 ? 47.571 36.124 38.276 1.00 63.96 ? 468 HIS A CE1 1 ATOM 2330 N NE2 . HIS A 1 386 ? 47.362 35.493 37.135 1.00 56.52 ? 468 HIS A NE2 1 ATOM 2331 N N . PHE A 1 387 ? 41.337 38.574 38.554 1.00 42.79 ? 469 PHE A N 1 ATOM 2332 C CA . PHE A 1 387 ? 39.898 38.768 38.635 1.00 45.53 ? 469 PHE A CA 1 ATOM 2333 C C . PHE A 1 387 ? 39.585 40.216 38.294 1.00 45.34 ? 469 PHE A C 1 ATOM 2334 O O . PHE A 1 387 ? 40.473 41.069 38.314 1.00 51.42 ? 469 PHE A O 1 ATOM 2335 C CB . PHE A 1 387 ? 39.348 38.382 40.015 1.00 49.21 ? 469 PHE A CB 1 ATOM 2336 C CG . PHE A 1 387 ? 39.650 39.380 41.105 1.00 50.58 ? 469 PHE A CG 1 ATOM 2337 C CD1 . PHE A 1 387 ? 40.885 39.390 41.733 1.00 53.13 ? 469 PHE A CD1 1 ATOM 2338 C CD2 . PHE A 1 387 ? 38.692 40.297 41.509 1.00 46.71 ? 469 PHE A CD2 1 ATOM 2339 C CE1 . PHE A 1 387 ? 41.160 40.300 42.739 1.00 45.58 ? 469 PHE A CE1 1 ATOM 2340 C CE2 . PHE A 1 387 ? 38.962 41.209 42.513 1.00 42.65 ? 469 PHE A CE2 1 ATOM 2341 C CZ . PHE A 1 387 ? 40.197 41.210 43.129 1.00 38.54 ? 469 PHE A CZ 1 ATOM 2342 N N . ARG A 1 388 ? 38.326 40.497 37.983 1.00 32.80 ? 470 ARG A N 1 ATOM 2343 C CA . ARG A 1 388 ? 37.943 41.844 37.589 1.00 38.03 ? 470 ARG A CA 1 ATOM 2344 C C . ARG A 1 388 ? 36.508 42.157 37.994 1.00 41.71 ? 470 ARG A C 1 ATOM 2345 O O . ARG A 1 388 ? 35.586 41.418 37.651 1.00 48.68 ? 470 ARG A O 1 ATOM 2346 C CB . ARG A 1 388 ? 38.131 42.035 36.081 1.00 43.14 ? 470 ARG A CB 1 ATOM 2347 C CG . ARG A 1 388 ? 38.047 43.481 35.615 1.00 43.64 ? 470 ARG A CG 1 ATOM 2348 C CD . ARG A 1 388 ? 38.407 43.609 34.140 1.00 45.61 ? 470 ARG A CD 1 ATOM 2349 N NE . ARG A 1 388 ? 39.720 43.051 33.834 1.00 51.11 ? 470 ARG A NE 1 ATOM 2350 C CZ . ARG A 1 388 ? 40.262 43.043 32.620 1.00 60.15 ? 470 ARG A CZ 1 ATOM 2351 N NH1 . ARG A 1 388 ? 39.603 43.564 31.594 1.00 52.10 ? 470 ARG A NH1 1 ATOM 2352 N NH2 . ARG A 1 388 ? 41.463 42.512 32.430 1.00 70.05 ? 470 ARG A NH2 1 ATOM 2353 N N . PRO A 1 389 ? 36.318 43.261 38.729 1.00 32.55 ? 471 PRO A N 1 ATOM 2354 C CA . PRO A 1 389 ? 34.992 43.719 39.148 1.00 47.32 ? 471 PRO A CA 1 ATOM 2355 C C . PRO A 1 389 ? 34.192 44.227 37.958 1.00 48.85 ? 471 PRO A C 1 ATOM 2356 O O . PRO A 1 389 ? 34.670 45.080 37.210 1.00 53.55 ? 471 PRO A O 1 ATOM 2357 C CB . PRO A 1 389 ? 35.305 44.882 40.098 1.00 43.07 ? 471 PRO A CB 1 ATOM 2358 C CG . PRO A 1 389 ? 36.739 44.702 40.481 1.00 40.82 ? 471 PRO A CG 1 ATOM 2359 C CD . PRO A 1 389 ? 37.390 44.100 39.285 1.00 44.10 ? 471 PRO A CD 1 ATOM 2360 N N . TYR A 1 390 ? 32.986 43.699 37.787 1.00 37.49 ? 472 TYR A N 1 ATOM 2361 C CA . TYR A 1 390 ? 32.119 44.125 36.700 1.00 38.96 ? 472 TYR A CA 1 ATOM 2362 C C . TYR A 1 390 ? 30.729 44.461 37.219 1.00 43.25 ? 472 TYR A C 1 ATOM 2363 O O . TYR A 1 390 ? 30.061 43.630 37.837 1.00 31.94 ? 472 TYR A O 1 ATOM 2364 C CB . TYR A 1 390 ? 32.009 43.036 35.630 1.00 46.40 ? 472 TYR A CB 1 ATOM 2365 C CG . TYR A 1 390 ? 33.103 43.077 34.587 1.00 47.04 ? 472 TYR A CG 1 ATOM 2366 C CD1 . TYR A 1 390 ? 34.231 42.276 34.704 1.00 28.05 ? 472 TYR A CD1 1 ATOM 2367 C CD2 . TYR A 1 390 ? 33.009 43.918 33.485 1.00 43.23 ? 472 TYR A CD2 1 ATOM 2368 C CE1 . TYR A 1 390 ? 35.233 42.309 33.755 1.00 34.15 ? 472 TYR A CE1 1 ATOM 2369 C CE2 . TYR A 1 390 ? 34.008 43.959 32.530 1.00 27.45 ? 472 TYR A CE2 1 ATOM 2370 C CZ . TYR A 1 390 ? 35.118 43.153 32.670 1.00 35.92 ? 472 TYR A CZ 1 ATOM 2371 O OH . TYR A 1 390 ? 36.116 43.189 31.723 1.00 32.39 ? 472 TYR A OH 1 ATOM 2372 N N . LEU A 1 391 ? 30.300 45.690 36.955 1.00 44.02 ? 473 LEU A N 1 ATOM 2373 C CA . LEU A 1 391 ? 28.904 46.062 37.109 1.00 50.97 ? 473 LEU A CA 1 ATOM 2374 C C . LEU A 1 391 ? 28.130 45.264 36.078 1.00 57.61 ? 473 LEU A C 1 ATOM 2375 O O . LEU A 1 391 ? 28.640 44.978 34.994 1.00 62.62 ? 473 LEU A O 1 ATOM 2376 C CB . LEU A 1 391 ? 28.697 47.559 36.881 1.00 56.21 ? 473 LEU A CB 1 ATOM 2377 C CG . LEU A 1 391 ? 29.047 48.505 38.034 1.00 53.83 ? 473 LEU A CG 1 ATOM 2378 C CD1 . LEU A 1 391 ? 28.393 48.034 39.322 1.00 45.82 ? 473 LEU A CD1 1 ATOM 2379 C CD2 . LEU A 1 391 ? 30.554 48.654 38.208 1.00 60.18 ? 473 LEU A CD2 1 ATOM 2380 N N . LYS A 1 392 ? 26.903 44.898 36.423 1.00 58.57 ? 474 LYS A N 1 ATOM 2381 C CA . LYS A 1 392 ? 26.123 43.975 35.607 1.00 59.45 ? 474 LYS A CA 1 ATOM 2382 C C . LYS A 1 392 ? 25.916 44.378 34.135 1.00 60.86 ? 474 LYS A C 1 ATOM 2383 O O . LYS A 1 392 ? 25.927 43.516 33.256 1.00 53.38 ? 474 LYS A O 1 ATOM 2384 C CB . LYS A 1 392 ? 24.793 43.658 36.302 1.00 53.15 ? 474 LYS A CB 1 ATOM 2385 C CG . LYS A 1 392 ? 24.006 42.503 35.744 1.00 46.57 ? 474 LYS A CG 1 ATOM 2386 C CD . LYS A 1 392 ? 22.822 42.199 36.646 1.00 47.63 ? 474 LYS A CD 1 ATOM 2387 C CE . LYS A 1 392 ? 21.883 43.390 36.747 1.00 48.36 ? 474 LYS A CE 1 ATOM 2388 N NZ . LYS A 1 392 ? 20.539 43.000 37.258 1.00 56.98 ? 474 LYS A NZ 1 ATOM 2389 N N . PRO A 1 393 ? 25.728 45.682 33.854 1.00 59.19 ? 475 PRO A N 1 ATOM 2390 C CA . PRO A 1 393 ? 25.632 46.071 32.441 1.00 57.36 ? 475 PRO A CA 1 ATOM 2391 C C . PRO A 1 393 ? 26.994 46.170 31.747 1.00 56.95 ? 475 PRO A C 1 ATOM 2392 O O . PRO A 1 393 ? 27.046 46.207 30.517 1.00 59.63 ? 475 PRO A O 1 ATOM 2393 C CB . PRO A 1 393 ? 24.977 47.458 32.498 1.00 55.19 ? 475 PRO A CB 1 ATOM 2394 C CG . PRO A 1 393 ? 24.377 47.556 33.855 1.00 48.93 ? 475 PRO A CG 1 ATOM 2395 C CD . PRO A 1 393 ? 25.292 46.780 34.734 1.00 53.15 ? 475 PRO A CD 1 ATOM 2396 N N . PHE A 1 394 ? 28.075 46.211 32.523 1.00 53.60 ? 476 PHE A N 1 ATOM 2397 C CA . PHE A 1 394 ? 29.414 46.374 31.956 1.00 52.10 ? 476 PHE A CA 1 ATOM 2398 C C . PHE A 1 394 ? 30.093 45.074 31.535 1.00 48.62 ? 476 PHE A C 1 ATOM 2399 O O . PHE A 1 394 ? 31.200 45.096 30.996 1.00 47.04 ? 476 PHE A O 1 ATOM 2400 C CB . PHE A 1 394 ? 30.317 47.130 32.936 1.00 58.40 ? 476 PHE A CB 1 ATOM 2401 C CG . PHE A 1 394 ? 29.903 48.555 33.171 1.00 64.08 ? 476 PHE A CG 1 ATOM 2402 C CD1 . PHE A 1 394 ? 29.124 49.230 32.246 1.00 70.74 ? 476 PHE A CD1 1 ATOM 2403 C CD2 . PHE A 1 394 ? 30.296 49.220 34.321 1.00 65.48 ? 476 PHE A CD2 1 ATOM 2404 C CE1 . PHE A 1 394 ? 28.740 50.540 32.468 1.00 80.29 ? 476 PHE A CE1 1 ATOM 2405 C CE2 . PHE A 1 394 ? 29.916 50.528 34.549 1.00 72.17 ? 476 PHE A CE2 1 ATOM 2406 C CZ . PHE A 1 394 ? 29.137 51.189 33.622 1.00 80.41 ? 476 PHE A CZ 1 ATOM 2407 N N . LEU A 1 395 ? 29.439 43.948 31.785 1.00 51.76 ? 477 LEU A N 1 ATOM 2408 C CA . LEU A 1 395 ? 29.942 42.666 31.310 1.00 45.69 ? 477 LEU A CA 1 ATOM 2409 C C . LEU A 1 395 ? 29.883 42.615 29.784 1.00 46.43 ? 477 LEU A C 1 ATOM 2410 O O . LEU A 1 395 ? 29.039 43.270 29.174 1.00 51.11 ? 477 LEU A O 1 ATOM 2411 C CB . LEU A 1 395 ? 29.120 41.516 31.895 1.00 34.08 ? 477 LEU A CB 1 ATOM 2412 C CG . LEU A 1 395 ? 29.540 41.008 33.276 1.00 37.56 ? 477 LEU A CG 1 ATOM 2413 C CD1 . LEU A 1 395 ? 28.585 39.933 33.759 1.00 41.60 ? 477 LEU A CD1 1 ATOM 2414 C CD2 . LEU A 1 395 ? 30.966 40.481 33.247 1.00 25.59 ? 477 LEU A CD2 1 ATOM 2415 N N . PRO A 1 396 ? 30.795 41.848 29.163 1.00 35.85 ? 478 PRO A N 1 ATOM 2416 C CA . PRO A 1 396 ? 30.790 41.615 27.715 1.00 33.79 ? 478 PRO A CA 1 ATOM 2417 C C . PRO A 1 396 ? 29.432 41.093 27.249 1.00 32.50 ? 478 PRO A C 1 ATOM 2418 O O . PRO A 1 396 ? 28.886 40.175 27.859 1.00 30.86 ? 478 PRO A O 1 ATOM 2419 C CB . PRO A 1 396 ? 31.863 40.543 27.535 1.00 37.75 ? 478 PRO A CB 1 ATOM 2420 C CG . PRO A 1 396 ? 32.814 40.795 28.646 1.00 34.03 ? 478 PRO A CG 1 ATOM 2421 C CD . PRO A 1 396 ? 31.969 41.235 29.810 1.00 23.40 ? 478 PRO A CD 1 ATOM 2422 N N . LYS A 1 397 ? 28.898 41.684 26.184 1.00 34.73 ? 479 LYS A N 1 ATOM 2423 C CA . LYS A 1 397 ? 27.551 41.376 25.709 1.00 33.80 ? 479 LYS A CA 1 ATOM 2424 C C . LYS A 1 397 ? 27.384 39.931 25.244 1.00 28.35 ? 479 LYS A C 1 ATOM 2425 O O . LYS A 1 397 ? 26.273 39.402 25.253 1.00 22.07 ? 479 LYS A O 1 ATOM 2426 C CB . LYS A 1 397 ? 27.154 42.331 24.579 1.00 36.38 ? 479 LYS A CB 1 ATOM 2427 C CG . LYS A 1 397 ? 26.826 43.745 25.034 1.00 22.12 ? 479 LYS A CG 1 ATOM 2428 C CD . LYS A 1 397 ? 25.598 43.750 25.929 1.00 29.12 ? 479 LYS A CD 1 ATOM 2429 C CE . LYS A 1 397 ? 25.201 45.160 26.328 1.00 28.36 ? 479 LYS A CE 1 ATOM 2430 N NZ . LYS A 1 397 ? 23.971 45.172 27.166 1.00 39.37 ? 479 LYS A NZ 1 ATOM 2431 N N . ARG A 1 398 ? 28.480 39.301 24.835 1.00 27.75 ? 480 ARG A N 1 ATOM 2432 C CA . ARG A 1 398 ? 28.434 37.928 24.337 1.00 22.88 ? 480 ARG A CA 1 ATOM 2433 C C . ARG A 1 398 ? 27.933 36.953 25.401 1.00 28.60 ? 480 ARG A C 1 ATOM 2434 O O . ARG A 1 398 ? 27.378 35.902 25.081 1.00 31.16 ? 480 ARG A O 1 ATOM 2435 C CB . ARG A 1 398 ? 29.808 37.491 23.829 1.00 19.12 ? 480 ARG A CB 1 ATOM 2436 C CG . ARG A 1 398 ? 30.907 37.594 24.875 1.00 30.42 ? 480 ARG A CG 1 ATOM 2437 C CD . ARG A 1 398 ? 32.200 36.969 24.387 1.00 28.19 ? 480 ARG A CD 1 ATOM 2438 N NE . ARG A 1 398 ? 33.292 37.146 25.338 1.00 30.95 ? 480 ARG A NE 1 ATOM 2439 C CZ . ARG A 1 398 ? 33.589 36.282 26.303 1.00 33.75 ? 480 ARG A CZ 1 ATOM 2440 N NH1 . ARG A 1 398 ? 32.869 35.178 26.453 1.00 32.24 ? 480 ARG A NH1 1 ATOM 2441 N NH2 . ARG A 1 398 ? 34.602 36.525 27.123 1.00 30.56 ? 480 ARG A NH2 1 ATOM 2442 N N . LEU A 1 399 ? 28.132 37.308 26.667 1.00 30.72 ? 481 LEU A N 1 ATOM 2443 C CA . LEU A 1 399 ? 27.707 36.465 27.778 1.00 36.73 ? 481 LEU A CA 1 ATOM 2444 C C . LEU A 1 399 ? 26.200 36.525 27.987 1.00 43.16 ? 481 LEU A C 1 ATOM 2445 O O . LEU A 1 399 ? 25.595 35.561 28.458 1.00 50.07 ? 481 LEU A O 1 ATOM 2446 C CB . LEU A 1 399 ? 28.433 36.865 29.064 1.00 42.24 ? 481 LEU A CB 1 ATOM 2447 C CG . LEU A 1 399 ? 29.954 36.711 29.071 1.00 47.60 ? 481 LEU A CG 1 ATOM 2448 C CD1 . LEU A 1 399 ? 30.536 37.197 30.390 1.00 52.69 ? 481 LEU A CD1 1 ATOM 2449 C CD2 . LEU A 1 399 ? 30.347 35.265 28.806 1.00 44.60 ? 481 LEU A CD2 1 ATOM 2450 N N . HIS A 1 400 ? 25.604 37.662 27.630 1.00 39.00 ? 482 HIS A N 1 ATOM 2451 C CA . HIS A 1 400 ? 24.168 37.875 27.800 1.00 33.70 ? 482 HIS A CA 1 ATOM 2452 C C . HIS A 1 400 ? 23.730 37.629 29.243 1.00 43.25 ? 482 HIS A C 1 ATOM 2453 O O . HIS A 1 400 ? 22.865 36.795 29.506 1.00 40.70 ? 482 HIS A O 1 ATOM 2454 C CB . HIS A 1 400 ? 23.349 37.019 26.828 1.00 26.49 ? 482 HIS A CB 1 ATOM 2455 C CG . HIS A 1 400 ? 23.569 37.364 25.388 1.00 29.23 ? 482 HIS A CG 1 ATOM 2456 N ND1 . HIS A 1 400 ? 22.937 38.423 24.772 1.00 36.54 ? 482 HIS A ND1 1 ATOM 2457 C CD2 . HIS A 1 400 ? 24.343 36.785 24.440 1.00 22.87 ? 482 HIS A CD2 1 ATOM 2458 C CE1 . HIS A 1 400 ? 23.316 38.485 23.508 1.00 37.87 ? 482 HIS A CE1 1 ATOM 2459 N NE2 . HIS A 1 400 ? 24.169 37.502 23.281 1.00 31.47 ? 482 HIS A NE2 1 ATOM 2460 N N . PHE A 1 401 ? 24.350 38.346 30.175 1.00 49.25 ? 483 PHE A N 1 ATOM 2461 C CA . PHE A 1 401 ? 24.237 38.022 31.591 1.00 41.26 ? 483 PHE A CA 1 ATOM 2462 C C . PHE A 1 401 ? 24.009 39.281 32.424 1.00 37.69 ? 483 PHE A C 1 ATOM 2463 O O . PHE A 1 401 ? 24.796 39.605 33.315 1.00 35.03 ? 483 PHE A O 1 ATOM 2464 C CB . PHE A 1 401 ? 25.487 37.263 32.057 1.00 35.72 ? 483 PHE A CB 1 ATOM 2465 C CG . PHE A 1 401 ? 25.363 36.651 33.423 1.00 35.83 ? 483 PHE A CG 1 ATOM 2466 C CD1 . PHE A 1 401 ? 24.542 35.557 33.633 1.00 29.50 ? 483 PHE A CD1 1 ATOM 2467 C CD2 . PHE A 1 401 ? 26.092 37.151 34.492 1.00 39.26 ? 483 PHE A CD2 1 ATOM 2468 C CE1 . PHE A 1 401 ? 24.428 34.988 34.887 1.00 30.39 ? 483 PHE A CE1 1 ATOM 2469 C CE2 . PHE A 1 401 ? 25.984 36.584 35.750 1.00 36.13 ? 483 PHE A CE2 1 ATOM 2470 C CZ . PHE A 1 401 ? 25.151 35.500 35.947 1.00 32.99 ? 483 PHE A CZ 1 ATOM 2471 N N . ALA A 1 402 ? 22.943 40.007 32.108 1.00 33.08 ? 484 ALA A N 1 ATOM 2472 C CA . ALA A 1 402 ? 22.648 41.262 32.784 1.00 31.48 ? 484 ALA A CA 1 ATOM 2473 C C . ALA A 1 402 ? 21.168 41.406 33.120 1.00 35.00 ? 484 ALA A C 1 ATOM 2474 O O . ALA A 1 402 ? 20.805 41.768 34.239 1.00 49.52 ? 484 ALA A O 1 ATOM 2475 C CB . ALA A 1 402 ? 23.125 42.443 31.951 1.00 45.29 ? 484 ALA A CB 1 ATOM 2476 N N . LYS A 1 403 ? 20.318 41.118 32.140 1.00 37.78 ? 485 LYS A N 1 ATOM 2477 C CA . LYS A 1 403 ? 18.893 41.414 32.249 1.00 34.48 ? 485 LYS A CA 1 ATOM 2478 C C . LYS A 1 403 ? 18.136 40.333 33.008 1.00 43.72 ? 485 LYS A C 1 ATOM 2479 O O . LYS A 1 403 ? 17.279 39.649 32.445 1.00 52.95 ? 485 LYS A O 1 ATOM 2480 C CB . LYS A 1 403 ? 18.277 41.595 30.860 1.00 28.54 ? 485 LYS A CB 1 ATOM 2481 N N . SER A 1 404 ? 18.454 40.184 34.289 1.00 48.85 ? 486 SER A N 1 ATOM 2482 C CA . SER A 1 404 ? 17.684 39.320 35.176 1.00 54.91 ? 486 SER A CA 1 ATOM 2483 C C . SER A 1 404 ? 17.636 39.932 36.570 1.00 62.15 ? 486 SER A C 1 ATOM 2484 O O . SER A 1 404 ? 18.585 40.587 37.003 1.00 60.13 ? 486 SER A O 1 ATOM 2485 C CB . SER A 1 404 ? 18.302 37.924 35.244 1.00 54.97 ? 486 SER A CB 1 ATOM 2486 O OG . SER A 1 404 ? 17.430 37.021 35.903 1.00 50.68 ? 486 SER A OG 1 ATOM 2487 N N . ASP A 1 405 ? 16.533 39.710 37.276 1.00 66.36 ? 487 ASP A N 1 ATOM 2488 C CA . ASP A 1 405 ? 16.399 40.201 38.641 1.00 61.61 ? 487 ASP A CA 1 ATOM 2489 C C . ASP A 1 405 ? 17.322 39.458 39.607 1.00 47.33 ? 487 ASP A C 1 ATOM 2490 O O . ASP A 1 405 ? 17.839 40.042 40.560 1.00 41.51 ? 487 ASP A O 1 ATOM 2491 C CB . ASP A 1 405 ? 14.947 40.051 39.114 1.00 68.70 ? 487 ASP A CB 1 ATOM 2492 C CG . ASP A 1 405 ? 14.012 41.047 38.460 1.00 81.42 ? 487 ASP A CG 1 ATOM 2493 O OD1 . ASP A 1 405 ? 14.472 42.150 38.101 1.00 85.57 ? 487 ASP A OD1 1 ATOM 2494 O OD2 . ASP A 1 405 ? 12.817 40.724 38.299 1.00 86.92 ? 487 ASP A OD2 1 ATOM 2495 N N . ARG A 1 406 ? 17.518 38.168 39.354 1.00 46.90 ? 488 ARG A N 1 ATOM 2496 C CA . ARG A 1 406 ? 18.283 37.306 40.254 1.00 46.81 ? 488 ARG A CA 1 ATOM 2497 C C . ARG A 1 406 ? 19.794 37.541 40.210 1.00 45.94 ? 488 ARG A C 1 ATOM 2498 O O . ARG A 1 406 ? 20.502 37.250 41.174 1.00 62.46 ? 488 ARG A O 1 ATOM 2499 C CB . ARG A 1 406 ? 17.961 35.838 39.966 1.00 38.03 ? 488 ARG A CB 1 ATOM 2500 C CG . ARG A 1 406 ? 16.478 35.544 40.084 1.00 37.55 ? 488 ARG A CG 1 ATOM 2501 C CD . ARG A 1 406 ? 16.109 34.200 39.498 1.00 52.70 ? 488 ARG A CD 1 ATOM 2502 N NE . ARG A 1 406 ? 14.665 34.089 39.345 1.00 54.43 ? 488 ARG A NE 1 ATOM 2503 C CZ . ARG A 1 406 ? 14.041 33.032 38.839 1.00 65.74 ? 488 ARG A CZ 1 ATOM 2504 N NH1 . ARG A 1 406 ? 12.722 33.044 38.725 1.00 60.97 ? 488 ARG A NH1 1 ATOM 2505 N NH2 . ARG A 1 406 ? 14.728 31.961 38.467 1.00 76.03 ? 488 ARG A NH2 1 ATOM 2506 N N . ILE A 1 407 ? 20.283 38.064 39.089 1.00 28.77 ? 489 ILE A N 1 ATOM 2507 C CA . ILE A 1 407 ? 21.702 38.375 38.946 1.00 31.55 ? 489 ILE A CA 1 ATOM 2508 C C . ILE A 1 407 ? 22.093 39.616 39.738 1.00 34.30 ? 489 ILE A C 1 ATOM 2509 O O . ILE A 1 407 ? 21.465 40.668 39.609 1.00 35.87 ? 489 ILE A O 1 ATOM 2510 C CB . ILE A 1 407 ? 22.089 38.598 37.472 1.00 45.55 ? 489 ILE A CB 1 ATOM 2511 C CG1 . ILE A 1 407 ? 21.705 37.391 36.624 1.00 53.03 ? 489 ILE A CG1 1 ATOM 2512 C CG2 . ILE A 1 407 ? 23.579 38.885 37.349 1.00 25.79 ? 489 ILE A CG2 1 ATOM 2513 C CD1 . ILE A 1 407 ? 21.945 37.580 35.145 1.00 53.12 ? 489 ILE A CD1 1 ATOM 2514 N N . GLU A 1 408 ? 23.131 39.483 40.558 1.00 42.60 ? 490 GLU A N 1 ATOM 2515 C CA . GLU A 1 408 ? 23.632 40.592 41.359 1.00 48.33 ? 490 GLU A CA 1 ATOM 2516 C C . GLU A 1 408 ? 24.223 41.696 40.484 1.00 47.97 ? 490 GLU A C 1 ATOM 2517 O O . GLU A 1 408 ? 24.866 41.413 39.472 1.00 50.80 ? 490 GLU A O 1 ATOM 2518 C CB . GLU A 1 408 ? 24.680 40.097 42.359 1.00 51.99 ? 490 GLU A CB 1 ATOM 2519 C CG . GLU A 1 408 ? 24.103 39.450 43.605 1.00 56.32 ? 490 GLU A CG 1 ATOM 2520 C CD . GLU A 1 408 ? 23.428 38.124 43.325 1.00 59.60 ? 490 GLU A CD 1 ATOM 2521 O OE1 . GLU A 1 408 ? 23.886 37.410 42.408 1.00 62.94 ? 490 GLU A OE1 1 ATOM 2522 O OE2 . GLU A 1 408 ? 22.446 37.792 44.025 1.00 55.01 ? 490 GLU A OE2 1 ATOM 2523 N N . PRO A 1 409 ? 23.999 42.962 40.871 1.00 47.05 ? 491 PRO A N 1 ATOM 2524 C CA . PRO A 1 409 ? 24.514 44.128 40.143 1.00 45.79 ? 491 PRO A CA 1 ATOM 2525 C C . PRO A 1 409 ? 26.040 44.189 40.097 1.00 47.33 ? 491 PRO A C 1 ATOM 2526 O O . PRO A 1 409 ? 26.597 44.958 39.313 1.00 53.61 ? 491 PRO A O 1 ATOM 2527 C CB . PRO A 1 409 ? 23.960 45.307 40.947 1.00 43.10 ? 491 PRO A CB 1 ATOM 2528 C CG . PRO A 1 409 ? 22.726 44.779 41.580 1.00 40.96 ? 491 PRO A CG 1 ATOM 2529 C CD . PRO A 1 409 ? 23.045 43.352 41.925 1.00 44.58 ? 491 PRO A CD 1 ATOM 2530 N N . LEU A 1 410 ? 26.703 43.388 40.924 1.00 39.89 ? 492 LEU A N 1 ATOM 2531 C CA . LEU A 1 410 ? 28.157 43.292 40.889 1.00 41.16 ? 492 LEU A CA 1 ATOM 2532 C C . LEU A 1 410 ? 28.612 41.857 40.647 1.00 43.17 ? 492 LEU A C 1 ATOM 2533 O O . LEU A 1 410 ? 28.344 40.965 41.452 1.00 43.52 ? 492 LEU A O 1 ATOM 2534 C CB . LEU A 1 410 ? 28.770 43.824 42.185 1.00 48.94 ? 492 LEU A CB 1 ATOM 2535 C CG . LEU A 1 410 ? 30.289 43.694 42.320 1.00 56.04 ? 492 LEU A CG 1 ATOM 2536 C CD1 . LEU A 1 410 ? 30.995 44.427 41.189 1.00 55.94 ? 492 LEU A CD1 1 ATOM 2537 C CD2 . LEU A 1 410 ? 30.755 44.210 43.673 1.00 62.91 ? 492 LEU A CD2 1 ATOM 2538 N N . THR A 1 411 ? 29.305 41.644 39.534 1.00 46.47 ? 493 THR A N 1 ATOM 2539 C CA . THR A 1 411 ? 29.829 40.326 39.192 1.00 41.83 ? 493 THR A CA 1 ATOM 2540 C C . THR A 1 411 ? 31.349 40.352 39.077 1.00 40.01 ? 493 THR A C 1 ATOM 2541 O O . THR A 1 411 ? 31.968 41.415 39.124 1.00 41.16 ? 493 THR A O 1 ATOM 2542 C CB . THR A 1 411 ? 29.236 39.813 37.868 1.00 40.47 ? 493 THR A CB 1 ATOM 2543 O OG1 . THR A 1 411 ? 29.573 40.720 36.811 1.00 56.58 ? 493 THR A OG1 1 ATOM 2544 C CG2 . THR A 1 411 ? 27.724 39.699 37.967 1.00 28.59 ? 493 THR A CG2 1 ATOM 2545 N N . PHE A 1 412 ? 31.946 39.174 38.927 1.00 40.20 ? 494 PHE A N 1 ATOM 2546 C CA . PHE A 1 412 ? 33.395 39.065 38.793 1.00 49.63 ? 494 PHE A CA 1 ATOM 2547 C C . PHE A 1 412 ? 33.788 38.163 37.627 1.00 45.68 ? 494 PHE A C 1 ATOM 2548 O O . PHE A 1 412 ? 33.325 37.027 37.528 1.00 39.47 ? 494 PHE A O 1 ATOM 2549 C CB . PHE A 1 412 ? 34.021 38.542 40.089 1.00 59.08 ? 494 PHE A CB 1 ATOM 2550 C CG . PHE A 1 412 ? 33.961 39.516 41.230 1.00 63.36 ? 494 PHE A CG 1 ATOM 2551 C CD1 . PHE A 1 412 ? 34.962 40.456 41.409 1.00 59.46 ? 494 PHE A CD1 1 ATOM 2552 C CD2 . PHE A 1 412 ? 32.904 39.490 42.124 1.00 63.88 ? 494 PHE A CD2 1 ATOM 2553 C CE1 . PHE A 1 412 ? 34.910 41.352 42.459 1.00 61.12 ? 494 PHE A CE1 1 ATOM 2554 C CE2 . PHE A 1 412 ? 32.845 40.383 43.176 1.00 61.76 ? 494 PHE A CE2 1 ATOM 2555 C CZ . PHE A 1 412 ? 33.849 41.316 43.344 1.00 62.81 ? 494 PHE A CZ 1 ATOM 2556 N N . TYR A 1 413 ? 34.640 38.674 36.745 1.00 25.68 ? 495 TYR A N 1 ATOM 2557 C CA . TYR A 1 413 ? 35.179 37.867 35.658 1.00 30.66 ? 495 TYR A CA 1 ATOM 2558 C C . TYR A 1 413 ? 36.580 37.397 36.029 1.00 35.53 ? 495 TYR A C 1 ATOM 2559 O O . TYR A 1 413 ? 37.444 38.209 36.363 1.00 38.80 ? 495 TYR A O 1 ATOM 2560 C CB . TYR A 1 413 ? 35.213 38.657 34.349 1.00 24.08 ? 495 TYR A CB 1 ATOM 2561 C CG . TYR A 1 413 ? 35.689 37.842 33.168 1.00 41.24 ? 495 TYR A CG 1 ATOM 2562 C CD1 . TYR A 1 413 ? 34.817 37.000 32.490 1.00 41.99 ? 495 TYR A CD1 1 ATOM 2563 C CD2 . TYR A 1 413 ? 37.006 37.907 32.735 1.00 23.13 ? 495 TYR A CD2 1 ATOM 2564 C CE1 . TYR A 1 413 ? 35.241 36.247 31.412 1.00 38.87 ? 495 TYR A CE1 1 ATOM 2565 C CE2 . TYR A 1 413 ? 37.439 37.156 31.657 1.00 22.23 ? 495 TYR A CE2 1 ATOM 2566 C CZ . TYR A 1 413 ? 36.553 36.328 30.999 1.00 33.08 ? 495 TYR A CZ 1 ATOM 2567 O OH . TYR A 1 413 ? 36.977 35.579 29.924 1.00 25.36 ? 495 TYR A OH 1 ATOM 2568 N N . LEU A 1 414 ? 36.806 36.089 35.967 1.00 41.38 ? 496 LEU A N 1 ATOM 2569 C CA . LEU A 1 414 ? 38.094 35.534 36.368 1.00 48.89 ? 496 LEU A CA 1 ATOM 2570 C C . LEU A 1 414 ? 38.857 34.844 35.243 1.00 53.02 ? 496 LEU A C 1 ATOM 2571 O O . LEU A 1 414 ? 38.269 34.312 34.298 1.00 59.48 ? 496 LEU A O 1 ATOM 2572 C CB . LEU A 1 414 ? 37.921 34.568 37.541 1.00 44.76 ? 496 LEU A CB 1 ATOM 2573 C CG . LEU A 1 414 ? 37.704 35.236 38.902 1.00 47.56 ? 496 LEU A CG 1 ATOM 2574 C CD1 . LEU A 1 414 ? 36.229 35.488 39.185 1.00 35.05 ? 496 LEU A CD1 1 ATOM 2575 C CD2 . LEU A 1 414 ? 38.339 34.406 39.998 1.00 49.82 ? 496 LEU A CD2 1 ATOM 2576 N N . ASP A 1 415 ? 40.181 34.864 35.366 1.00 47.08 ? 497 ASP A N 1 ATOM 2577 C CA . ASP A 1 415 ? 41.077 34.178 34.447 1.00 39.99 ? 497 ASP A CA 1 ATOM 2578 C C . ASP A 1 415 ? 40.874 32.670 34.541 1.00 50.15 ? 497 ASP A C 1 ATOM 2579 O O . ASP A 1 415 ? 40.338 32.181 35.536 1.00 55.98 ? 497 ASP A O 1 ATOM 2580 C CB . ASP A 1 415 ? 42.528 34.534 34.780 1.00 37.53 ? 497 ASP A CB 1 ATOM 2581 C CG . ASP A 1 415 ? 42.862 35.974 34.457 1.00 43.08 ? 497 ASP A CG 1 ATOM 2582 O OD1 . ASP A 1 415 ? 41.923 36.765 34.224 1.00 42.17 ? 497 ASP A OD1 1 ATOM 2583 O OD2 . ASP A 1 415 ? 44.063 36.314 34.435 1.00 48.98 ? 497 ASP A OD2 1 ATOM 2584 N N . PRO A 1 416 ? 41.280 31.928 33.495 1.00 52.18 ? 498 PRO A N 1 ATOM 2585 C CA . PRO A 1 416 ? 41.158 30.467 33.539 1.00 52.89 ? 498 PRO A CA 1 ATOM 2586 C C . PRO A 1 416 ? 41.913 29.885 34.734 1.00 44.90 ? 498 PRO A C 1 ATOM 2587 O O . PRO A 1 416 ? 42.946 30.431 35.126 1.00 37.48 ? 498 PRO A O 1 ATOM 2588 C CB . PRO A 1 416 ? 41.809 29.997 32.231 1.00 45.95 ? 498 PRO A CB 1 ATOM 2589 C CG . PRO A 1 416 ? 42.128 31.213 31.445 1.00 38.67 ? 498 PRO A CG 1 ATOM 2590 C CD . PRO A 1 416 ? 41.664 32.430 32.165 1.00 44.90 ? 498 PRO A CD 1 ATOM 2591 N N . GLN A 1 417 ? 41.371 28.810 35.304 1.00 45.91 ? 499 GLN A N 1 ATOM 2592 C CA . GLN A 1 417 ? 41.946 28.123 36.465 1.00 47.28 ? 499 GLN A CA 1 ATOM 2593 C C . GLN A 1 417 ? 41.894 28.941 37.763 1.00 43.35 ? 499 GLN A C 1 ATOM 2594 O O . GLN A 1 417 ? 42.634 28.661 38.704 1.00 49.47 ? 499 GLN A O 1 ATOM 2595 C CB . GLN A 1 417 ? 43.385 27.671 36.178 1.00 49.33 ? 499 GLN A CB 1 ATOM 2596 C CG . GLN A 1 417 ? 43.535 26.828 34.921 1.00 47.47 ? 499 GLN A CG 1 ATOM 2597 C CD . GLN A 1 417 ? 44.982 26.498 34.609 1.00 44.01 ? 499 GLN A CD 1 ATOM 2598 O OE1 . GLN A 1 417 ? 45.894 26.936 35.309 1.00 36.79 ? 499 GLN A OE1 1 ATOM 2599 N NE2 . GLN A 1 417 ? 45.199 25.723 33.552 1.00 49.30 ? 499 GLN A NE2 1 ATOM 2600 N N . TRP A 1 418 ? 41.028 29.950 37.806 1.00 37.46 ? 500 TRP A N 1 ATOM 2601 C CA . TRP A 1 418 ? 40.907 30.810 38.984 1.00 38.19 ? 500 TRP A CA 1 ATOM 2602 C C . TRP A 1 418 ? 39.478 30.916 39.507 1.00 50.82 ? 500 TRP A C 1 ATOM 2603 O O . TRP A 1 418 ? 38.532 31.050 38.731 1.00 65.27 ? 500 TRP A O 1 ATOM 2604 C CB . TRP A 1 418 ? 41.441 32.214 38.686 1.00 39.63 ? 500 TRP A CB 1 ATOM 2605 C CG . TRP A 1 418 ? 42.935 32.314 38.691 1.00 44.60 ? 500 TRP A CG 1 ATOM 2606 C CD1 . TRP A 1 418 ? 43.790 31.953 37.691 1.00 51.25 ? 500 TRP A CD1 1 ATOM 2607 C CD2 . TRP A 1 418 ? 43.751 32.820 39.754 1.00 47.28 ? 500 TRP A CD2 1 ATOM 2608 N NE1 . TRP A 1 418 ? 45.090 32.199 38.068 1.00 48.52 ? 500 TRP A NE1 1 ATOM 2609 C CE2 . TRP A 1 418 ? 45.092 32.732 39.331 1.00 49.32 ? 500 TRP A CE2 1 ATOM 2610 C CE3 . TRP A 1 418 ? 43.477 33.337 41.024 1.00 44.60 ? 500 TRP A CE3 1 ATOM 2611 C CZ2 . TRP A 1 418 ? 46.156 33.142 40.133 1.00 47.57 ? 500 TRP A CZ2 1 ATOM 2612 C CZ3 . TRP A 1 418 ? 44.533 33.744 41.818 1.00 37.32 ? 500 TRP A CZ3 1 ATOM 2613 C CH2 . TRP A 1 418 ? 45.856 33.644 41.370 1.00 38.60 ? 500 TRP A CH2 1 ATOM 2614 N N . GLN A 1 419 ? 39.332 30.852 40.828 1.00 50.49 ? 501 GLN A N 1 ATOM 2615 C CA . GLN A 1 419 ? 38.034 31.019 41.473 1.00 52.80 ? 501 GLN A CA 1 ATOM 2616 C C . GLN A 1 419 ? 38.095 32.162 42.483 1.00 57.06 ? 501 GLN A C 1 ATOM 2617 O O . GLN A 1 419 ? 39.178 32.549 42.925 1.00 57.74 ? 501 GLN A O 1 ATOM 2618 C CB . GLN A 1 419 ? 37.605 29.731 42.176 1.00 45.53 ? 501 GLN A CB 1 ATOM 2619 C CG . GLN A 1 419 ? 37.515 28.514 41.275 1.00 43.78 ? 501 GLN A CG 1 ATOM 2620 C CD . GLN A 1 419 ? 37.016 27.285 42.012 1.00 43.80 ? 501 GLN A CD 1 ATOM 2621 O OE1 . GLN A 1 419 ? 37.793 26.396 42.361 1.00 40.59 ? 501 GLN A OE1 1 ATOM 2622 N NE2 . GLN A 1 419 ? 35.711 27.232 42.257 1.00 41.61 ? 501 GLN A NE2 1 ATOM 2623 N N . LEU A 1 420 ? 36.936 32.702 42.847 1.00 53.40 ? 502 LEU A N 1 ATOM 2624 C CA . LEU A 1 420 ? 36.883 33.807 43.800 1.00 47.69 ? 502 LEU A CA 1 ATOM 2625 C C . LEU A 1 420 ? 35.903 33.519 44.933 1.00 49.38 ? 502 LEU A C 1 ATOM 2626 O O . LEU A 1 420 ? 34.838 32.942 44.714 1.00 44.21 ? 502 LEU A O 1 ATOM 2627 C CB . LEU A 1 420 ? 36.514 35.112 43.087 1.00 48.89 ? 502 LEU A CB 1 ATOM 2628 C CG . LEU A 1 420 ? 36.638 36.423 43.869 1.00 43.33 ? 502 LEU A CG 1 ATOM 2629 C CD1 . LEU A 1 420 ? 37.095 37.537 42.943 1.00 43.08 ? 502 LEU A CD1 1 ATOM 2630 C CD2 . LEU A 1 420 ? 35.326 36.803 44.539 1.00 37.29 ? 502 LEU A CD2 1 ATOM 2631 N N . ALA A 1 421 ? 36.269 33.928 46.144 1.00 64.31 ? 503 ALA A N 1 ATOM 2632 C CA . ALA A 1 421 ? 35.411 33.751 47.311 1.00 72.83 ? 503 ALA A CA 1 ATOM 2633 C C . ALA A 1 421 ? 35.665 34.849 48.338 1.00 80.46 ? 503 ALA A C 1 ATOM 2634 O O . ALA A 1 421 ? 36.670 35.552 48.266 1.00 81.42 ? 503 ALA A O 1 ATOM 2635 C CB . ALA A 1 421 ? 35.637 32.382 47.931 1.00 71.52 ? 503 ALA A CB 1 ATOM 2636 N N . LEU A 1 422 ? 34.747 35.001 49.288 1.00 80.83 ? 504 LEU A N 1 ATOM 2637 C CA . LEU A 1 422 ? 34.907 35.999 50.341 1.00 76.29 ? 504 LEU A CA 1 ATOM 2638 C C . LEU A 1 422 ? 35.946 35.548 51.360 1.00 71.62 ? 504 LEU A C 1 ATOM 2639 O O . LEU A 1 422 ? 36.963 36.210 51.564 1.00 63.07 ? 504 LEU A O 1 ATOM 2640 C CB . LEU A 1 422 ? 33.568 36.262 51.035 1.00 72.91 ? 504 LEU A CB 1 ATOM 2641 C CG . LEU A 1 422 ? 33.583 37.264 52.193 1.00 64.66 ? 504 LEU A CG 1 ATOM 2642 C CD1 . LEU A 1 422 ? 34.127 38.612 51.744 1.00 62.88 ? 504 LEU A CD1 1 ATOM 2643 C CD2 . LEU A 1 422 ? 32.193 37.412 52.796 1.00 59.59 ? 504 LEU A CD2 1 ATOM 2644 N N . ASN A 1 423 ? 35.677 34.412 51.995 1.00 78.04 ? 505 ASN A N 1 ATOM 2645 C CA . ASN A 1 423 ? 36.587 33.832 52.973 1.00 74.73 ? 505 ASN A CA 1 ATOM 2646 C C . ASN A 1 423 ? 36.922 32.385 52.621 1.00 72.30 ? 505 ASN A C 1 ATOM 2647 O O . ASN A 1 423 ? 36.103 31.687 52.023 1.00 65.91 ? 505 ASN A O 1 ATOM 2648 C CB . ASN A 1 423 ? 35.975 33.907 54.375 1.00 64.56 ? 505 ASN A CB 1 ATOM 2649 N N . PRO A 1 424 ? 38.130 31.930 52.991 1.00 73.21 ? 506 PRO A N 1 ATOM 2650 C CA . PRO A 1 424 ? 38.580 30.555 52.733 1.00 74.56 ? 506 PRO A CA 1 ATOM 2651 C C . PRO A 1 424 ? 37.701 29.484 53.388 1.00 81.68 ? 506 PRO A C 1 ATOM 2652 O O . PRO A 1 424 ? 37.885 28.299 53.114 1.00 78.79 ? 506 PRO A O 1 ATOM 2653 C CB . PRO A 1 424 ? 39.983 30.528 53.349 1.00 41.49 ? 506 PRO A CB 1 ATOM 2654 C CG . PRO A 1 424 ? 40.439 31.937 53.299 1.00 41.69 ? 506 PRO A CG 1 ATOM 2655 C CD . PRO A 1 424 ? 39.210 32.760 53.553 1.00 74.16 ? 506 PRO A CD 1 ATOM 2656 N N . SER A 1 425 ? 36.762 29.895 54.235 1.00 93.61 ? 507 SER A N 1 ATOM 2657 C CA . SER A 1 425 ? 35.869 28.957 54.905 1.00 99.37 ? 507 SER A CA 1 ATOM 2658 C C . SER A 1 425 ? 34.609 28.664 54.096 1.00 95.39 ? 507 SER A C 1 ATOM 2659 O O . SER A 1 425 ? 34.065 27.562 54.163 1.00 89.59 ? 507 SER A O 1 ATOM 2660 C CB . SER A 1 425 ? 35.479 29.497 56.283 1.00 101.42 ? 507 SER A CB 1 ATOM 2661 O OG . SER A 1 425 ? 34.809 30.741 56.172 1.00 95.93 ? 507 SER A OG 1 ATOM 2662 N N . GLU A 1 426 ? 34.150 29.651 53.334 1.00 100.57 ? 508 GLU A N 1 ATOM 2663 C CA . GLU A 1 426 ? 32.930 29.505 52.547 1.00 106.16 ? 508 GLU A CA 1 ATOM 2664 C C . GLU A 1 426 ? 33.096 28.492 51.417 1.00 110.88 ? 508 GLU A C 1 ATOM 2665 O O . GLU A 1 426 ? 32.194 27.698 51.147 1.00 106.71 ? 508 GLU A O 1 ATOM 2666 C CB . GLU A 1 426 ? 32.495 30.858 51.978 1.00 103.99 ? 508 GLU A CB 1 ATOM 2667 N N . ARG A 1 427 ? 34.254 28.526 50.764 1.00 117.45 ? 509 ARG A N 1 ATOM 2668 C CA . ARG A 1 427 ? 34.533 27.642 49.636 1.00 119.30 ? 509 ARG A CA 1 ATOM 2669 C C . ARG A 1 427 ? 34.524 26.171 50.045 1.00 130.91 ? 509 ARG A C 1 ATOM 2670 O O . ARG A 1 427 ? 34.842 25.830 51.184 1.00 139.95 ? 509 ARG A O 1 ATOM 2671 C CB . ARG A 1 427 ? 35.881 27.993 49.004 1.00 111.85 ? 509 ARG A CB 1 ATOM 2672 C CG . ARG A 1 427 ? 37.060 27.861 49.955 1.00 113.42 ? 509 ARG A CG 1 ATOM 2673 C CD . ARG A 1 427 ? 38.383 27.969 49.217 1.00 116.50 ? 509 ARG A CD 1 ATOM 2674 N NE . ARG A 1 427 ? 39.522 27.814 50.118 1.00 129.24 ? 509 ARG A NE 1 ATOM 2675 C CZ . ARG A 1 427 ? 40.029 26.641 50.488 1.00 139.63 ? 509 ARG A CZ 1 ATOM 2676 N NH1 . ARG A 1 427 ? 39.496 25.514 50.037 1.00 141.98 ? 509 ARG A NH1 1 ATOM 2677 N NH2 . ARG A 1 427 ? 41.067 26.595 51.312 1.00 143.03 ? 509 ARG A NH2 1 ATOM 2678 N N . LYS A 1 428 ? 34.154 25.306 49.105 1.00 126.24 ? 510 LYS A N 1 ATOM 2679 C CA . LYS A 1 428 ? 34.149 23.868 49.347 1.00 121.29 ? 510 LYS A CA 1 ATOM 2680 C C . LYS A 1 428 ? 35.576 23.336 49.421 1.00 120.08 ? 510 LYS A C 1 ATOM 2681 O O . LYS A 1 428 ? 35.992 22.785 50.441 1.00 120.10 ? 510 LYS A O 1 ATOM 2682 C CB . LYS A 1 428 ? 33.369 23.142 48.249 1.00 114.40 ? 510 LYS A CB 1 ATOM 2683 N N . TYR A 1 429 ? 36.320 23.505 48.333 1.00 115.19 ? 511 TYR A N 1 ATOM 2684 C CA . TYR A 1 429 ? 37.729 23.129 48.296 1.00 107.75 ? 511 TYR A CA 1 ATOM 2685 C C . TYR A 1 429 ? 38.445 23.915 47.202 1.00 103.37 ? 511 TYR A C 1 ATOM 2686 O O . TYR A 1 429 ? 37.825 24.331 46.223 1.00 106.29 ? 511 TYR A O 1 ATOM 2687 C CB . TYR A 1 429 ? 37.883 21.625 48.074 1.00 100.85 ? 511 TYR A CB 1 ATOM 2688 C CG . TYR A 1 429 ? 39.291 21.114 48.280 1.00 102.16 ? 511 TYR A CG 1 ATOM 2689 C CD1 . TYR A 1 429 ? 39.864 21.095 49.544 1.00 110.37 ? 511 TYR A CD1 1 ATOM 2690 C CD2 . TYR A 1 429 ? 40.048 20.656 47.211 1.00 100.29 ? 511 TYR A CD2 1 ATOM 2691 C CE1 . TYR A 1 429 ? 41.150 20.629 49.738 1.00 114.07 ? 511 TYR A CE1 1 ATOM 2692 C CE2 . TYR A 1 429 ? 41.334 20.188 47.394 1.00 102.75 ? 511 TYR A CE2 1 ATOM 2693 C CZ . TYR A 1 429 ? 41.881 20.177 48.658 1.00 111.01 ? 511 TYR A CZ 1 ATOM 2694 O OH . TYR A 1 429 ? 43.163 19.711 48.841 1.00 113.25 ? 511 TYR A OH 1 ATOM 2695 N N . CYS A 1 430 ? 39.748 24.122 47.366 1.00 97.68 ? 512 CYS A N 1 ATOM 2696 C CA . CYS A 1 430 ? 40.492 24.973 46.442 1.00 90.44 ? 512 CYS A CA 1 ATOM 2697 C C . CYS A 1 430 ? 41.205 24.207 45.328 1.00 76.81 ? 512 CYS A C 1 ATOM 2698 O O . CYS A 1 430 ? 41.337 24.710 44.212 1.00 78.12 ? 512 CYS A O 1 ATOM 2699 C CB . CYS A 1 430 ? 41.498 25.837 47.208 1.00 91.34 ? 512 CYS A CB 1 ATOM 2700 S SG . CYS A 1 430 ? 42.763 24.898 48.099 1.00 95.46 ? 512 CYS A SG 1 ATOM 2701 N N . GLY A 1 431 ? 41.664 22.995 45.627 1.00 65.94 ? 513 GLY A N 1 ATOM 2702 C CA . GLY A 1 431 ? 42.430 22.230 44.660 1.00 60.25 ? 513 GLY A CA 1 ATOM 2703 C C . GLY A 1 431 ? 41.660 21.099 44.006 1.00 60.79 ? 513 GLY A C 1 ATOM 2704 O O . GLY A 1 431 ? 42.228 20.052 43.692 1.00 52.63 ? 513 GLY A O 1 ATOM 2705 N N . SER A 1 432 ? 40.365 21.311 43.794 1.00 63.27 ? 514 SER A N 1 ATOM 2706 C CA . SER A 1 432 ? 39.519 20.324 43.130 1.00 53.68 ? 514 SER A CA 1 ATOM 2707 C C . SER A 1 432 ? 39.106 20.781 41.738 1.00 48.30 ? 514 SER A C 1 ATOM 2708 O O . SER A 1 432 ? 39.209 21.962 41.408 1.00 51.51 ? 514 SER A O 1 ATOM 2709 C CB . SER A 1 432 ? 38.274 20.026 43.966 1.00 57.94 ? 514 SER A CB 1 ATOM 2710 O OG . SER A 1 432 ? 38.578 19.152 45.039 1.00 69.71 ? 514 SER A OG 1 ATOM 2711 N N . GLY A 1 433 ? 38.644 19.837 40.924 1.00 41.67 ? 515 GLY A N 1 ATOM 2712 C CA . GLY A 1 433 ? 38.147 20.158 39.600 1.00 38.46 ? 515 GLY A CA 1 ATOM 2713 C C . GLY A 1 433 ? 36.891 21.000 39.702 1.00 41.21 ? 515 GLY A C 1 ATOM 2714 O O . GLY A 1 433 ? 35.961 20.659 40.436 1.00 41.38 ? 515 GLY A O 1 ATOM 2715 N N . PHE A 1 434 ? 36.863 22.104 38.962 1.00 36.71 ? 516 PHE A N 1 ATOM 2716 C CA . PHE A 1 434 ? 35.731 23.022 38.997 1.00 29.27 ? 516 PHE A CA 1 ATOM 2717 C C . PHE A 1 434 ? 35.256 23.411 37.603 1.00 33.26 ? 516 PHE A C 1 ATOM 2718 O O . PHE A 1 434 ? 35.864 23.044 36.598 1.00 35.09 ? 516 PHE A O 1 ATOM 2719 C CB . PHE A 1 434 ? 36.090 24.285 39.783 1.00 25.25 ? 516 PHE A CB 1 ATOM 2720 C CG . PHE A 1 434 ? 36.977 25.236 39.027 1.00 31.32 ? 516 PHE A CG 1 ATOM 2721 C CD1 . PHE A 1 434 ? 38.346 25.034 38.979 1.00 32.97 ? 516 PHE A CD1 1 ATOM 2722 C CD2 . PHE A 1 434 ? 36.444 26.332 38.367 1.00 38.26 ? 516 PHE A CD2 1 ATOM 2723 C CE1 . PHE A 1 434 ? 39.167 25.906 38.285 1.00 35.37 ? 516 PHE A CE1 1 ATOM 2724 C CE2 . PHE A 1 434 ? 37.261 27.206 37.670 1.00 40.01 ? 516 PHE A CE2 1 ATOM 2725 C CZ . PHE A 1 434 ? 38.624 26.992 37.631 1.00 36.91 ? 516 PHE A CZ 1 ATOM 2726 N N . HIS A 1 435 ? 34.160 24.160 37.558 1.00 33.97 ? 517 HIS A N 1 ATOM 2727 C CA . HIS A 1 435 ? 33.641 24.703 36.310 1.00 32.06 ? 517 HIS A CA 1 ATOM 2728 C C . HIS A 1 435 ? 32.774 25.917 36.620 1.00 34.87 ? 517 HIS A C 1 ATOM 2729 O O . HIS A 1 435 ? 32.415 26.151 37.774 1.00 39.60 ? 517 HIS A O 1 ATOM 2730 C CB . HIS A 1 435 ? 32.844 23.643 35.545 1.00 32.35 ? 517 HIS A CB 1 ATOM 2731 C CG . HIS A 1 435 ? 31.814 22.946 36.377 1.00 35.37 ? 517 HIS A CG 1 ATOM 2732 N ND1 . HIS A 1 435 ? 30.585 23.504 36.656 1.00 36.76 ? 517 HIS A ND1 1 ATOM 2733 C CD2 . HIS A 1 435 ? 31.824 21.736 36.986 1.00 41.84 ? 517 HIS A CD2 1 ATOM 2734 C CE1 . HIS A 1 435 ? 29.886 22.673 37.408 1.00 45.55 ? 517 HIS A CE1 1 ATOM 2735 N NE2 . HIS A 1 435 ? 30.614 21.590 37.621 1.00 44.93 ? 517 HIS A NE2 1 ATOM 2736 N N . GLY A 1 436 ? 32.433 26.682 35.589 1.00 38.01 ? 518 GLY A N 1 ATOM 2737 C CA . GLY A 1 436 ? 31.673 27.904 35.770 1.00 44.37 ? 518 GLY A CA 1 ATOM 2738 C C . GLY A 1 436 ? 32.377 29.087 35.136 1.00 40.30 ? 518 GLY A C 1 ATOM 2739 O O . GLY A 1 436 ? 31.856 30.202 35.121 1.00 38.83 ? 518 GLY A O 1 ATOM 2740 N N . SER A 1 437 ? 33.574 28.836 34.615 1.00 29.12 ? 519 SER A N 1 ATOM 2741 C CA . SER A 1 437 ? 34.364 29.861 33.943 1.00 29.85 ? 519 SER A CA 1 ATOM 2742 C C . SER A 1 437 ? 33.723 30.333 32.641 1.00 35.53 ? 519 SER A C 1 ATOM 2743 O O . SER A 1 437 ? 32.657 29.853 32.251 1.00 41.17 ? 519 SER A O 1 ATOM 2744 C CB . SER A 1 437 ? 35.777 29.345 33.668 1.00 38.20 ? 519 SER A CB 1 ATOM 2745 O OG . SER A 1 437 ? 36.461 29.067 34.878 1.00 47.40 ? 519 SER A OG 1 ATOM 2746 N N . ASP A 1 438 ? 34.381 31.288 31.987 1.00 37.73 ? 520 ASP A N 1 ATOM 2747 C CA . ASP A 1 438 ? 33.916 31.853 30.721 1.00 37.53 ? 520 ASP A CA 1 ATOM 2748 C C . ASP A 1 438 ? 33.621 30.772 29.681 1.00 40.24 ? 520 ASP A C 1 ATOM 2749 O O . ASP A 1 438 ? 34.409 29.847 29.488 1.00 47.24 ? 520 ASP A O 1 ATOM 2750 C CB . ASP A 1 438 ? 34.959 32.834 30.178 1.00 36.53 ? 520 ASP A CB 1 ATOM 2751 C CG . ASP A 1 438 ? 34.492 33.550 28.924 1.00 37.19 ? 520 ASP A CG 1 ATOM 2752 O OD1 . ASP A 1 438 ? 33.278 33.524 28.634 1.00 49.07 ? 520 ASP A OD1 1 ATOM 2753 O OD2 . ASP A 1 438 ? 35.344 34.140 28.229 1.00 30.34 ? 520 ASP A OD2 1 ATOM 2754 N N . ASN A 1 439 ? 32.474 30.898 29.021 1.00 26.60 ? 521 ASN A N 1 ATOM 2755 C CA . ASN A 1 439 ? 32.010 29.888 28.072 1.00 30.65 ? 521 ASN A CA 1 ATOM 2756 C C . ASN A 1 439 ? 32.793 29.832 26.760 1.00 34.33 ? 521 ASN A C 1 ATOM 2757 O O . ASN A 1 439 ? 32.513 28.998 25.899 1.00 39.28 ? 521 ASN A O 1 ATOM 2758 C CB . ASN A 1 439 ? 30.515 30.052 27.793 1.00 24.83 ? 521 ASN A CB 1 ATOM 2759 C CG . ASN A 1 439 ? 30.164 31.436 27.292 1.00 30.79 ? 521 ASN A CG 1 ATOM 2760 O OD1 . ASN A 1 439 ? 31.023 32.314 27.212 1.00 41.00 ? 521 ASN A OD1 1 ATOM 2761 N ND2 . ASN A 1 439 ? 28.896 31.641 26.955 1.00 19.57 ? 521 ASN A ND2 1 ATOM 2762 N N . LEU A 1 440 ? 33.774 30.716 26.612 1.00 30.06 ? 522 LEU A N 1 ATOM 2763 C CA . LEU A 1 440 ? 34.646 30.699 25.444 1.00 27.71 ? 522 LEU A CA 1 ATOM 2764 C C . LEU A 1 440 ? 35.977 30.023 25.749 1.00 27.59 ? 522 LEU A C 1 ATOM 2765 O O . LEU A 1 440 ? 36.830 29.892 24.872 1.00 15.69 ? 522 LEU A O 1 ATOM 2766 C CB . LEU A 1 440 ? 34.883 32.113 24.911 1.00 27.61 ? 522 LEU A CB 1 ATOM 2767 C CG . LEU A 1 440 ? 33.739 32.757 24.124 1.00 27.32 ? 522 LEU A CG 1 ATOM 2768 C CD1 . LEU A 1 440 ? 34.192 34.073 23.514 1.00 22.19 ? 522 LEU A CD1 1 ATOM 2769 C CD2 . LEU A 1 440 ? 33.226 31.814 23.048 1.00 22.07 ? 522 LEU A CD2 1 ATOM 2770 N N . PHE A 1 441 ? 36.151 29.598 26.995 1.00 30.11 ? 523 PHE A N 1 ATOM 2771 C CA . PHE A 1 441 ? 37.370 28.905 27.393 1.00 33.93 ? 523 PHE A CA 1 ATOM 2772 C C . PHE A 1 441 ? 37.412 27.501 26.800 1.00 31.91 ? 523 PHE A C 1 ATOM 2773 O O . PHE A 1 441 ? 36.375 26.861 26.622 1.00 23.53 ? 523 PHE A O 1 ATOM 2774 C CB . PHE A 1 441 ? 37.495 28.847 28.919 1.00 33.87 ? 523 PHE A CB 1 ATOM 2775 C CG . PHE A 1 441 ? 37.830 30.170 29.555 1.00 32.29 ? 523 PHE A CG 1 ATOM 2776 C CD1 . PHE A 1 441 ? 38.170 31.263 28.777 1.00 30.94 ? 523 PHE A CD1 1 ATOM 2777 C CD2 . PHE A 1 441 ? 37.807 30.317 30.932 1.00 34.51 ? 523 PHE A CD2 1 ATOM 2778 C CE1 . PHE A 1 441 ? 38.481 32.476 29.359 1.00 31.99 ? 523 PHE A CE1 1 ATOM 2779 C CE2 . PHE A 1 441 ? 38.116 31.528 31.520 1.00 35.30 ? 523 PHE A CE2 1 ATOM 2780 C CZ . PHE A 1 441 ? 38.454 32.609 30.732 1.00 36.17 ? 523 PHE A CZ 1 ATOM 2781 N N . SER A 1 442 ? 38.619 27.036 26.494 1.00 30.36 ? 524 SER A N 1 ATOM 2782 C CA . SER A 1 442 ? 38.822 25.757 25.820 1.00 32.43 ? 524 SER A CA 1 ATOM 2783 C C . SER A 1 442 ? 38.266 24.558 26.589 1.00 32.11 ? 524 SER A C 1 ATOM 2784 O O . SER A 1 442 ? 37.628 23.680 26.008 1.00 25.28 ? 524 SER A O 1 ATOM 2785 C CB . SER A 1 442 ? 40.311 25.541 25.537 1.00 40.20 ? 524 SER A CB 1 ATOM 2786 O OG . SER A 1 442 ? 40.543 24.262 24.974 1.00 44.39 ? 524 SER A OG 1 ATOM 2787 N N . ASN A 1 443 ? 38.511 24.525 27.896 1.00 32.85 ? 525 ASN A N 1 ATOM 2788 C CA . ASN A 1 443 ? 38.088 23.392 28.718 1.00 31.15 ? 525 ASN A CA 1 ATOM 2789 C C . ASN A 1 443 ? 36.657 23.476 29.249 1.00 27.10 ? 525 ASN A C 1 ATOM 2790 O O . ASN A 1 443 ? 36.180 22.543 29.893 1.00 27.39 ? 525 ASN A O 1 ATOM 2791 C CB . ASN A 1 443 ? 39.059 23.196 29.886 1.00 33.07 ? 525 ASN A CB 1 ATOM 2792 C CG . ASN A 1 443 ? 40.468 22.877 29.423 1.00 27.40 ? 525 ASN A CG 1 ATOM 2793 O OD1 . ASN A 1 443 ? 41.448 23.328 30.016 1.00 28.38 ? 525 ASN A OD1 1 ATOM 2794 N ND2 . ASN A 1 443 ? 40.576 22.105 28.348 1.00 32.17 ? 525 ASN A ND2 1 HETATM 2795 N N . MSE A 1 444 ? 35.971 24.582 28.980 1.00 22.20 ? 526 MSE A N 1 HETATM 2796 C CA . MSE A 1 444 ? 34.578 24.724 29.389 1.00 15.92 ? 526 MSE A CA 1 HETATM 2797 C C . MSE A 1 444 ? 33.639 24.174 28.324 1.00 25.02 ? 526 MSE A C 1 HETATM 2798 O O . MSE A 1 444 ? 32.424 24.122 28.519 1.00 25.38 ? 526 MSE A O 1 HETATM 2799 C CB . MSE A 1 444 ? 34.244 26.190 29.675 1.00 55.65 ? 526 MSE A CB 1 HETATM 2800 C CG . MSE A 1 444 ? 34.860 26.746 30.953 1.00 60.87 ? 526 MSE A CG 1 HETATM 2801 SE SE . MSE A 1 444 ? 34.209 25.867 32.574 1.00 55.39 ? 526 MSE A SE 1 HETATM 2802 C CE . MSE A 1 444 ? 35.620 24.542 32.803 1.00 32.41 ? 526 MSE A CE 1 ATOM 2803 N N . GLN A 1 445 ? 34.215 23.760 27.200 1.00 24.07 ? 527 GLN A N 1 ATOM 2804 C CA . GLN A 1 445 ? 33.444 23.287 26.056 1.00 28.06 ? 527 GLN A CA 1 ATOM 2805 C C . GLN A 1 445 ? 32.742 21.962 26.334 1.00 29.95 ? 527 GLN A C 1 ATOM 2806 O O . GLN A 1 445 ? 33.266 21.103 27.044 1.00 29.78 ? 527 GLN A O 1 ATOM 2807 C CB . GLN A 1 445 ? 34.342 23.170 24.826 1.00 13.32 ? 527 GLN A CB 1 ATOM 2808 C CG . GLN A 1 445 ? 34.944 24.494 24.403 1.00 21.38 ? 527 GLN A CG 1 ATOM 2809 C CD . GLN A 1 445 ? 33.887 25.548 24.139 1.00 23.53 ? 527 GLN A CD 1 ATOM 2810 O OE1 . GLN A 1 445 ? 32.914 25.303 23.425 1.00 22.86 ? 527 GLN A OE1 1 ATOM 2811 N NE2 . GLN A 1 445 ? 34.067 26.727 24.724 1.00 23.04 ? 527 GLN A NE2 1 ATOM 2812 N N . ALA A 1 446 ? 31.551 21.806 25.764 1.00 12.84 ? 528 ALA A N 1 ATOM 2813 C CA . ALA A 1 446 ? 30.718 20.640 26.029 1.00 12.64 ? 528 ALA A CA 1 ATOM 2814 C C . ALA A 1 446 ? 30.686 19.651 24.863 1.00 39.72 ? 528 ALA A C 1 ATOM 2815 O O . ALA A 1 446 ? 31.329 19.861 23.834 1.00 36.79 ? 528 ALA A O 1 ATOM 2816 C CB . ALA A 1 446 ? 29.307 21.076 26.394 1.00 46.71 ? 528 ALA A CB 1 ATOM 2817 N N . LEU A 1 447 ? 29.935 18.569 25.045 1.00 40.54 ? 529 LEU A N 1 ATOM 2818 C CA . LEU A 1 447 ? 29.859 17.488 24.070 1.00 33.06 ? 529 LEU A CA 1 ATOM 2819 C C . LEU A 1 447 ? 28.561 17.542 23.272 1.00 30.21 ? 529 LEU A C 1 ATOM 2820 O O . LEU A 1 447 ? 27.514 17.914 23.801 1.00 21.59 ? 529 LEU A O 1 ATOM 2821 C CB . LEU A 1 447 ? 29.960 16.138 24.790 1.00 11.66 ? 529 LEU A CB 1 ATOM 2822 C CG . LEU A 1 447 ? 29.775 14.858 23.970 1.00 15.80 ? 529 LEU A CG 1 ATOM 2823 C CD1 . LEU A 1 447 ? 30.962 14.624 23.050 1.00 12.86 ? 529 LEU A CD1 1 ATOM 2824 C CD2 . LEU A 1 447 ? 29.552 13.661 24.879 1.00 12.08 ? 529 LEU A CD2 1 ATOM 2825 N N . PHE A 1 448 ? 28.638 17.171 21.998 1.00 34.82 ? 530 PHE A N 1 ATOM 2826 C CA . PHE A 1 448 ? 27.445 17.002 21.177 1.00 30.36 ? 530 PHE A CA 1 ATOM 2827 C C . PHE A 1 448 ? 27.650 15.937 20.105 1.00 24.05 ? 530 PHE A C 1 ATOM 2828 O O . PHE A 1 448 ? 28.539 16.049 19.263 1.00 24.49 ? 530 PHE A O 1 ATOM 2829 C CB . PHE A 1 448 ? 27.018 18.319 20.518 1.00 30.63 ? 530 PHE A CB 1 ATOM 2830 C CG . PHE A 1 448 ? 25.793 18.194 19.648 1.00 34.58 ? 530 PHE A CG 1 ATOM 2831 C CD1 . PHE A 1 448 ? 25.908 17.910 18.295 1.00 33.28 ? 530 PHE A CD1 1 ATOM 2832 C CD2 . PHE A 1 448 ? 24.525 18.349 20.187 1.00 40.25 ? 530 PHE A CD2 1 ATOM 2833 C CE1 . PHE A 1 448 ? 24.787 17.791 17.497 1.00 36.16 ? 530 PHE A CE1 1 ATOM 2834 C CE2 . PHE A 1 448 ? 23.400 18.230 19.391 1.00 46.66 ? 530 PHE A CE2 1 ATOM 2835 C CZ . PHE A 1 448 ? 23.533 17.950 18.045 1.00 41.75 ? 530 PHE A CZ 1 ATOM 2836 N N . ILE A 1 449 ? 26.813 14.906 20.148 1.00 21.04 ? 531 ILE A N 1 ATOM 2837 C CA . ILE A 1 449 ? 26.783 13.894 19.101 1.00 16.56 ? 531 ILE A CA 1 ATOM 2838 C C . ILE A 1 449 ? 25.342 13.581 18.727 1.00 16.75 ? 531 ILE A C 1 ATOM 2839 O O . ILE A 1 449 ? 24.555 13.139 19.564 1.00 26.05 ? 531 ILE A O 1 ATOM 2840 C CB . ILE A 1 449 ? 27.490 12.590 19.523 1.00 19.36 ? 531 ILE A CB 1 ATOM 2841 C CG1 . ILE A 1 449 ? 28.980 12.838 19.769 1.00 19.76 ? 531 ILE A CG1 1 ATOM 2842 C CG2 . ILE A 1 449 ? 27.308 11.520 18.460 1.00 9.24 ? 531 ILE A CG2 1 ATOM 2843 C CD1 . ILE A 1 449 ? 29.767 11.586 20.095 1.00 23.29 ? 531 ILE A CD1 1 ATOM 2844 N N . GLY A 1 450 ? 25.000 13.814 17.466 1.00 22.09 ? 532 GLY A N 1 ATOM 2845 C CA . GLY A 1 450 ? 23.672 13.504 16.976 1.00 21.59 ? 532 GLY A CA 1 ATOM 2846 C C . GLY A 1 450 ? 23.704 12.245 16.137 1.00 26.13 ? 532 GLY A C 1 ATOM 2847 O O . GLY A 1 450 ? 24.361 12.198 15.098 1.00 30.22 ? 532 GLY A O 1 ATOM 2848 N N . TYR A 1 451 ? 22.989 11.221 16.588 1.00 24.29 ? 533 TYR A N 1 ATOM 2849 C CA . TYR A 1 451 ? 22.936 9.960 15.864 1.00 22.86 ? 533 TYR A CA 1 ATOM 2850 C C . TYR A 1 451 ? 21.495 9.525 15.635 1.00 27.10 ? 533 TYR A C 1 ATOM 2851 O O . TYR A 1 451 ? 20.621 9.765 16.468 1.00 32.13 ? 533 TYR A O 1 ATOM 2852 C CB . TYR A 1 451 ? 23.707 8.870 16.610 1.00 24.79 ? 533 TYR A CB 1 ATOM 2853 C CG . TYR A 1 451 ? 23.649 7.516 15.941 1.00 26.91 ? 533 TYR A CG 1 ATOM 2854 C CD1 . TYR A 1 451 ? 22.711 6.565 16.326 1.00 25.75 ? 533 TYR A CD1 1 ATOM 2855 C CD2 . TYR A 1 451 ? 24.529 7.189 14.920 1.00 32.70 ? 533 TYR A CD2 1 ATOM 2856 C CE1 . TYR A 1 451 ? 22.654 5.329 15.714 1.00 26.51 ? 533 TYR A CE1 1 ATOM 2857 C CE2 . TYR A 1 451 ? 24.480 5.956 14.303 1.00 42.63 ? 533 TYR A CE2 1 ATOM 2858 C CZ . TYR A 1 451 ? 23.541 5.030 14.703 1.00 39.85 ? 533 TYR A CZ 1 ATOM 2859 O OH . TYR A 1 451 ? 23.490 3.799 14.090 1.00 40.63 ? 533 TYR A OH 1 ATOM 2860 N N . GLY A 1 452 ? 21.255 8.885 14.497 1.00 29.62 ? 534 GLY A N 1 ATOM 2861 C CA . GLY A 1 452 ? 19.929 8.414 14.151 1.00 30.77 ? 534 GLY A CA 1 ATOM 2862 C C . GLY A 1 452 ? 19.645 8.613 12.677 1.00 36.27 ? 534 GLY A C 1 ATOM 2863 O O . GLY A 1 452 ? 20.515 9.062 11.931 1.00 45.23 ? 534 GLY A O 1 ATOM 2864 N N . PRO A 1 453 ? 18.421 8.278 12.248 1.00 27.80 ? 535 PRO A N 1 ATOM 2865 C CA . PRO A 1 453 ? 18.011 8.424 10.848 1.00 30.35 ? 535 PRO A CA 1 ATOM 2866 C C . PRO A 1 453 ? 17.971 9.884 10.408 1.00 34.38 ? 535 PRO A C 1 ATOM 2867 O O . PRO A 1 453 ? 18.153 10.173 9.225 1.00 42.95 ? 535 PRO A O 1 ATOM 2868 C CB . PRO A 1 453 ? 16.597 7.833 10.837 1.00 24.68 ? 535 PRO A CB 1 ATOM 2869 C CG . PRO A 1 453 ? 16.127 7.940 12.246 1.00 21.86 ? 535 PRO A CG 1 ATOM 2870 C CD . PRO A 1 453 ? 17.345 7.723 13.085 1.00 21.61 ? 535 PRO A CD 1 ATOM 2871 N N . ALA A 1 454 ? 17.736 10.789 11.351 1.00 24.22 ? 536 ALA A N 1 ATOM 2872 C CA . ALA A 1 454 ? 17.606 12.206 11.033 1.00 20.08 ? 536 ALA A CA 1 ATOM 2873 C C . ALA A 1 454 ? 18.956 12.905 10.898 1.00 17.96 ? 536 ALA A C 1 ATOM 2874 O O . ALA A 1 454 ? 19.052 13.968 10.288 1.00 24.61 ? 536 ALA A O 1 ATOM 2875 C CB . ALA A 1 454 ? 16.754 12.902 12.080 1.00 22.52 ? 536 ALA A CB 1 ATOM 2876 N N . PHE A 1 455 ? 19.997 12.308 11.470 1.00 20.00 ? 537 PHE A N 1 ATOM 2877 C CA . PHE A 1 455 ? 21.324 12.913 11.435 1.00 23.55 ? 537 PHE A CA 1 ATOM 2878 C C . PHE A 1 455 ? 22.211 12.288 10.364 1.00 25.47 ? 537 PHE A C 1 ATOM 2879 O O . PHE A 1 455 ? 22.115 11.093 10.087 1.00 32.93 ? 537 PHE A O 1 ATOM 2880 C CB . PHE A 1 455 ? 22.004 12.806 12.803 1.00 23.76 ? 537 PHE A CB 1 ATOM 2881 C CG . PHE A 1 455 ? 21.347 13.628 13.877 1.00 24.12 ? 537 PHE A CG 1 ATOM 2882 C CD1 . PHE A 1 455 ? 21.519 15.003 13.919 1.00 26.30 ? 537 PHE A CD1 1 ATOM 2883 C CD2 . PHE A 1 455 ? 20.562 13.025 14.847 1.00 18.74 ? 537 PHE A CD2 1 ATOM 2884 C CE1 . PHE A 1 455 ? 20.917 15.761 14.907 1.00 30.91 ? 537 PHE A CE1 1 ATOM 2885 C CE2 . PHE A 1 455 ? 19.958 13.777 15.836 1.00 20.37 ? 537 PHE A CE2 1 ATOM 2886 C CZ . PHE A 1 455 ? 20.136 15.148 15.867 1.00 24.50 ? 537 PHE A CZ 1 ATOM 2887 N N . LYS A 1 456 ? 23.077 13.104 9.769 1.00 24.04 ? 538 LYS A N 1 ATOM 2888 C CA . LYS A 1 456 ? 24.023 12.627 8.766 1.00 18.94 ? 538 LYS A CA 1 ATOM 2889 C C . LYS A 1 456 ? 25.040 11.686 9.402 1.00 22.36 ? 538 LYS A C 1 ATOM 2890 O O . LYS A 1 456 ? 25.190 11.652 10.624 1.00 35.20 ? 538 LYS A O 1 ATOM 2891 C CB . LYS A 1 456 ? 24.737 13.805 8.101 1.00 8.97 ? 538 LYS A CB 1 ATOM 2892 C CG . LYS A 1 456 ? 23.797 14.752 7.375 1.00 15.77 ? 538 LYS A CG 1 ATOM 2893 C CD . LYS A 1 456 ? 24.550 15.898 6.722 1.00 23.71 ? 538 LYS A CD 1 ATOM 2894 C CE . LYS A 1 456 ? 23.604 16.806 5.952 1.00 29.93 ? 538 LYS A CE 1 ATOM 2895 N NZ . LYS A 1 456 ? 24.303 17.948 5.301 1.00 41.03 ? 538 LYS A NZ 1 ATOM 2896 N N . HIS A 1 457 ? 25.743 10.925 8.571 1.00 19.73 ? 539 HIS A N 1 ATOM 2897 C CA . HIS A 1 457 ? 26.673 9.919 9.074 1.00 25.95 ? 539 HIS A CA 1 ATOM 2898 C C . HIS A 1 457 ? 28.140 10.292 8.851 1.00 23.93 ? 539 HIS A C 1 ATOM 2899 O O . HIS A 1 457 ? 28.614 10.344 7.718 1.00 31.21 ? 539 HIS A O 1 ATOM 2900 C CB . HIS A 1 457 ? 26.370 8.555 8.445 1.00 15.32 ? 539 HIS A CB 1 ATOM 2901 C CG . HIS A 1 457 ? 24.988 8.055 8.728 1.00 16.25 ? 539 HIS A CG 1 ATOM 2902 N ND1 . HIS A 1 457 ? 24.665 7.362 9.875 1.00 27.10 ? 539 HIS A ND1 1 ATOM 2903 C CD2 . HIS A 1 457 ? 23.841 8.159 8.016 1.00 26.29 ? 539 HIS A CD2 1 ATOM 2904 C CE1 . HIS A 1 457 ? 23.380 7.056 9.855 1.00 36.90 ? 539 HIS A CE1 1 ATOM 2905 N NE2 . HIS A 1 457 ? 22.857 7.529 8.738 1.00 35.43 ? 539 HIS A NE2 1 ATOM 2906 N N . GLY A 1 458 ? 28.857 10.538 9.942 1.00 21.51 ? 540 GLY A N 1 ATOM 2907 C CA . GLY A 1 458 ? 30.264 10.884 9.864 1.00 27.06 ? 540 GLY A CA 1 ATOM 2908 C C . GLY A 1 458 ? 30.501 12.322 9.451 1.00 18.78 ? 540 GLY A C 1 ATOM 2909 O O . GLY A 1 458 ? 31.522 12.643 8.844 1.00 26.15 ? 540 GLY A O 1 ATOM 2910 N N . ALA A 1 459 ? 29.552 13.191 9.779 1.00 17.07 ? 541 ALA A N 1 ATOM 2911 C CA . ALA A 1 459 ? 29.660 14.606 9.442 1.00 21.97 ? 541 ALA A CA 1 ATOM 2912 C C . ALA A 1 459 ? 30.141 15.422 10.637 1.00 19.59 ? 541 ALA A C 1 ATOM 2913 O O . ALA A 1 459 ? 29.531 15.391 11.707 1.00 19.04 ? 541 ALA A O 1 ATOM 2914 C CB . ALA A 1 459 ? 28.322 15.132 8.941 1.00 18.80 ? 541 ALA A CB 1 ATOM 2915 N N . GLU A 1 460 ? 31.236 16.153 10.450 1.00 13.93 ? 542 GLU A N 1 ATOM 2916 C CA . GLU A 1 460 ? 31.763 17.016 11.501 1.00 16.11 ? 542 GLU A CA 1 ATOM 2917 C C . GLU A 1 460 ? 31.543 18.492 11.191 1.00 8.29 ? 542 GLU A C 1 ATOM 2918 O O . GLU A 1 460 ? 32.057 19.012 10.200 1.00 38.16 ? 542 GLU A O 1 ATOM 2919 C CB . GLU A 1 460 ? 33.252 16.750 11.726 1.00 23.17 ? 542 GLU A CB 1 ATOM 2920 C CG . GLU A 1 460 ? 33.898 17.689 12.732 1.00 38.08 ? 542 GLU A CG 1 ATOM 2921 C CD . GLU A 1 460 ? 35.313 17.282 13.084 1.00 52.34 ? 542 GLU A CD 1 ATOM 2922 O OE1 . GLU A 1 460 ? 36.160 18.181 13.277 1.00 56.02 ? 542 GLU A OE1 1 ATOM 2923 O OE2 . GLU A 1 460 ? 35.577 16.064 13.171 1.00 55.27 ? 542 GLU A OE2 1 ATOM 2924 N N . VAL A 1 461 ? 30.775 19.162 12.045 1.00 8.29 ? 543 VAL A N 1 ATOM 2925 C CA . VAL A 1 461 ? 30.431 20.564 11.834 1.00 26.44 ? 543 VAL A CA 1 ATOM 2926 C C . VAL A 1 461 ? 31.174 21.506 12.784 1.00 24.53 ? 543 VAL A C 1 ATOM 2927 O O . VAL A 1 461 ? 31.840 21.066 13.724 1.00 20.66 ? 543 VAL A O 1 ATOM 2928 C CB . VAL A 1 461 ? 28.919 20.787 11.987 1.00 24.96 ? 543 VAL A CB 1 ATOM 2929 C CG1 . VAL A 1 461 ? 28.157 19.789 11.136 1.00 35.73 ? 543 VAL A CG1 1 ATOM 2930 C CG2 . VAL A 1 461 ? 28.515 20.662 13.449 1.00 23.27 ? 543 VAL A CG2 1 ATOM 2931 N N . ASP A 1 462 ? 31.055 22.805 12.525 1.00 29.74 ? 544 ASP A N 1 ATOM 2932 C CA . ASP A 1 462 ? 31.703 23.826 13.343 1.00 29.12 ? 544 ASP A CA 1 ATOM 2933 C C . ASP A 1 462 ? 30.946 24.012 14.655 1.00 28.35 ? 544 ASP A C 1 ATOM 2934 O O . ASP A 1 462 ? 29.830 23.515 14.811 1.00 26.46 ? 544 ASP A O 1 ATOM 2935 C CB . ASP A 1 462 ? 31.784 25.147 12.579 1.00 35.48 ? 544 ASP A CB 1 ATOM 2936 C CG . ASP A 1 462 ? 33.031 25.943 12.922 1.00 54.18 ? 544 ASP A CG 1 ATOM 2937 O OD1 . ASP A 1 462 ? 33.604 25.716 14.009 1.00 58.80 ? 544 ASP A OD1 1 ATOM 2938 O OD2 . ASP A 1 462 ? 33.436 26.797 12.106 1.00 61.94 ? 544 ASP A OD2 1 ATOM 2939 N N . SER A 1 463 ? 31.559 24.727 15.594 1.00 27.85 ? 545 SER A N 1 ATOM 2940 C CA . SER A 1 463 ? 30.994 24.898 16.930 1.00 21.53 ? 545 SER A CA 1 ATOM 2941 C C . SER A 1 463 ? 29.674 25.668 16.939 1.00 14.56 ? 545 SER A C 1 ATOM 2942 O O . SER A 1 463 ? 29.453 26.549 16.108 1.00 17.16 ? 545 SER A O 1 ATOM 2943 C CB . SER A 1 463 ? 32.004 25.600 17.846 1.00 26.73 ? 545 SER A CB 1 ATOM 2944 O OG . SER A 1 463 ? 32.278 26.917 17.397 1.00 39.84 ? 545 SER A OG 1 ATOM 2945 N N . PHE A 1 464 ? 28.800 25.331 17.883 1.00 16.79 ? 546 PHE A N 1 ATOM 2946 C CA . PHE A 1 464 ? 27.542 26.056 18.052 1.00 20.92 ? 546 PHE A CA 1 ATOM 2947 C C . PHE A 1 464 ? 27.069 26.050 19.507 1.00 35.78 ? 546 PHE A C 1 ATOM 2948 O O . PHE A 1 464 ? 27.465 25.192 20.296 1.00 40.62 ? 546 PHE A O 1 ATOM 2949 C CB . PHE A 1 464 ? 26.457 25.498 17.124 1.00 17.49 ? 546 PHE A CB 1 ATOM 2950 C CG . PHE A 1 464 ? 26.169 24.037 17.322 1.00 22.45 ? 546 PHE A CG 1 ATOM 2951 C CD1 . PHE A 1 464 ? 25.189 23.624 18.209 1.00 14.87 ? 546 PHE A CD1 1 ATOM 2952 C CD2 . PHE A 1 464 ? 26.868 23.075 16.612 1.00 9.17 ? 546 PHE A CD2 1 ATOM 2953 C CE1 . PHE A 1 464 ? 24.918 22.279 18.387 1.00 19.90 ? 546 PHE A CE1 1 ATOM 2954 C CE2 . PHE A 1 464 ? 26.601 21.731 16.786 1.00 15.01 ? 546 PHE A CE2 1 ATOM 2955 C CZ . PHE A 1 464 ? 25.626 21.332 17.674 1.00 9.07 ? 546 PHE A CZ 1 ATOM 2956 N N . GLU A 1 465 ? 26.218 27.013 19.849 1.00 40.58 ? 547 GLU A N 1 ATOM 2957 C CA . GLU A 1 465 ? 25.701 27.155 21.209 1.00 41.67 ? 547 GLU A CA 1 ATOM 2958 C C . GLU A 1 465 ? 24.593 26.150 21.520 1.00 42.80 ? 547 GLU A C 1 ATOM 2959 O O . GLU A 1 465 ? 23.944 25.623 20.618 1.00 52.84 ? 547 GLU A O 1 ATOM 2960 C CB . GLU A 1 465 ? 25.190 28.579 21.434 1.00 46.56 ? 547 GLU A CB 1 ATOM 2961 C CG . GLU A 1 465 ? 26.297 29.619 21.452 1.00 47.16 ? 547 GLU A CG 1 ATOM 2962 C CD . GLU A 1 465 ? 25.774 31.041 21.460 1.00 53.21 ? 547 GLU A CD 1 ATOM 2963 O OE1 . GLU A 1 465 ? 24.669 31.278 20.928 1.00 59.88 ? 547 GLU A OE1 1 ATOM 2964 O OE2 . GLU A 1 465 ? 26.473 31.926 21.999 1.00 50.07 ? 547 GLU A OE2 1 ATOM 2965 N N . ASN A 1 466 ? 24.386 25.890 22.807 1.00 36.17 ? 548 ASN A N 1 ATOM 2966 C CA . ASN A 1 466 ? 23.405 24.904 23.250 1.00 25.93 ? 548 ASN A CA 1 ATOM 2967 C C . ASN A 1 466 ? 21.961 25.391 23.151 1.00 29.89 ? 548 ASN A C 1 ATOM 2968 O O . ASN A 1 466 ? 21.023 24.597 23.234 1.00 39.64 ? 548 ASN A O 1 ATOM 2969 C CB . ASN A 1 466 ? 23.717 24.427 24.672 1.00 27.63 ? 548 ASN A CB 1 ATOM 2970 C CG . ASN A 1 466 ? 23.758 25.564 25.678 1.00 32.81 ? 548 ASN A CG 1 ATOM 2971 O OD1 . ASN A 1 466 ? 23.634 26.735 25.317 1.00 37.59 ? 548 ASN A OD1 1 ATOM 2972 N ND2 . ASN A 1 466 ? 23.930 25.222 26.950 1.00 26.72 ? 548 ASN A ND2 1 ATOM 2973 N N . ILE A 1 467 ? 21.784 26.697 22.977 1.00 23.59 ? 549 ILE A N 1 ATOM 2974 C CA . ILE A 1 467 ? 20.451 27.272 22.839 1.00 23.66 ? 549 ILE A CA 1 ATOM 2975 C C . ILE A 1 467 ? 19.872 26.980 21.456 1.00 31.43 ? 549 ILE A C 1 ATOM 2976 O O . ILE A 1 467 ? 18.689 27.212 21.205 1.00 42.46 ? 549 ILE A O 1 ATOM 2977 C CB . ILE A 1 467 ? 20.453 28.793 23.074 1.00 27.83 ? 549 ILE A CB 1 ATOM 2978 C CG1 . ILE A 1 467 ? 21.282 29.495 21.997 1.00 34.26 ? 549 ILE A CG1 1 ATOM 2979 C CG2 . ILE A 1 467 ? 20.969 29.118 24.465 1.00 28.57 ? 549 ILE A CG2 1 ATOM 2980 C CD1 . ILE A 1 467 ? 21.195 31.000 22.044 1.00 23.26 ? 549 ILE A CD1 1 ATOM 2981 N N . GLU A 1 468 ? 20.717 26.474 20.562 1.00 29.29 ? 550 GLU A N 1 ATOM 2982 C CA . GLU A 1 468 ? 20.304 26.144 19.202 1.00 22.37 ? 550 GLU A CA 1 ATOM 2983 C C . GLU A 1 468 ? 19.630 24.777 19.145 1.00 18.28 ? 550 GLU A C 1 ATOM 2984 O O . GLU A 1 468 ? 18.897 24.478 18.205 1.00 19.19 ? 550 GLU A O 1 ATOM 2985 C CB . GLU A 1 468 ? 21.511 26.164 18.259 1.00 20.02 ? 550 GLU A CB 1 ATOM 2986 C CG . GLU A 1 468 ? 22.338 27.441 18.317 1.00 36.41 ? 550 GLU A CG 1 ATOM 2987 C CD . GLU A 1 468 ? 21.620 28.639 17.722 1.00 36.91 ? 550 GLU A CD 1 ATOM 2988 O OE1 . GLU A 1 468 ? 20.617 28.438 17.005 1.00 31.15 ? 550 GLU A OE1 1 ATOM 2989 O OE2 . GLU A 1 468 ? 22.062 29.781 17.971 1.00 36.50 ? 550 GLU A OE2 1 ATOM 2990 N N . VAL A 1 469 ? 19.887 23.950 20.154 1.00 22.73 ? 551 VAL A N 1 ATOM 2991 C CA . VAL A 1 469 ? 19.358 22.589 20.193 1.00 31.58 ? 551 VAL A CA 1 ATOM 2992 C C . VAL A 1 469 ? 17.837 22.527 20.370 1.00 27.40 ? 551 VAL A C 1 ATOM 2993 O O . VAL A 1 469 ? 17.185 21.618 19.852 1.00 28.10 ? 551 VAL A O 1 ATOM 2994 C CB . VAL A 1 469 ? 20.087 21.737 21.270 1.00 15.80 ? 551 VAL A CB 1 ATOM 2995 C CG1 . VAL A 1 469 ? 19.136 20.769 21.969 1.00 19.31 ? 551 VAL A CG1 1 ATOM 2996 C CG2 . VAL A 1 469 ? 21.268 21.003 20.651 1.00 12.83 ? 551 VAL A CG2 1 ATOM 2997 N N . TYR A 1 470 ? 17.276 23.505 21.078 1.00 26.18 ? 552 TYR A N 1 ATOM 2998 C CA . TYR A 1 470 ? 15.831 23.558 21.292 1.00 35.17 ? 552 TYR A CA 1 ATOM 2999 C C . TYR A 1 470 ? 15.033 23.493 19.989 1.00 30.66 ? 552 TYR A C 1 ATOM 3000 O O . TYR A 1 470 ? 14.116 22.683 19.857 1.00 18.35 ? 552 TYR A O 1 ATOM 3001 C CB . TYR A 1 470 ? 15.454 24.820 22.072 1.00 36.50 ? 552 TYR A CB 1 ATOM 3002 C CG . TYR A 1 470 ? 13.965 25.016 22.228 1.00 31.56 ? 552 TYR A CG 1 ATOM 3003 C CD1 . TYR A 1 470 ? 13.239 24.256 23.134 1.00 26.50 ? 552 TYR A CD1 1 ATOM 3004 C CD2 . TYR A 1 470 ? 13.285 25.961 21.471 1.00 37.58 ? 552 TYR A CD2 1 ATOM 3005 C CE1 . TYR A 1 470 ? 11.880 24.429 23.281 1.00 27.40 ? 552 TYR A CE1 1 ATOM 3006 C CE2 . TYR A 1 470 ? 11.924 26.141 21.612 1.00 37.48 ? 552 TYR A CE2 1 ATOM 3007 C CZ . TYR A 1 470 ? 11.227 25.372 22.519 1.00 33.47 ? 552 TYR A CZ 1 ATOM 3008 O OH . TYR A 1 470 ? 9.872 25.543 22.667 1.00 40.67 ? 552 TYR A OH 1 ATOM 3009 N N . ASN A 1 471 ? 15.388 24.346 19.032 1.00 11.38 ? 553 ASN A N 1 ATOM 3010 C CA . ASN A 1 471 ? 14.735 24.344 17.726 1.00 11.17 ? 553 ASN A CA 1 ATOM 3011 C C . ASN A 1 471 ? 14.987 23.048 16.965 1.00 28.76 ? 553 ASN A C 1 ATOM 3012 O O . ASN A 1 471 ? 14.124 22.576 16.224 1.00 33.22 ? 553 ASN A O 1 ATOM 3013 C CB . ASN A 1 471 ? 15.196 25.536 16.888 1.00 22.17 ? 553 ASN A CB 1 ATOM 3014 C CG . ASN A 1 471 ? 14.782 26.863 17.489 1.00 27.30 ? 553 ASN A CG 1 ATOM 3015 O OD1 . ASN A 1 471 ? 13.790 26.942 18.213 1.00 31.67 ? 553 ASN A OD1 1 ATOM 3016 N ND2 . ASN A 1 471 ? 15.535 27.915 17.188 1.00 27.33 ? 553 ASN A ND2 1 ATOM 3017 N N . LEU A 1 472 ? 16.175 22.481 17.153 1.00 27.26 ? 554 LEU A N 1 ATOM 3018 C CA . LEU A 1 472 ? 16.545 21.228 16.506 1.00 9.60 ? 554 LEU A CA 1 ATOM 3019 C C . LEU A 1 472 ? 15.617 20.104 16.938 1.00 33.83 ? 554 LEU A C 1 ATOM 3020 O O . LEU A 1 472 ? 15.172 19.303 16.116 1.00 41.48 ? 554 LEU A O 1 ATOM 3021 C CB . LEU A 1 472 ? 17.993 20.861 16.834 1.00 25.21 ? 554 LEU A CB 1 ATOM 3022 C CG . LEU A 1 472 ? 18.477 19.491 16.351 1.00 23.23 ? 554 LEU A CG 1 ATOM 3023 C CD1 . LEU A 1 472 ? 18.466 19.423 14.835 1.00 31.45 ? 554 LEU A CD1 1 ATOM 3024 C CD2 . LEU A 1 472 ? 19.867 19.184 16.891 1.00 25.08 ? 554 LEU A CD2 1 HETATM 3025 N N . MSE A 1 473 ? 15.318 20.059 18.231 1.00 32.98 ? 555 MSE A N 1 HETATM 3026 C CA . MSE A 1 473 ? 14.436 19.035 18.777 1.00 40.46 ? 555 MSE A CA 1 HETATM 3027 C C . MSE A 1 473 ? 12.996 19.241 18.340 1.00 42.47 ? 555 MSE A C 1 HETATM 3028 O O . MSE A 1 473 ? 12.254 18.277 18.152 1.00 41.66 ? 555 MSE A O 1 HETATM 3029 C CB . MSE A 1 473 ? 14.527 19.012 20.299 1.00 38.85 ? 555 MSE A CB 1 HETATM 3030 C CG . MSE A 1 473 ? 15.857 18.504 20.793 1.00 41.07 ? 555 MSE A CG 1 HETATM 3031 SE SE . MSE A 1 473 ? 16.023 18.478 22.722 1.00 62.39 ? 555 MSE A SE 1 HETATM 3032 C CE . MSE A 1 473 ? 17.598 17.355 22.781 1.00 32.61 ? 555 MSE A CE 1 ATOM 3033 N N . CYS A 1 474 ? 12.606 20.500 18.182 1.00 36.63 ? 556 CYS A N 1 ATOM 3034 C CA . CYS A 1 474 ? 11.267 20.820 17.715 1.00 40.99 ? 556 CYS A CA 1 ATOM 3035 C C . CYS A 1 474 ? 11.059 20.263 16.312 1.00 47.07 ? 556 CYS A C 1 ATOM 3036 O O . CYS A 1 474 ? 9.976 19.781 15.979 1.00 54.07 ? 556 CYS A O 1 ATOM 3037 C CB . CYS A 1 474 ? 11.034 22.330 17.728 1.00 37.67 ? 556 CYS A CB 1 ATOM 3038 S SG . CYS A 1 474 ? 10.977 23.043 19.383 1.00 47.60 ? 556 CYS A SG 1 ATOM 3039 N N . ASP A 1 475 ? 12.104 20.334 15.492 1.00 39.66 ? 557 ASP A N 1 ATOM 3040 C CA . ASP A 1 475 ? 12.042 19.807 14.134 1.00 34.27 ? 557 ASP A CA 1 ATOM 3041 C C . ASP A 1 475 ? 12.024 18.283 14.138 1.00 36.53 ? 557 ASP A C 1 ATOM 3042 O O . ASP A 1 475 ? 11.462 17.657 13.239 1.00 48.02 ? 557 ASP A O 1 ATOM 3043 C CB . ASP A 1 475 ? 13.216 20.321 13.297 1.00 35.94 ? 557 ASP A CB 1 ATOM 3044 C CG . ASP A 1 475 ? 13.170 21.823 13.087 1.00 41.62 ? 557 ASP A CG 1 ATOM 3045 O OD1 . ASP A 1 475 ? 12.066 22.403 13.174 1.00 42.29 ? 557 ASP A OD1 1 ATOM 3046 O OD2 . ASP A 1 475 ? 14.238 22.422 12.832 1.00 41.07 ? 557 ASP A OD2 1 ATOM 3047 N N . LEU A 1 476 ? 12.642 17.692 15.157 1.00 35.42 ? 558 LEU A N 1 ATOM 3048 C CA . LEU A 1 476 ? 12.693 16.239 15.280 1.00 39.61 ? 558 LEU A CA 1 ATOM 3049 C C . LEU A 1 476 ? 11.395 15.680 15.855 1.00 46.66 ? 558 LEU A C 1 ATOM 3050 O O . LEU A 1 476 ? 11.078 14.506 15.667 1.00 49.46 ? 558 LEU A O 1 ATOM 3051 C CB . LEU A 1 476 ? 13.877 15.808 16.151 1.00 32.09 ? 558 LEU A CB 1 ATOM 3052 C CG . LEU A 1 476 ? 15.276 16.130 15.619 1.00 23.87 ? 558 LEU A CG 1 ATOM 3053 C CD1 . LEU A 1 476 ? 16.348 15.588 16.552 1.00 12.97 ? 558 LEU A CD1 1 ATOM 3054 C CD2 . LEU A 1 476 ? 15.459 15.584 14.213 1.00 34.17 ? 558 LEU A CD2 1 ATOM 3055 N N . LEU A 1 477 ? 10.649 16.526 16.557 1.00 47.94 ? 559 LEU A N 1 ATOM 3056 C CA . LEU A 1 477 ? 9.398 16.101 17.174 1.00 49.41 ? 559 LEU A CA 1 ATOM 3057 C C . LEU A 1 477 ? 8.193 16.688 16.444 1.00 47.20 ? 559 LEU A C 1 ATOM 3058 O O . LEU A 1 477 ? 7.048 16.440 16.818 1.00 40.33 ? 559 LEU A O 1 ATOM 3059 C CB . LEU A 1 477 ? 9.368 16.509 18.650 1.00 46.47 ? 559 LEU A CB 1 ATOM 3060 C CG . LEU A 1 477 ? 10.453 15.914 19.551 1.00 30.78 ? 559 LEU A CG 1 ATOM 3061 C CD1 . LEU A 1 477 ? 10.375 16.508 20.948 1.00 23.27 ? 559 LEU A CD1 1 ATOM 3062 C CD2 . LEU A 1 477 ? 10.342 14.399 19.603 1.00 23.46 ? 559 LEU A CD2 1 ATOM 3063 N N . GLY A 1 478 ? 8.465 17.464 15.399 1.00 49.09 ? 560 GLY A N 1 ATOM 3064 C CA . GLY A 1 478 ? 7.422 18.103 14.616 1.00 45.00 ? 560 GLY A CA 1 ATOM 3065 C C . GLY A 1 478 ? 6.644 19.127 15.420 1.00 36.79 ? 560 GLY A C 1 ATOM 3066 O O . GLY A 1 478 ? 5.413 19.143 15.399 1.00 28.99 ? 560 GLY A O 1 ATOM 3067 N N . LEU A 1 479 ? 7.365 19.983 16.135 1.00 33.58 ? 561 LEU A N 1 ATOM 3068 C CA . LEU A 1 479 ? 6.738 20.969 17.004 1.00 36.69 ? 561 LEU A CA 1 ATOM 3069 C C . LEU A 1 479 ? 7.033 22.401 16.571 1.00 30.43 ? 561 LEU A C 1 ATOM 3070 O O . LEU A 1 479 ? 8.120 22.697 16.075 1.00 23.85 ? 561 LEU A O 1 ATOM 3071 C CB . LEU A 1 479 ? 7.214 20.772 18.444 1.00 41.94 ? 561 LEU A CB 1 ATOM 3072 C CG . LEU A 1 479 ? 7.013 19.378 19.039 1.00 42.57 ? 561 LEU A CG 1 ATOM 3073 C CD1 . LEU A 1 479 ? 7.635 19.296 20.424 1.00 42.41 ? 561 LEU A CD1 1 ATOM 3074 C CD2 . LEU A 1 479 ? 5.535 19.023 19.091 1.00 43.36 ? 561 LEU A CD2 1 ATOM 3075 N N . ILE A 1 480 ? 6.059 23.287 16.760 1.00 25.79 ? 562 ILE A N 1 ATOM 3076 C CA . ILE A 1 480 ? 6.297 24.711 16.574 1.00 27.55 ? 562 ILE A CA 1 ATOM 3077 C C . ILE A 1 480 ? 6.994 25.228 17.823 1.00 32.33 ? 562 ILE A C 1 ATOM 3078 O O . ILE A 1 480 ? 6.410 25.235 18.907 1.00 38.04 ? 562 ILE A O 1 ATOM 3079 C CB . ILE A 1 480 ? 4.994 25.505 16.357 1.00 27.20 ? 562 ILE A CB 1 ATOM 3080 C CG1 . ILE A 1 480 ? 4.276 25.036 15.088 1.00 26.72 ? 562 ILE A CG1 1 ATOM 3081 C CG2 . ILE A 1 480 ? 5.298 26.987 16.229 1.00 16.17 ? 562 ILE A CG2 1 ATOM 3082 C CD1 . ILE A 1 480 ? 3.231 23.966 15.316 1.00 33.73 ? 562 ILE A CD1 1 ATOM 3083 N N . PRO A 1 481 ? 8.249 25.671 17.673 1.00 30.46 ? 563 PRO A N 1 ATOM 3084 C CA . PRO A 1 481 ? 9.083 26.083 18.806 1.00 34.79 ? 563 PRO A CA 1 ATOM 3085 C C . PRO A 1 481 ? 8.562 27.338 19.492 1.00 33.97 ? 563 PRO A C 1 ATOM 3086 O O . PRO A 1 481 ? 8.049 28.240 18.829 1.00 31.60 ? 563 PRO A O 1 ATOM 3087 C CB . PRO A 1 481 ? 10.439 26.366 18.154 1.00 32.12 ? 563 PRO A CB 1 ATOM 3088 C CG . PRO A 1 481 ? 10.111 26.725 16.750 1.00 32.18 ? 563 PRO A CG 1 ATOM 3089 C CD . PRO A 1 481 ? 8.933 25.869 16.383 1.00 29.66 ? 563 PRO A CD 1 ATOM 3090 N N . ALA A 1 482 ? 8.691 27.388 20.813 1.00 30.10 ? 564 ALA A N 1 ATOM 3091 C CA . ALA A 1 482 ? 8.367 28.596 21.553 1.00 26.60 ? 564 ALA A CA 1 ATOM 3092 C C . ALA A 1 482 ? 9.426 29.644 21.232 1.00 31.98 ? 564 ALA A C 1 ATOM 3093 O O . ALA A 1 482 ? 10.535 29.295 20.823 1.00 34.63 ? 564 ALA A O 1 ATOM 3094 C CB . ALA A 1 482 ? 8.331 28.301 23.048 1.00 17.58 ? 564 ALA A CB 1 ATOM 3095 N N . PRO A 1 483 ? 9.090 30.932 21.411 1.00 29.68 ? 565 PRO A N 1 ATOM 3096 C CA . PRO A 1 483 ? 10.056 32.009 21.161 1.00 27.27 ? 565 PRO A CA 1 ATOM 3097 C C . PRO A 1 483 ? 11.332 31.843 21.980 1.00 27.59 ? 565 PRO A C 1 ATOM 3098 O O . PRO A 1 483 ? 11.313 32.034 23.195 1.00 31.20 ? 565 PRO A O 1 ATOM 3099 C CB . PRO A 1 483 ? 9.303 33.260 21.618 1.00 25.19 ? 565 PRO A CB 1 ATOM 3100 C CG . PRO A 1 483 ? 7.870 32.919 21.429 1.00 24.95 ? 565 PRO A CG 1 ATOM 3101 C CD . PRO A 1 483 ? 7.754 31.458 21.746 1.00 31.43 ? 565 PRO A CD 1 ATOM 3102 N N . ASN A 1 484 ? 12.426 31.483 21.317 1.00 24.46 ? 566 ASN A N 1 ATOM 3103 C CA . ASN A 1 484 ? 13.703 31.315 21.999 1.00 28.43 ? 566 ASN A CA 1 ATOM 3104 C C . ASN A 1 484 ? 14.803 32.211 21.437 1.00 28.10 ? 566 ASN A C 1 ATOM 3105 O O . ASN A 1 484 ? 14.541 33.081 20.609 1.00 29.93 ? 566 ASN A O 1 ATOM 3106 C CB . ASN A 1 484 ? 14.150 29.850 21.975 1.00 33.10 ? 566 ASN A CB 1 ATOM 3107 C CG . ASN A 1 484 ? 14.346 29.323 20.568 1.00 34.16 ? 566 ASN A CG 1 ATOM 3108 O OD1 . ASN A 1 484 ? 13.589 29.657 19.657 1.00 43.18 ? 566 ASN A OD1 1 ATOM 3109 N ND2 . ASN A 1 484 ? 15.367 28.493 20.384 1.00 33.81 ? 566 ASN A ND2 1 ATOM 3110 N N . ASN A 1 485 ? 16.031 31.996 21.896 1.00 30.07 ? 567 ASN A N 1 ATOM 3111 C CA . ASN A 1 485 ? 17.158 32.829 21.493 1.00 29.06 ? 567 ASN A CA 1 ATOM 3112 C C . ASN A 1 485 ? 18.008 32.213 20.388 1.00 35.44 ? 567 ASN A C 1 ATOM 3113 O O . ASN A 1 485 ? 18.969 32.822 19.924 1.00 43.80 ? 567 ASN A O 1 ATOM 3114 C CB . ASN A 1 485 ? 18.034 33.159 22.702 1.00 25.16 ? 567 ASN A CB 1 ATOM 3115 C CG . ASN A 1 485 ? 17.340 34.072 23.690 1.00 25.13 ? 567 ASN A CG 1 ATOM 3116 O OD1 . ASN A 1 485 ? 17.231 33.759 24.876 1.00 20.31 ? 567 ASN A OD1 1 ATOM 3117 N ND2 . ASN A 1 485 ? 16.877 35.218 23.204 1.00 34.92 ? 567 ASN A ND2 1 ATOM 3118 N N . GLY A 1 486 ? 17.661 31.002 19.971 1.00 34.99 ? 568 GLY A N 1 ATOM 3119 C CA . GLY A 1 486 ? 18.407 30.336 18.922 1.00 35.27 ? 568 GLY A CA 1 ATOM 3120 C C . GLY A 1 486 ? 17.918 30.728 17.541 1.00 33.62 ? 568 GLY A C 1 ATOM 3121 O O . GLY A 1 486 ? 16.717 30.873 17.309 1.00 32.96 ? 568 GLY A O 1 ATOM 3122 N N . SER A 1 487 ? 18.856 30.903 16.617 1.00 31.38 ? 569 SER A N 1 ATOM 3123 C CA . SER A 1 487 ? 18.518 31.217 15.235 1.00 28.63 ? 569 SER A CA 1 ATOM 3124 C C . SER A 1 487 ? 17.961 29.979 14.546 1.00 26.64 ? 569 SER A C 1 ATOM 3125 O O . SER A 1 487 ? 18.708 29.069 14.188 1.00 10.69 ? 569 SER A O 1 ATOM 3126 C CB . SER A 1 487 ? 19.751 31.723 14.488 1.00 28.41 ? 569 SER A CB 1 ATOM 3127 O OG . SER A 1 487 ? 20.332 32.830 15.152 1.00 28.74 ? 569 SER A OG 1 ATOM 3128 N N . HIS A 1 488 ? 16.644 29.949 14.372 1.00 32.48 ? 570 HIS A N 1 ATOM 3129 C CA . HIS A 1 488 ? 15.969 28.771 13.842 1.00 39.35 ? 570 HIS A CA 1 ATOM 3130 C C . HIS A 1 488 ? 16.408 28.463 12.413 1.00 35.30 ? 570 HIS A C 1 ATOM 3131 O O . HIS A 1 488 ? 16.219 29.276 11.509 1.00 40.03 ? 570 HIS A O 1 ATOM 3132 C CB . HIS A 1 488 ? 14.450 28.948 13.906 1.00 46.19 ? 570 HIS A CB 1 ATOM 3133 C CG . HIS A 1 488 ? 13.682 27.685 13.674 1.00 43.38 ? 570 HIS A CG 1 ATOM 3134 N ND1 . HIS A 1 488 ? 12.313 27.666 13.511 1.00 40.14 ? 570 HIS A ND1 1 ATOM 3135 C CD2 . HIS A 1 488 ? 14.089 26.397 13.586 1.00 38.61 ? 570 HIS A CD2 1 ATOM 3136 C CE1 . HIS A 1 488 ? 11.912 26.421 13.325 1.00 30.99 ? 570 HIS A CE1 1 ATOM 3137 N NE2 . HIS A 1 488 ? 12.970 25.632 13.367 1.00 29.59 ? 570 HIS A NE2 1 ATOM 3138 N N . GLY A 1 489 ? 16.988 27.283 12.217 1.00 31.05 ? 571 GLY A N 1 ATOM 3139 C CA . GLY A 1 489 ? 17.418 26.855 10.898 1.00 33.01 ? 571 GLY A CA 1 ATOM 3140 C C . GLY A 1 489 ? 18.925 26.857 10.712 1.00 24.53 ? 571 GLY A C 1 ATOM 3141 O O . GLY A 1 489 ? 19.430 26.425 9.677 1.00 14.14 ? 571 GLY A O 1 ATOM 3142 N N . SER A 1 490 ? 19.645 27.347 11.717 1.00 19.77 ? 572 SER A N 1 ATOM 3143 C CA . SER A 1 490 ? 21.097 27.460 11.636 1.00 17.31 ? 572 SER A CA 1 ATOM 3144 C C . SER A 1 490 ? 21.797 26.106 11.737 1.00 23.34 ? 572 SER A C 1 ATOM 3145 O O . SER A 1 490 ? 22.972 25.979 11.392 1.00 40.66 ? 572 SER A O 1 ATOM 3146 C CB . SER A 1 490 ? 21.624 28.398 12.724 1.00 22.32 ? 572 SER A CB 1 ATOM 3147 O OG . SER A 1 490 ? 21.366 27.875 14.016 1.00 22.36 ? 572 SER A OG 1 ATOM 3148 N N . LEU A 1 491 ? 21.072 25.099 12.211 1.00 19.76 ? 573 LEU A N 1 ATOM 3149 C CA . LEU A 1 491 ? 21.621 23.752 12.344 1.00 30.70 ? 573 LEU A CA 1 ATOM 3150 C C . LEU A 1 491 ? 21.106 22.800 11.267 1.00 35.50 ? 573 LEU A C 1 ATOM 3151 O O . LEU A 1 491 ? 21.164 21.581 11.435 1.00 35.71 ? 573 LEU A O 1 ATOM 3152 C CB . LEU A 1 491 ? 21.324 23.172 13.732 1.00 30.28 ? 573 LEU A CB 1 ATOM 3153 C CG . LEU A 1 491 ? 22.006 23.833 14.932 1.00 24.51 ? 573 LEU A CG 1 ATOM 3154 C CD1 . LEU A 1 491 ? 21.756 23.029 16.197 1.00 16.12 ? 573 LEU A CD1 1 ATOM 3155 C CD2 . LEU A 1 491 ? 23.499 23.990 14.683 1.00 25.02 ? 573 LEU A CD2 1 ATOM 3156 N N . ASN A 1 492 ? 20.596 23.357 10.171 1.00 35.74 ? 574 ASN A N 1 ATOM 3157 C CA . ASN A 1 492 ? 20.068 22.550 9.073 1.00 22.00 ? 574 ASN A CA 1 ATOM 3158 C C . ASN A 1 492 ? 21.105 21.619 8.449 1.00 31.74 ? 574 ASN A C 1 ATOM 3159 O O . ASN A 1 492 ? 20.757 20.592 7.864 1.00 37.99 ? 574 ASN A O 1 ATOM 3160 C CB . ASN A 1 492 ? 19.461 23.437 7.986 1.00 13.36 ? 574 ASN A CB 1 ATOM 3161 C CG . ASN A 1 492 ? 18.054 23.892 8.322 1.00 21.56 ? 574 ASN A CG 1 ATOM 3162 O OD1 . ASN A 1 492 ? 17.469 23.454 9.312 1.00 8.53 ? 574 ASN A OD1 1 ATOM 3163 N ND2 . ASN A 1 492 ? 17.504 24.775 7.496 1.00 26.83 ? 574 ASN A ND2 1 ATOM 3164 N N . HIS A 1 493 ? 22.377 21.984 8.571 1.00 37.01 ? 575 HIS A N 1 ATOM 3165 C CA . HIS A 1 493 ? 23.463 21.210 7.978 1.00 27.21 ? 575 HIS A CA 1 ATOM 3166 C C . HIS A 1 493 ? 23.706 19.894 8.725 1.00 19.21 ? 575 HIS A C 1 ATOM 3167 O O . HIS A 1 493 ? 24.462 19.039 8.264 1.00 16.82 ? 575 HIS A O 1 ATOM 3168 C CB . HIS A 1 493 ? 24.747 22.052 7.894 1.00 22.84 ? 575 HIS A CB 1 ATOM 3169 C CG . HIS A 1 493 ? 25.216 22.599 9.209 1.00 34.21 ? 575 HIS A CG 1 ATOM 3170 N ND1 . HIS A 1 493 ? 24.456 23.456 9.975 1.00 45.66 ? 575 HIS A ND1 1 ATOM 3171 C CD2 . HIS A 1 493 ? 26.378 22.425 9.882 1.00 26.49 ? 575 HIS A CD2 1 ATOM 3172 C CE1 . HIS A 1 493 ? 25.126 23.782 11.066 1.00 33.41 ? 575 HIS A CE1 1 ATOM 3173 N NE2 . HIS A 1 493 ? 26.294 23.166 11.036 1.00 21.47 ? 575 HIS A NE2 1 ATOM 3174 N N . LEU A 1 494 ? 23.062 19.743 9.877 1.00 20.48 ? 576 LEU A N 1 ATOM 3175 C CA . LEU A 1 494 ? 23.181 18.530 10.683 1.00 23.13 ? 576 LEU A CA 1 ATOM 3176 C C . LEU A 1 494 ? 22.214 17.449 10.208 1.00 24.54 ? 576 LEU A C 1 ATOM 3177 O O . LEU A 1 494 ? 22.474 16.255 10.363 1.00 20.11 ? 576 LEU A O 1 ATOM 3178 C CB . LEU A 1 494 ? 22.905 18.838 12.160 1.00 25.27 ? 576 LEU A CB 1 ATOM 3179 C CG . LEU A 1 494 ? 24.002 19.465 13.027 1.00 27.29 ? 576 LEU A CG 1 ATOM 3180 C CD1 . LEU A 1 494 ? 24.366 20.864 12.569 1.00 38.14 ? 576 LEU A CD1 1 ATOM 3181 C CD2 . LEU A 1 494 ? 23.588 19.468 14.494 1.00 23.34 ? 576 LEU A CD2 1 ATOM 3182 N N . LEU A 1 495 ? 21.095 17.878 9.632 1.00 22.54 ? 577 LEU A N 1 ATOM 3183 C CA . LEU A 1 495 ? 20.008 16.972 9.271 1.00 29.74 ? 577 LEU A CA 1 ATOM 3184 C C . LEU A 1 495 ? 20.141 16.470 7.839 1.00 42.82 ? 577 LEU A C 1 ATOM 3185 O O . LEU A 1 495 ? 20.653 17.179 6.975 1.00 45.49 ? 577 LEU A O 1 ATOM 3186 C CB . LEU A 1 495 ? 18.658 17.670 9.443 1.00 23.11 ? 577 LEU A CB 1 ATOM 3187 C CG . LEU A 1 495 ? 18.353 18.270 10.817 1.00 20.87 ? 577 LEU A CG 1 ATOM 3188 C CD1 . LEU A 1 495 ? 17.043 19.041 10.785 1.00 10.52 ? 577 LEU A CD1 1 ATOM 3189 C CD2 . LEU A 1 495 ? 18.308 17.182 11.879 1.00 16.88 ? 577 LEU A CD2 1 ATOM 3190 N N . LYS A 1 496 ? 19.681 15.246 7.589 1.00 46.50 ? 578 LYS A N 1 ATOM 3191 C CA . LYS A 1 496 ? 19.633 14.733 6.225 1.00 39.68 ? 578 LYS A CA 1 ATOM 3192 C C . LYS A 1 496 ? 18.621 15.547 5.440 1.00 37.90 ? 578 LYS A C 1 ATOM 3193 O O . LYS A 1 496 ? 18.937 16.123 4.400 1.00 37.55 ? 578 LYS A O 1 ATOM 3194 C CB . LYS A 1 496 ? 19.238 13.255 6.192 1.00 24.49 ? 578 LYS A CB 1 ATOM 3195 C CG . LYS A 1 496 ? 20.229 12.293 6.828 1.00 24.43 ? 578 LYS A CG 1 ATOM 3196 C CD . LYS A 1 496 ? 19.913 10.860 6.427 1.00 17.90 ? 578 LYS A CD 1 ATOM 3197 C CE . LYS A 1 496 ? 20.843 9.869 7.102 1.00 21.13 ? 578 LYS A CE 1 ATOM 3198 N NZ . LYS A 1 496 ? 20.577 9.764 8.562 1.00 28.09 ? 578 LYS A NZ 1 ATOM 3199 N N . LYS A 1 497 ? 17.394 15.585 5.946 1.00 36.34 ? 579 LYS A N 1 ATOM 3200 C CA . LYS A 1 497 ? 16.333 16.353 5.318 1.00 41.79 ? 579 LYS A CA 1 ATOM 3201 C C . LYS A 1 497 ? 15.840 17.401 6.313 1.00 43.58 ? 579 LYS A C 1 ATOM 3202 O O . LYS A 1 497 ? 15.022 17.099 7.179 1.00 48.63 ? 579 LYS A O 1 ATOM 3203 C CB . LYS A 1 497 ? 15.187 15.443 4.877 1.00 47.72 ? 579 LYS A CB 1 ATOM 3204 C CG . LYS A 1 497 ? 14.271 16.086 3.845 1.00 60.91 ? 579 LYS A CG 1 ATOM 3205 C CD . LYS A 1 497 ? 13.017 15.271 3.599 1.00 68.72 ? 579 LYS A CD 1 ATOM 3206 C CE . LYS A 1 497 ? 12.484 15.513 2.197 1.00 75.76 ? 579 LYS A CE 1 ATOM 3207 N NZ . LYS A 1 497 ? 11.418 14.537 1.842 1.00 81.31 ? 579 LYS A NZ 1 ATOM 3208 N N . PRO A 1 498 ? 16.355 18.635 6.195 1.00 35.59 ? 580 PRO A N 1 ATOM 3209 C CA . PRO A 1 498 ? 15.966 19.748 7.066 1.00 28.85 ? 580 PRO A CA 1 ATOM 3210 C C . PRO A 1 498 ? 14.466 20.006 6.997 1.00 23.30 ? 580 PRO A C 1 ATOM 3211 O O . PRO A 1 498 ? 13.876 19.959 5.918 1.00 29.37 ? 580 PRO A O 1 ATOM 3212 C CB . PRO A 1 498 ? 16.739 20.934 6.483 1.00 31.57 ? 580 PRO A CB 1 ATOM 3213 C CG . PRO A 1 498 ? 17.919 20.316 5.817 1.00 34.82 ? 580 PRO A CG 1 ATOM 3214 C CD . PRO A 1 498 ? 17.418 19.021 5.250 1.00 37.51 ? 580 PRO A CD 1 ATOM 3215 N N . ILE A 1 499 ? 13.863 20.276 8.150 1.00 17.74 ? 581 ILE A N 1 ATOM 3216 C CA . ILE A 1 499 ? 12.425 20.490 8.240 1.00 26.61 ? 581 ILE A CA 1 ATOM 3217 C C . ILE A 1 499 ? 12.050 21.952 8.021 1.00 11.97 ? 581 ILE A C 1 ATOM 3218 O O . ILE A 1 499 ? 11.122 22.254 7.274 1.00 25.95 ? 581 ILE A O 1 ATOM 3219 C CB . ILE A 1 499 ? 11.871 20.013 9.605 1.00 35.09 ? 581 ILE A CB 1 ATOM 3220 C CG1 . ILE A 1 499 ? 11.871 18.484 9.692 1.00 53.41 ? 581 ILE A CG1 1 ATOM 3221 C CG2 . ILE A 1 499 ? 10.463 20.535 9.832 1.00 29.70 ? 581 ILE A CG2 1 ATOM 3222 C CD1 . ILE A 1 499 ? 13.192 17.874 10.138 1.00 63.16 ? 581 ILE A CD1 1 ATOM 3223 N N . TYR A 1 500 ? 12.781 22.859 8.661 1.00 34.70 ? 582 TYR A N 1 ATOM 3224 C CA . TYR A 1 500 ? 12.478 24.283 8.561 1.00 25.59 ? 582 TYR A CA 1 ATOM 3225 C C . TYR A 1 500 ? 13.477 25.023 7.676 1.00 24.16 ? 582 TYR A C 1 ATOM 3226 O O . TYR A 1 500 ? 14.687 24.932 7.878 1.00 20.87 ? 582 TYR A O 1 ATOM 3227 C CB . TYR A 1 500 ? 12.440 24.912 9.955 1.00 26.38 ? 582 TYR A CB 1 ATOM 3228 C CG . TYR A 1 500 ? 12.140 26.394 9.954 1.00 29.67 ? 582 TYR A CG 1 ATOM 3229 C CD1 . TYR A 1 500 ? 10.845 26.858 9.773 1.00 33.01 ? 582 TYR A CD1 1 ATOM 3230 C CD2 . TYR A 1 500 ? 13.151 27.329 10.136 1.00 23.07 ? 582 TYR A CD2 1 ATOM 3231 C CE1 . TYR A 1 500 ? 10.564 28.211 9.770 1.00 37.97 ? 582 TYR A CE1 1 ATOM 3232 C CE2 . TYR A 1 500 ? 12.879 28.685 10.134 1.00 29.08 ? 582 TYR A CE2 1 ATOM 3233 C CZ . TYR A 1 500 ? 11.584 29.120 9.951 1.00 36.23 ? 582 TYR A CZ 1 ATOM 3234 O OH . TYR A 1 500 ? 11.309 30.468 9.949 1.00 35.17 ? 582 TYR A OH 1 ATOM 3235 N N . ASN A 1 501 ? 12.958 25.756 6.695 1.00 32.69 ? 583 ASN A N 1 ATOM 3236 C CA . ASN A 1 501 ? 13.788 26.568 5.811 1.00 28.58 ? 583 ASN A CA 1 ATOM 3237 C C . ASN A 1 501 ? 13.678 28.058 6.125 1.00 28.91 ? 583 ASN A C 1 ATOM 3238 O O . ASN A 1 501 ? 12.684 28.696 5.781 1.00 33.64 ? 583 ASN A O 1 ATOM 3239 C CB . ASN A 1 501 ? 13.422 26.312 4.348 1.00 32.45 ? 583 ASN A CB 1 ATOM 3240 C CG . ASN A 1 501 ? 13.728 24.891 3.910 1.00 48.23 ? 583 ASN A CG 1 ATOM 3241 O OD1 . ASN A 1 501 ? 12.835 24.150 3.498 1.00 58.45 ? 583 ASN A OD1 1 ATOM 3242 N ND2 . ASN A 1 501 ? 14.996 24.505 3.995 1.00 43.21 ? 583 ASN A ND2 1 ATOM 3243 N N . PRO A 1 502 ? 14.707 28.614 6.785 1.00 29.79 ? 584 PRO A N 1 ATOM 3244 C CA . PRO A 1 502 ? 14.721 29.995 7.284 1.00 22.21 ? 584 PRO A CA 1 ATOM 3245 C C . PRO A 1 502 ? 14.762 31.048 6.177 1.00 24.87 ? 584 PRO A C 1 ATOM 3246 O O . PRO A 1 502 ? 15.157 30.754 5.048 1.00 14.00 ? 584 PRO A O 1 ATOM 3247 C CB . PRO A 1 502 ? 16.016 30.051 8.098 1.00 27.39 ? 584 PRO A CB 1 ATOM 3248 C CG . PRO A 1 502 ? 16.896 29.031 7.465 1.00 32.75 ? 584 PRO A CG 1 ATOM 3249 C CD . PRO A 1 502 ? 15.980 27.919 7.047 1.00 28.07 ? 584 PRO A CD 1 ATOM 3250 N N . SER A 1 503 ? 14.351 32.267 6.515 1.00 31.72 ? 585 SER A N 1 ATOM 3251 C CA . SER A 1 503 ? 14.384 33.391 5.583 1.00 27.59 ? 585 SER A CA 1 ATOM 3252 C C . SER A 1 503 ? 14.993 34.623 6.249 1.00 27.43 ? 585 SER A C 1 ATOM 3253 O O . SER A 1 503 ? 15.067 34.700 7.476 1.00 28.24 ? 585 SER A O 1 ATOM 3254 C CB . SER A 1 503 ? 12.974 33.716 5.090 1.00 18.03 ? 585 SER A CB 1 ATOM 3255 O OG . SER A 1 503 ? 12.394 32.603 4.434 1.00 28.35 ? 585 SER A OG 1 ATOM 3256 N N . HIS A 1 504 ? 15.431 35.583 5.440 1.00 26.88 ? 586 HIS A N 1 ATOM 3257 C CA . HIS A 1 504 ? 15.969 36.833 5.970 1.00 19.87 ? 586 HIS A CA 1 ATOM 3258 C C . HIS A 1 504 ? 14.864 37.729 6.521 1.00 23.91 ? 586 HIS A C 1 ATOM 3259 O O . HIS A 1 504 ? 13.762 37.766 5.975 1.00 28.65 ? 586 HIS A O 1 ATOM 3260 C CB . HIS A 1 504 ? 16.758 37.584 4.891 1.00 16.23 ? 586 HIS A CB 1 ATOM 3261 C CG . HIS A 1 504 ? 18.121 37.023 4.633 1.00 26.54 ? 586 HIS A CG 1 ATOM 3262 N ND1 . HIS A 1 504 ? 19.147 37.115 5.549 1.00 33.29 ? 586 HIS A ND1 1 ATOM 3263 C CD2 . HIS A 1 504 ? 18.631 36.373 3.561 1.00 35.55 ? 586 HIS A CD2 1 ATOM 3264 C CE1 . HIS A 1 504 ? 20.229 36.541 5.054 1.00 37.94 ? 586 HIS A CE1 1 ATOM 3265 N NE2 . HIS A 1 504 ? 19.943 36.082 3.849 1.00 39.37 ? 586 HIS A NE2 1 ATOM 3266 N N . PRO A 1 505 ? 15.158 38.457 7.611 1.00 25.04 ? 587 PRO A N 1 ATOM 3267 C CA . PRO A 1 505 ? 14.185 39.376 8.209 1.00 27.72 ? 587 PRO A CA 1 ATOM 3268 C C . PRO A 1 505 ? 13.869 40.550 7.286 1.00 32.73 ? 587 PRO A C 1 ATOM 3269 O O . PRO A 1 505 ? 14.785 41.192 6.771 1.00 33.12 ? 587 PRO A O 1 ATOM 3270 C CB . PRO A 1 505 ? 14.906 39.877 9.464 1.00 24.05 ? 587 PRO A CB 1 ATOM 3271 C CG . PRO A 1 505 ? 16.355 39.711 9.161 1.00 20.60 ? 587 PRO A CG 1 ATOM 3272 C CD . PRO A 1 505 ? 16.444 38.469 8.330 1.00 20.41 ? 587 PRO A CD 1 ATOM 3273 N N . LYS A 1 506 ? 12.584 40.819 7.076 1.00 44.50 ? 588 LYS A N 1 ATOM 3274 C CA . LYS A 1 506 ? 12.163 41.928 6.227 1.00 46.19 ? 588 LYS A CA 1 ATOM 3275 C C . LYS A 1 506 ? 12.580 43.271 6.814 1.00 33.70 ? 588 LYS A C 1 ATOM 3276 O O . LYS A 1 506 ? 12.706 43.415 8.029 1.00 41.64 ? 588 LYS A O 1 ATOM 3277 C CB . LYS A 1 506 ? 10.652 41.896 5.997 1.00 54.11 ? 588 LYS A CB 1 ATOM 3278 C CG . LYS A 1 506 ? 10.227 40.975 4.865 1.00 67.32 ? 588 LYS A CG 1 ATOM 3279 C CD . LYS A 1 506 ? 10.973 41.319 3.583 1.00 75.27 ? 588 LYS A CD 1 ATOM 3280 C CE . LYS A 1 506 ? 10.529 40.443 2.422 1.00 84.49 ? 588 LYS A CE 1 ATOM 3281 N NZ . LYS A 1 506 ? 9.104 40.678 2.060 1.00 88.67 ? 588 LYS A NZ 1 ATOM 3282 N N . GLU A 1 507 ? 12.793 44.251 5.944 1.00 27.37 ? 589 GLU A N 1 ATOM 3283 C CA . GLU A 1 507 ? 13.210 45.576 6.381 1.00 32.93 ? 589 GLU A CA 1 ATOM 3284 C C . GLU A 1 507 ? 12.002 46.391 6.831 1.00 39.29 ? 589 GLU A C 1 ATOM 3285 O O . GLU A 1 507 ? 11.141 46.740 6.025 1.00 34.97 ? 589 GLU A O 1 ATOM 3286 C CB . GLU A 1 507 ? 13.959 46.292 5.256 1.00 36.87 ? 589 GLU A CB 1 ATOM 3287 C CG . GLU A 1 507 ? 14.815 47.460 5.715 1.00 45.21 ? 589 GLU A CG 1 ATOM 3288 C CD . GLU A 1 507 ? 15.774 47.939 4.643 1.00 56.94 ? 589 GLU A CD 1 ATOM 3289 O OE1 . GLU A 1 507 ? 15.407 47.892 3.449 1.00 62.39 ? 589 GLU A OE1 1 ATOM 3290 O OE2 . GLU A 1 507 ? 16.895 48.364 4.995 1.00 54.27 ? 589 GLU A OE2 1 ATOM 3291 N N . GLU A 1 508 ? 11.951 46.694 8.124 1.00 46.16 ? 590 GLU A N 1 ATOM 3292 C CA . GLU A 1 508 ? 10.832 47.428 8.703 1.00 58.08 ? 590 GLU A CA 1 ATOM 3293 C C . GLU A 1 508 ? 11.085 48.932 8.699 1.00 62.30 ? 590 GLU A C 1 ATOM 3294 O O . GLU A 1 508 ? 10.175 49.724 8.945 1.00 70.47 ? 590 GLU A O 1 ATOM 3295 C CB . GLU A 1 508 ? 10.554 46.947 10.130 1.00 66.20 ? 590 GLU A CB 1 ATOM 3296 C CG . GLU A 1 508 ? 9.250 46.178 10.294 1.00 78.33 ? 590 GLU A CG 1 ATOM 3297 C CD . GLU A 1 508 ? 9.307 44.785 9.700 1.00 86.24 ? 590 GLU A CD 1 ATOM 3298 O OE1 . GLU A 1 508 ? 10.420 44.226 9.596 1.00 85.18 ? 590 GLU A OE1 1 ATOM 3299 O OE2 . GLU A 1 508 ? 8.239 44.247 9.338 1.00 90.73 ? 590 GLU A OE2 1 ATOM 3300 N N . GLY A 1 509 ? 12.326 49.317 8.420 1.00 53.26 ? 591 GLY A N 1 ATOM 3301 C CA . GLY A 1 509 ? 12.712 50.716 8.425 1.00 50.01 ? 591 GLY A CA 1 ATOM 3302 C C . GLY A 1 509 ? 12.128 51.526 7.286 1.00 51.60 ? 591 GLY A C 1 ATOM 3303 O O . GLY A 1 509 ? 11.996 51.040 6.163 1.00 52.29 ? 591 GLY A O 1 ATOM 3304 N N . PHE A 1 510 ? 11.773 52.772 7.585 1.00 56.82 ? 592 PHE A N 1 ATOM 3305 C CA . PHE A 1 510 ? 11.255 53.691 6.580 1.00 56.16 ? 592 PHE A CA 1 ATOM 3306 C C . PHE A 1 510 ? 12.401 54.370 5.841 1.00 63.34 ? 592 PHE A C 1 ATOM 3307 O O . PHE A 1 510 ? 12.889 55.421 6.260 1.00 65.26 ? 592 PHE A O 1 ATOM 3308 C CB . PHE A 1 510 ? 10.354 54.741 7.231 1.00 45.12 ? 592 PHE A CB 1 ATOM 3309 N N . LEU A 1 511 ? 12.828 53.763 4.739 1.00 60.54 ? 593 LEU A N 1 ATOM 3310 C CA . LEU A 1 511 ? 13.992 54.243 4.005 1.00 57.86 ? 593 LEU A CA 1 ATOM 3311 C C . LEU A 1 511 ? 13.648 55.479 3.184 1.00 57.25 ? 593 LEU A C 1 ATOM 3312 O O . LEU A 1 511 ? 12.825 55.418 2.271 1.00 54.69 ? 593 LEU A O 1 ATOM 3313 C CB . LEU A 1 511 ? 14.550 53.142 3.101 1.00 60.03 ? 593 LEU A CB 1 ATOM 3314 C CG . LEU A 1 511 ? 16.048 53.201 2.791 1.00 57.14 ? 593 LEU A CG 1 ATOM 3315 C CD1 . LEU A 1 511 ? 16.871 52.942 4.043 1.00 44.09 ? 593 LEU A CD1 1 ATOM 3316 C CD2 . LEU A 1 511 ? 16.410 52.212 1.693 1.00 67.63 ? 593 LEU A CD2 1 ATOM 3317 N N . SER A 1 512 ? 14.283 56.599 3.513 1.00 60.93 ? 594 SER A N 1 ATOM 3318 C CA . SER A 1 512 ? 14.061 57.842 2.785 1.00 64.08 ? 594 SER A CA 1 ATOM 3319 C C . SER A 1 512 ? 15.383 58.373 2.247 1.00 76.05 ? 594 SER A C 1 ATOM 3320 O O . SER A 1 512 ? 16.443 57.819 2.533 1.00 80.82 ? 594 SER A O 1 ATOM 3321 C CB . SER A 1 512 ? 13.387 58.884 3.680 1.00 62.24 ? 594 SER A CB 1 ATOM 3322 O OG . SER A 1 512 ? 14.131 59.098 4.867 1.00 62.62 ? 594 SER A OG 1 ATOM 3323 N N . GLN A 1 513 ? 15.316 59.450 1.471 1.00 80.54 ? 595 GLN A N 1 ATOM 3324 C CA . GLN A 1 513 ? 16.514 60.022 0.864 1.00 76.50 ? 595 GLN A CA 1 ATOM 3325 C C . GLN A 1 513 ? 16.815 61.438 1.340 1.00 65.75 ? 595 GLN A C 1 ATOM 3326 O O . GLN A 1 513 ? 15.908 62.219 1.624 1.00 53.83 ? 595 GLN A O 1 ATOM 3327 C CB . GLN A 1 513 ? 16.404 59.989 -0.659 1.00 77.49 ? 595 GLN A CB 1 ATOM 3328 C CG . GLN A 1 513 ? 16.575 58.598 -1.243 1.00 84.24 ? 595 GLN A CG 1 ATOM 3329 C CD . GLN A 1 513 ? 16.455 58.576 -2.751 1.00 90.92 ? 595 GLN A CD 1 ATOM 3330 O OE1 . GLN A 1 513 ? 16.909 57.639 -3.408 1.00 89.37 ? 595 GLN A OE1 1 ATOM 3331 N NE2 . GLN A 1 513 ? 15.836 59.609 -3.311 1.00 97.40 ? 595 GLN A NE2 1 ATOM 3332 N N . CYS A 1 514 ? 18.104 61.747 1.431 1.00 65.60 ? 596 CYS A N 1 ATOM 3333 C CA . CYS A 1 514 ? 18.559 63.038 1.923 1.00 63.12 ? 596 CYS A CA 1 ATOM 3334 C C . CYS A 1 514 ? 19.305 63.799 0.830 1.00 63.11 ? 596 CYS A C 1 ATOM 3335 O O . CYS A 1 514 ? 20.487 63.546 0.587 1.00 60.75 ? 596 CYS A O 1 ATOM 3336 C CB . CYS A 1 514 ? 19.470 62.859 3.137 1.00 62.04 ? 596 CYS A CB 1 ATOM 3337 S SG . CYS A 1 514 ? 18.750 61.864 4.468 1.00 69.16 ? 596 CYS A SG 1 ATOM 3338 N N . PRO A 1 515 ? 18.604 64.717 0.145 1.00 65.50 ? 597 PRO A N 1 ATOM 3339 C CA . PRO A 1 515 ? 19.185 65.568 -0.899 1.00 64.00 ? 597 PRO A CA 1 ATOM 3340 C C . PRO A 1 515 ? 19.774 66.833 -0.287 1.00 67.17 ? 597 PRO A C 1 ATOM 3341 O O . PRO A 1 515 ? 19.683 66.986 0.930 1.00 70.26 ? 597 PRO A O 1 ATOM 3342 C CB . PRO A 1 515 ? 17.979 65.913 -1.765 1.00 64.13 ? 597 PRO A CB 1 ATOM 3343 C CG . PRO A 1 515 ? 16.840 65.953 -0.772 1.00 66.77 ? 597 PRO A CG 1 ATOM 3344 C CD . PRO A 1 515 ? 17.147 64.901 0.265 1.00 65.06 ? 597 PRO A CD 1 ATOM 3345 N N . ILE A 1 516 ? 20.401 67.689 -1.095 1.00 70.11 ? 598 ILE A N 1 ATOM 3346 C CA . ILE A 1 516 ? 20.946 68.968 -0.618 1.00 77.09 ? 598 ILE A CA 1 ATOM 3347 C C . ILE A 1 516 ? 19.861 70.033 -0.355 1.00 98.09 ? 598 ILE A C 1 ATOM 3348 O O . ILE A 1 516 ? 19.240 70.533 -1.319 1.00 107.17 ? 598 ILE A O 1 ATOM 3349 C CB . ILE A 1 516 ? 21.928 69.562 -1.649 1.00 63.91 ? 598 ILE A CB 1 ATOM 3350 C CG1 . ILE A 1 516 ? 22.916 68.497 -2.161 1.00 55.66 ? 598 ILE A CG1 1 ATOM 3351 C CG2 . ILE A 1 516 ? 22.586 70.856 -1.100 1.00 61.56 ? 598 ILE A CG2 1 ATOM 3352 C CD1 . ILE A 1 516 ? 24.007 68.118 -1.200 1.00 56.65 ? 598 ILE A CD1 1 ATOM 3353 N N . LYS A 1 517 ? 19.693 70.453 0.909 1.00 105.13 ? 599 LYS A N 1 ATOM 3354 C CA . LYS A 1 517 ? 18.612 71.385 1.253 1.00 109.66 ? 599 LYS A CA 1 ATOM 3355 C C . LYS A 1 517 ? 18.921 72.627 2.110 1.00 121.22 ? 599 LYS A C 1 ATOM 3356 O O . LYS A 1 517 ? 18.272 73.678 1.971 1.00 124.53 ? 599 LYS A O 1 ATOM 3357 C CB . LYS A 1 517 ? 17.499 70.594 1.965 1.00 102.35 ? 599 LYS A CB 1 ATOM 3358 N N . SER A 1 518 ? 19.977 72.543 2.907 1.00 124.95 ? 600 SER A N 1 ATOM 3359 C CA . SER A 1 518 ? 20.317 73.622 3.824 1.00 126.29 ? 600 SER A CA 1 ATOM 3360 C C . SER A 1 518 ? 21.742 74.171 3.704 1.00 126.05 ? 600 SER A C 1 ATOM 3361 O O . SER A 1 518 ? 22.640 73.634 4.353 1.00 127.54 ? 600 SER A O 1 ATOM 3362 C CB . SER A 1 518 ? 20.067 73.166 5.260 1.00 122.47 ? 600 SER A CB 1 ATOM 3363 O OG . SER A 1 518 ? 20.899 72.072 5.590 1.00 119.41 ? 600 SER A OG 1 ATOM 3364 N N . THR A 1 519 ? 21.959 75.224 2.915 1.00 123.52 ? 601 THR A N 1 ATOM 3365 C CA . THR A 1 519 ? 23.297 75.808 2.778 1.00 122.40 ? 601 THR A CA 1 ATOM 3366 C C . THR A 1 519 ? 23.321 77.271 3.252 1.00 122.70 ? 601 THR A C 1 ATOM 3367 O O . THR A 1 519 ? 22.430 78.042 2.896 1.00 123.11 ? 601 THR A O 1 ATOM 3368 C CB . THR A 1 519 ? 23.769 75.763 1.310 1.00 123.38 ? 601 THR A CB 1 ATOM 3369 O OG1 . THR A 1 519 ? 23.235 76.890 0.606 1.00 128.61 ? 601 THR A OG1 1 ATOM 3370 C CG2 . THR A 1 519 ? 23.310 74.481 0.636 1.00 120.32 ? 601 THR A CG2 1 ATOM 3371 N N . SER A 1 520 ? 24.329 77.672 4.037 1.00 119.44 ? 602 SER A N 1 ATOM 3372 C CA . SER A 1 520 ? 25.377 76.806 4.575 1.00 108.20 ? 602 SER A CA 1 ATOM 3373 C C . SER A 1 520 ? 25.870 77.385 5.901 1.00 100.88 ? 602 SER A C 1 ATOM 3374 O O . SER A 1 520 ? 26.367 78.508 5.939 1.00 104.86 ? 602 SER A O 1 ATOM 3375 C CB . SER A 1 520 ? 26.545 76.670 3.591 1.00 106.12 ? 602 SER A CB 1 ATOM 3376 O OG . SER A 1 520 ? 27.554 75.811 4.103 1.00 104.68 ? 602 SER A OG 1 ATOM 3377 N N . ASN A 1 521 ? 25.738 76.629 6.985 1.00 88.49 ? 603 ASN A N 1 ATOM 3378 C CA . ASN A 1 521 ? 26.099 77.142 8.305 1.00 75.21 ? 603 ASN A CA 1 ATOM 3379 C C . ASN A 1 521 ? 27.607 77.179 8.547 1.00 69.03 ? 603 ASN A C 1 ATOM 3380 O O . ASN A 1 521 ? 28.377 76.498 7.870 1.00 60.97 ? 603 ASN A O 1 ATOM 3381 C CB . ASN A 1 521 ? 25.415 76.336 9.386 1.00 71.63 ? 603 ASN A CB 1 ATOM 3382 N N . ASP A 1 522 ? 28.016 77.986 9.522 1.00 72.63 ? 604 ASP A N 1 ATOM 3383 C CA . ASP A 1 522 ? 29.414 78.065 9.929 1.00 79.81 ? 604 ASP A CA 1 ATOM 3384 C C . ASP A 1 522 ? 29.698 77.040 11.020 1.00 87.28 ? 604 ASP A C 1 ATOM 3385 O O . ASP A 1 522 ? 29.035 77.027 12.055 1.00 85.75 ? 604 ASP A O 1 ATOM 3386 C CB . ASP A 1 522 ? 29.760 79.474 10.416 1.00 76.95 ? 604 ASP A CB 1 ATOM 3387 N N . LEU A 1 523 ? 30.685 76.181 10.786 1.00 91.24 ? 605 LEU A N 1 ATOM 3388 C CA . LEU A 1 523 ? 31.035 75.153 11.757 1.00 82.37 ? 605 LEU A CA 1 ATOM 3389 C C . LEU A 1 523 ? 32.036 75.660 12.783 1.00 78.04 ? 605 LEU A C 1 ATOM 3390 O O . LEU A 1 523 ? 32.165 75.089 13.866 1.00 66.81 ? 605 LEU A O 1 ATOM 3391 C CB . LEU A 1 523 ? 31.592 73.916 11.050 1.00 80.17 ? 605 LEU A CB 1 ATOM 3392 C CG . LEU A 1 523 ? 30.672 73.191 10.066 1.00 75.65 ? 605 LEU A CG 1 ATOM 3393 C CD1 . LEU A 1 523 ? 31.374 71.971 9.490 1.00 78.20 ? 605 LEU A CD1 1 ATOM 3394 C CD2 . LEU A 1 523 ? 29.372 72.796 10.745 1.00 58.84 ? 605 LEU A CD2 1 ATOM 3395 N N . GLY A 1 524 ? 32.739 76.736 12.445 1.00 89.07 ? 606 GLY A N 1 ATOM 3396 C CA . GLY A 1 524 ? 33.713 77.311 13.357 1.00 91.21 ? 606 GLY A CA 1 ATOM 3397 C C . GLY A 1 524 ? 34.863 76.343 13.534 1.00 84.09 ? 606 GLY A C 1 ATOM 3398 O O . GLY A 1 524 ? 35.222 75.991 14.659 1.00 73.58 ? 606 GLY A O 1 ATOM 3399 N N . CYS A 1 525 ? 35.445 75.914 12.420 1.00 84.47 ? 607 CYS A N 1 ATOM 3400 C CA . CYS A 1 525 ? 36.543 74.963 12.475 1.00 80.61 ? 607 CYS A CA 1 ATOM 3401 C C . CYS A 1 525 ? 37.787 75.477 11.761 1.00 79.65 ? 607 CYS A C 1 ATOM 3402 O O . CYS A 1 525 ? 37.696 76.146 10.731 1.00 72.93 ? 607 CYS A O 1 ATOM 3403 C CB . CYS A 1 525 ? 36.105 73.629 11.870 1.00 74.34 ? 607 CYS A CB 1 ATOM 3404 S SG . CYS A 1 525 ? 34.768 72.825 12.760 1.00 103.34 ? 607 CYS A SG 1 ATOM 3405 N N . THR A 1 526 ? 38.950 75.150 12.315 1.00 84.81 ? 608 THR A N 1 ATOM 3406 C CA . THR A 1 526 ? 40.223 75.529 11.716 1.00 86.36 ? 608 THR A CA 1 ATOM 3407 C C . THR A 1 526 ? 40.773 74.355 10.927 1.00 87.11 ? 608 THR A C 1 ATOM 3408 O O . THR A 1 526 ? 41.005 73.283 11.486 1.00 93.02 ? 608 THR A O 1 ATOM 3409 C CB . THR A 1 526 ? 41.245 75.957 12.775 1.00 87.72 ? 608 THR A CB 1 ATOM 3410 O OG1 . THR A 1 526 ? 40.730 77.074 13.510 1.00 91.45 ? 608 THR A OG1 1 ATOM 3411 C CG2 . THR A 1 526 ? 42.560 76.353 12.117 1.00 88.41 ? 608 THR A CG2 1 ATOM 3412 N N . CYS A 1 527 ? 40.993 74.550 9.633 1.00 83.36 ? 609 CYS A N 1 ATOM 3413 C CA . CYS A 1 527 ? 41.480 73.457 8.810 1.00 90.62 ? 609 CYS A CA 1 ATOM 3414 C C . CYS A 1 527 ? 42.860 73.761 8.236 1.00 101.71 ? 609 CYS A C 1 ATOM 3415 O O . CYS A 1 527 ? 43.025 74.685 7.438 1.00 108.56 ? 609 CYS A O 1 ATOM 3416 C CB . CYS A 1 527 ? 40.488 73.163 7.682 1.00 89.04 ? 609 CYS A CB 1 ATOM 3417 S SG . CYS A 1 527 ? 38.801 72.790 8.232 1.00 141.69 ? 609 CYS A SG 1 ATOM 3418 N N . ASP A 1 528 ? 43.847 72.967 8.641 1.00 100.32 ? 610 ASP A N 1 ATOM 3419 C CA . ASP A 1 528 ? 45.211 73.136 8.160 1.00 94.06 ? 610 ASP A CA 1 ATOM 3420 C C . ASP A 1 528 ? 45.367 72.520 6.774 1.00 95.85 ? 610 ASP A C 1 ATOM 3421 O O . ASP A 1 528 ? 44.888 71.411 6.534 1.00 102.33 ? 610 ASP A O 1 ATOM 3422 C CB . ASP A 1 528 ? 46.207 72.506 9.137 1.00 87.72 ? 610 ASP A CB 1 ATOM 3423 N N . PRO A 1 529 ? 46.037 73.235 5.857 1.00 91.79 ? 611 PRO A N 1 ATOM 3424 C CA . PRO A 1 529 ? 46.272 72.742 4.494 1.00 89.27 ? 611 PRO A CA 1 ATOM 3425 C C . PRO A 1 529 ? 47.067 71.438 4.485 1.00 83.78 ? 611 PRO A C 1 ATOM 3426 O O . PRO A 1 529 ? 46.634 70.470 3.859 1.00 75.54 ? 611 PRO A O 1 ATOM 3427 C CB . PRO A 1 529 ? 47.095 73.864 3.856 1.00 85.80 ? 611 PRO A CB 1 ATOM 3428 C CG . PRO A 1 529 ? 46.734 75.082 4.631 1.00 86.11 ? 611 PRO A CG 1 ATOM 3429 C CD . PRO A 1 529 ? 46.533 74.609 6.040 1.00 86.71 ? 611 PRO A CD 1 ATOM 3430 N N . GLU A 1 546 ? 28.754 54.422 -12.548 1.00 90.99 ? 628 GLU A N 1 ATOM 3431 C CA . GLU A 1 546 ? 29.214 55.581 -11.789 1.00 88.56 ? 628 GLU A CA 1 ATOM 3432 C C . GLU A 1 546 ? 29.038 55.382 -10.281 1.00 73.25 ? 628 GLU A C 1 ATOM 3433 O O . GLU A 1 546 ? 29.930 54.882 -9.595 1.00 55.84 ? 628 GLU A O 1 ATOM 3434 C CB . GLU A 1 546 ? 28.485 56.850 -12.249 1.00 93.00 ? 628 GLU A CB 1 ATOM 3435 C CG . GLU A 1 546 ? 27.030 56.635 -12.672 1.00 94.66 ? 628 GLU A CG 1 ATOM 3436 C CD . GLU A 1 546 ? 26.170 57.869 -12.459 1.00 94.64 ? 628 GLU A CD 1 ATOM 3437 O OE1 . GLU A 1 546 ? 25.429 58.248 -13.391 1.00 96.81 ? 628 GLU A OE1 1 ATOM 3438 O OE2 . GLU A 1 546 ? 26.227 58.455 -11.357 1.00 88.77 ? 628 GLU A OE2 1 ATOM 3439 N N . ASP A 1 547 ? 27.877 55.793 -9.786 1.00 73.76 ? 629 ASP A N 1 ATOM 3440 C CA . ASP A 1 547 ? 27.475 55.644 -8.392 1.00 65.76 ? 629 ASP A CA 1 ATOM 3441 C C . ASP A 1 547 ? 27.276 54.185 -7.996 1.00 56.58 ? 629 ASP A C 1 ATOM 3442 O O . ASP A 1 547 ? 27.572 53.794 -6.868 1.00 51.97 ? 629 ASP A O 1 ATOM 3443 C CB . ASP A 1 547 ? 26.199 56.443 -8.148 1.00 63.37 ? 629 ASP A CB 1 ATOM 3444 C CG . ASP A 1 547 ? 26.484 57.866 -7.704 1.00 63.24 ? 629 ASP A CG 1 ATOM 3445 O OD1 . ASP A 1 547 ? 27.656 58.171 -7.390 1.00 63.26 ? 629 ASP A OD1 1 ATOM 3446 O OD2 . ASP A 1 547 ? 25.539 58.679 -7.665 1.00 61.27 ? 629 ASP A OD2 1 ATOM 3447 N N . ASP A 1 548 ? 26.774 53.380 -8.925 1.00 51.56 ? 630 ASP A N 1 ATOM 3448 C CA . ASP A 1 548 ? 26.554 51.965 -8.657 1.00 36.46 ? 630 ASP A CA 1 ATOM 3449 C C . ASP A 1 548 ? 27.859 51.188 -8.558 1.00 34.04 ? 630 ASP A C 1 ATOM 3450 O O . ASP A 1 548 ? 27.906 50.152 -7.896 1.00 34.35 ? 630 ASP A O 1 ATOM 3451 C CB . ASP A 1 548 ? 25.670 51.355 -9.748 1.00 34.89 ? 630 ASP A CB 1 ATOM 3452 C CG . ASP A 1 548 ? 26.361 51.298 -11.098 1.00 41.69 ? 630 ASP A CG 1 ATOM 3453 O OD1 . ASP A 1 548 ? 26.284 52.293 -11.851 1.00 61.85 ? 630 ASP A OD1 1 ATOM 3454 O OD2 . ASP A 1 548 ? 26.977 50.256 -11.409 1.00 29.99 ? 630 ASP A OD2 1 ATOM 3455 N N . ASP A 1 549 ? 28.914 51.665 -9.210 1.00 39.28 ? 631 ASP A N 1 ATOM 3456 C CA . ASP A 1 549 ? 30.189 50.966 -9.123 1.00 48.55 ? 631 ASP A CA 1 ATOM 3457 C C . ASP A 1 549 ? 30.791 51.174 -7.732 1.00 42.18 ? 631 ASP A C 1 ATOM 3458 O O . ASP A 1 549 ? 31.385 50.261 -7.159 1.00 40.48 ? 631 ASP A O 1 ATOM 3459 C CB . ASP A 1 549 ? 31.154 51.459 -10.205 1.00 58.16 ? 631 ASP A CB 1 ATOM 3460 C CG . ASP A 1 549 ? 30.644 51.196 -11.610 1.00 73.30 ? 631 ASP A CG 1 ATOM 3461 O OD1 . ASP A 1 549 ? 29.800 51.978 -12.097 1.00 71.40 ? 631 ASP A OD1 1 ATOM 3462 O OD2 . ASP A 1 549 ? 31.088 50.205 -12.227 1.00 84.40 ? 631 ASP A OD2 1 ATOM 3463 N N . ILE A 1 550 ? 30.633 52.380 -7.195 1.00 37.61 ? 632 ILE A N 1 ATOM 3464 C CA . ILE A 1 550 ? 31.190 52.721 -5.887 1.00 37.43 ? 632 ILE A CA 1 ATOM 3465 C C . ILE A 1 550 ? 30.325 52.179 -4.748 1.00 29.13 ? 632 ILE A C 1 ATOM 3466 O O . ILE A 1 550 ? 30.788 52.032 -3.618 1.00 27.95 ? 632 ILE A O 1 ATOM 3467 C CB . ILE A 1 550 ? 31.392 54.248 -5.735 1.00 47.22 ? 632 ILE A CB 1 ATOM 3468 C CG1 . ILE A 1 550 ? 32.491 54.535 -4.711 1.00 61.04 ? 632 ILE A CG1 1 ATOM 3469 C CG2 . ILE A 1 550 ? 30.101 54.934 -5.328 1.00 43.90 ? 632 ILE A CG2 1 ATOM 3470 C CD1 . ILE A 1 550 ? 33.841 53.964 -5.096 1.00 68.67 ? 632 ILE A CD1 1 ATOM 3471 N N . TYR A 1 551 ? 29.069 51.878 -5.059 1.00 31.66 ? 633 TYR A N 1 ATOM 3472 C CA . TYR A 1 551 ? 28.144 51.305 -4.088 1.00 26.77 ? 633 TYR A CA 1 ATOM 3473 C C . TYR A 1 551 ? 28.539 49.866 -3.790 1.00 25.71 ? 633 TYR A C 1 ATOM 3474 O O . TYR A 1 551 ? 28.778 49.500 -2.640 1.00 31.39 ? 633 TYR A O 1 ATOM 3475 C CB . TYR A 1 551 ? 26.711 51.363 -4.623 1.00 23.31 ? 633 TYR A CB 1 ATOM 3476 C CG . TYR A 1 551 ? 25.684 50.649 -3.771 1.00 14.40 ? 633 TYR A CG 1 ATOM 3477 C CD1 . TYR A 1 551 ? 25.361 49.318 -4.003 1.00 13.99 ? 633 TYR A CD1 1 ATOM 3478 C CD2 . TYR A 1 551 ? 25.019 51.315 -2.749 1.00 14.53 ? 633 TYR A CD2 1 ATOM 3479 C CE1 . TYR A 1 551 ? 24.418 48.666 -3.233 1.00 19.78 ? 633 TYR A CE1 1 ATOM 3480 C CE2 . TYR A 1 551 ? 24.075 50.672 -1.975 1.00 14.27 ? 633 TYR A CE2 1 ATOM 3481 C CZ . TYR A 1 551 ? 23.779 49.348 -2.222 1.00 26.15 ? 633 TYR A CZ 1 ATOM 3482 O OH . TYR A 1 551 ? 22.839 48.703 -1.455 1.00 28.30 ? 633 TYR A OH 1 ATOM 3483 N N . HIS A 1 552 ? 28.598 49.055 -4.842 1.00 22.83 ? 634 HIS A N 1 ATOM 3484 C CA . HIS A 1 552 ? 28.948 47.643 -4.732 1.00 32.55 ? 634 HIS A CA 1 ATOM 3485 C C . HIS A 1 552 ? 30.341 47.456 -4.135 1.00 35.90 ? 634 HIS A C 1 ATOM 3486 O O . HIS A 1 552 ? 30.676 46.385 -3.628 1.00 37.69 ? 634 HIS A O 1 ATOM 3487 C CB . HIS A 1 552 ? 28.869 46.982 -6.111 1.00 39.79 ? 634 HIS A CB 1 ATOM 3488 C CG . HIS A 1 552 ? 29.292 45.547 -6.123 1.00 34.91 ? 634 HIS A CG 1 ATOM 3489 N ND1 . HIS A 1 552 ? 28.606 44.561 -5.448 1.00 33.20 ? 634 HIS A ND1 1 ATOM 3490 C CD2 . HIS A 1 552 ? 30.336 44.932 -6.727 1.00 36.08 ? 634 HIS A CD2 1 ATOM 3491 C CE1 . HIS A 1 552 ? 29.208 43.401 -5.637 1.00 40.44 ? 634 HIS A CE1 1 ATOM 3492 N NE2 . HIS A 1 552 ? 30.261 43.598 -6.410 1.00 40.96 ? 634 HIS A NE2 1 HETATM 3493 N N . MSE A 1 553 ? 31.145 48.512 -4.193 1.00 38.24 ? 635 MSE A N 1 HETATM 3494 C CA . MSE A 1 553 ? 32.503 48.485 -3.670 1.00 43.38 ? 635 MSE A CA 1 HETATM 3495 C C . MSE A 1 553 ? 32.514 48.709 -2.158 1.00 40.47 ? 635 MSE A C 1 HETATM 3496 O O . MSE A 1 553 ? 33.401 48.223 -1.456 1.00 42.12 ? 635 MSE A O 1 HETATM 3497 C CB . MSE A 1 553 ? 33.343 49.555 -4.368 1.00 55.26 ? 635 MSE A CB 1 HETATM 3498 C CG . MSE A 1 553 ? 34.831 49.270 -4.409 1.00 57.48 ? 635 MSE A CG 1 HETATM 3499 SE SE . MSE A 1 553 ? 35.739 50.446 -5.673 1.00 116.57 ? 635 MSE A SE 1 HETATM 3500 C CE . MSE A 1 553 ? 34.688 50.050 -7.267 1.00 35.86 ? 635 MSE A CE 1 ATOM 3501 N N . THR A 1 554 ? 31.523 49.444 -1.662 1.00 34.55 ? 636 THR A N 1 ATOM 3502 C CA . THR A 1 554 ? 31.442 49.763 -0.238 1.00 36.26 ? 636 THR A CA 1 ATOM 3503 C C . THR A 1 554 ? 30.620 48.737 0.539 1.00 36.88 ? 636 THR A C 1 ATOM 3504 O O . THR A 1 554 ? 30.919 48.440 1.696 1.00 33.73 ? 636 THR A O 1 ATOM 3505 C CB . THR A 1 554 ? 30.855 51.167 -0.011 1.00 29.35 ? 636 THR A CB 1 ATOM 3506 O OG1 . THR A 1 554 ? 29.579 51.261 -0.654 1.00 38.40 ? 636 THR A OG1 1 ATOM 3507 C CG2 . THR A 1 554 ? 31.782 52.226 -0.579 1.00 17.90 ? 636 THR A CG2 1 ATOM 3508 N N . VAL A 1 555 ? 29.586 48.199 -0.100 1.00 32.77 ? 637 VAL A N 1 ATOM 3509 C CA . VAL A 1 555 ? 28.786 47.134 0.500 1.00 35.55 ? 637 VAL A CA 1 ATOM 3510 C C . VAL A 1 555 ? 28.705 45.916 -0.426 1.00 38.84 ? 637 VAL A C 1 ATOM 3511 O O . VAL A 1 555 ? 27.662 45.648 -1.024 1.00 37.35 ? 637 VAL A O 1 ATOM 3512 C CB . VAL A 1 555 ? 27.367 47.625 0.874 1.00 36.33 ? 637 VAL A CB 1 ATOM 3513 C CG1 . VAL A 1 555 ? 27.388 48.339 2.215 1.00 37.12 ? 637 VAL A CG1 1 ATOM 3514 C CG2 . VAL A 1 555 ? 26.804 48.535 -0.212 1.00 31.51 ? 637 VAL A CG2 1 ATOM 3515 N N . PRO A 1 556 ? 29.814 45.164 -0.534 1.00 34.87 ? 638 PRO A N 1 ATOM 3516 C CA . PRO A 1 556 ? 29.942 44.043 -1.474 1.00 32.16 ? 638 PRO A CA 1 ATOM 3517 C C . PRO A 1 556 ? 29.117 42.819 -1.084 1.00 28.30 ? 638 PRO A C 1 ATOM 3518 O O . PRO A 1 556 ? 28.938 41.916 -1.902 1.00 16.40 ? 638 PRO A O 1 ATOM 3519 C CB . PRO A 1 556 ? 31.434 43.710 -1.406 1.00 31.02 ? 638 PRO A CB 1 ATOM 3520 C CG . PRO A 1 556 ? 31.839 44.120 -0.037 1.00 24.66 ? 638 PRO A CG 1 ATOM 3521 C CD . PRO A 1 556 ? 31.032 45.344 0.276 1.00 25.11 ? 638 PRO A CD 1 ATOM 3522 N N . TYR A 1 557 ? 28.622 42.792 0.147 1.00 34.78 ? 639 TYR A N 1 ATOM 3523 C CA . TYR A 1 557 ? 27.840 41.663 0.628 1.00 10.94 ? 639 TYR A CA 1 ATOM 3524 C C . TYR A 1 557 ? 26.384 42.073 0.771 1.00 29.57 ? 639 TYR A C 1 ATOM 3525 O O . TYR A 1 557 ? 25.546 41.298 1.232 1.00 20.10 ? 639 TYR A O 1 ATOM 3526 C CB . TYR A 1 557 ? 28.393 41.177 1.966 1.00 28.72 ? 639 TYR A CB 1 ATOM 3527 C CG . TYR A 1 557 ? 29.903 41.154 2.016 1.00 24.99 ? 639 TYR A CG 1 ATOM 3528 C CD1 . TYR A 1 557 ? 30.639 40.423 1.093 1.00 24.29 ? 639 TYR A CD1 1 ATOM 3529 C CD2 . TYR A 1 557 ? 30.594 41.881 2.977 1.00 18.74 ? 639 TYR A CD2 1 ATOM 3530 C CE1 . TYR A 1 557 ? 32.019 40.407 1.133 1.00 32.46 ? 639 TYR A CE1 1 ATOM 3531 C CE2 . TYR A 1 557 ? 31.974 41.871 3.025 1.00 18.56 ? 639 TYR A CE2 1 ATOM 3532 C CZ . TYR A 1 557 ? 32.681 41.133 2.100 1.00 32.49 ? 639 TYR A CZ 1 ATOM 3533 O OH . TYR A 1 557 ? 34.056 41.119 2.144 1.00 39.64 ? 639 TYR A OH 1 ATOM 3534 N N . GLY A 1 558 ? 26.095 43.306 0.367 1.00 39.14 ? 640 GLY A N 1 ATOM 3535 C CA . GLY A 1 558 ? 24.767 43.875 0.497 1.00 36.18 ? 640 GLY A CA 1 ATOM 3536 C C . GLY A 1 558 ? 24.732 44.866 1.642 1.00 34.98 ? 640 GLY A C 1 ATOM 3537 O O . GLY A 1 558 ? 25.383 44.662 2.666 1.00 11.77 ? 640 GLY A O 1 ATOM 3538 N N . ARG A 1 559 ? 23.979 45.946 1.470 1.00 33.63 ? 641 ARG A N 1 ATOM 3539 C CA . ARG A 1 559 ? 23.836 46.940 2.523 1.00 25.02 ? 641 ARG A CA 1 ATOM 3540 C C . ARG A 1 559 ? 23.126 46.338 3.728 1.00 29.92 ? 641 ARG A C 1 ATOM 3541 O O . ARG A 1 559 ? 22.289 45.449 3.576 1.00 28.95 ? 641 ARG A O 1 ATOM 3542 C CB . ARG A 1 559 ? 23.056 48.153 2.017 1.00 32.81 ? 641 ARG A CB 1 ATOM 3543 C CG . ARG A 1 559 ? 21.709 47.810 1.403 1.00 37.87 ? 641 ARG A CG 1 ATOM 3544 C CD . ARG A 1 559 ? 20.898 49.064 1.132 1.00 38.54 ? 641 ARG A CD 1 ATOM 3545 N NE . ARG A 1 559 ? 20.205 49.533 2.327 1.00 40.02 ? 641 ARG A NE 1 ATOM 3546 C CZ . ARG A 1 559 ? 18.924 49.297 2.589 1.00 40.69 ? 641 ARG A CZ 1 ATOM 3547 N NH1 . ARG A 1 559 ? 18.188 48.595 1.740 1.00 35.44 ? 641 ARG A NH1 1 ATOM 3548 N NH2 . ARG A 1 559 ? 18.378 49.759 3.706 1.00 49.81 ? 641 ARG A NH2 1 ATOM 3549 N N . PRO A 1 560 ? 23.466 46.814 4.934 1.00 34.08 ? 642 PRO A N 1 ATOM 3550 C CA . PRO A 1 560 ? 22.752 46.398 6.144 1.00 27.92 ? 642 PRO A CA 1 ATOM 3551 C C . PRO A 1 560 ? 21.280 46.791 6.057 1.00 29.84 ? 642 PRO A C 1 ATOM 3552 O O . PRO A 1 560 ? 20.968 47.927 5.700 1.00 31.34 ? 642 PRO A O 1 ATOM 3553 C CB . PRO A 1 560 ? 23.446 47.197 7.250 1.00 21.18 ? 642 PRO A CB 1 ATOM 3554 C CG . PRO A 1 560 ? 24.798 47.499 6.708 1.00 12.69 ? 642 PRO A CG 1 ATOM 3555 C CD . PRO A 1 560 ? 24.599 47.704 5.239 1.00 27.29 ? 642 PRO A CD 1 ATOM 3556 N N . ARG A 1 561 ? 20.390 45.861 6.385 1.00 13.01 ? 643 ARG A N 1 ATOM 3557 C CA . ARG A 1 561 ? 18.960 46.138 6.354 1.00 37.44 ? 643 ARG A CA 1 ATOM 3558 C C . ARG A 1 561 ? 18.475 46.692 7.686 1.00 36.23 ? 643 ARG A C 1 ATOM 3559 O O . ARG A 1 561 ? 18.942 46.281 8.748 1.00 39.21 ? 643 ARG A O 1 ATOM 3560 C CB . ARG A 1 561 ? 18.177 44.875 5.993 1.00 34.34 ? 643 ARG A CB 1 ATOM 3561 C CG . ARG A 1 561 ? 18.635 44.209 4.712 1.00 32.18 ? 643 ARG A CG 1 ATOM 3562 C CD . ARG A 1 561 ? 18.505 45.149 3.527 1.00 35.95 ? 643 ARG A CD 1 ATOM 3563 N NE . ARG A 1 561 ? 19.527 44.895 2.517 1.00 32.49 ? 643 ARG A NE 1 ATOM 3564 C CZ . ARG A 1 561 ? 19.402 44.005 1.538 1.00 25.06 ? 643 ARG A CZ 1 ATOM 3565 N NH1 . ARG A 1 561 ? 18.296 43.280 1.437 1.00 31.65 ? 643 ARG A NH1 1 ATOM 3566 N NH2 . ARG A 1 561 ? 20.382 43.837 0.663 1.00 14.06 ? 643 ARG A NH2 1 ATOM 3567 N N . ILE A 1 562 ? 17.535 47.629 7.624 1.00 32.82 ? 644 ILE A N 1 ATOM 3568 C CA . ILE A 1 562 ? 17.035 48.268 8.831 1.00 30.28 ? 644 ILE A CA 1 ATOM 3569 C C . ILE A 1 562 ? 15.866 47.475 9.406 1.00 36.87 ? 644 ILE A C 1 ATOM 3570 O O . ILE A 1 562 ? 14.761 47.486 8.867 1.00 41.36 ? 644 ILE A O 1 ATOM 3571 C CB . ILE A 1 562 ? 16.594 49.719 8.563 1.00 28.77 ? 644 ILE A CB 1 ATOM 3572 C CG1 . ILE A 1 562 ? 17.671 50.470 7.776 1.00 21.46 ? 644 ILE A CG1 1 ATOM 3573 C CG2 . ILE A 1 562 ? 16.288 50.434 9.868 1.00 33.60 ? 644 ILE A CG2 1 ATOM 3574 C CD1 . ILE A 1 562 ? 19.000 50.562 8.490 1.00 18.84 ? 644 ILE A CD1 1 ATOM 3575 N N . LEU A 1 563 ? 16.126 46.796 10.516 1.00 37.23 ? 645 LEU A N 1 ATOM 3576 C CA . LEU A 1 563 ? 15.129 45.971 11.190 1.00 33.43 ? 645 LEU A CA 1 ATOM 3577 C C . LEU A 1 563 ? 14.352 46.820 12.185 1.00 35.72 ? 645 LEU A C 1 ATOM 3578 O O . LEU A 1 563 ? 13.441 46.342 12.862 1.00 38.84 ? 645 LEU A O 1 ATOM 3579 C CB . LEU A 1 563 ? 15.788 44.776 11.884 1.00 31.41 ? 645 LEU A CB 1 ATOM 3580 C CG . LEU A 1 563 ? 15.858 43.465 11.095 1.00 39.08 ? 645 LEU A CG 1 ATOM 3581 C CD1 . LEU A 1 563 ? 16.425 43.687 9.705 1.00 40.07 ? 645 LEU A CD1 1 ATOM 3582 C CD2 . LEU A 1 563 ? 16.682 42.432 11.848 1.00 46.12 ? 645 LEU A CD2 1 ATOM 3583 N N . LEU A 1 564 ? 14.731 48.090 12.258 1.00 34.92 ? 646 LEU A N 1 ATOM 3584 C CA . LEU A 1 564 ? 14.105 49.050 13.152 1.00 36.78 ? 646 LEU A CA 1 ATOM 3585 C C . LEU A 1 564 ? 12.707 49.426 12.667 1.00 54.24 ? 646 LEU A C 1 ATOM 3586 O O . LEU A 1 564 ? 12.509 49.698 11.484 1.00 60.80 ? 646 LEU A O 1 ATOM 3587 C CB . LEU A 1 564 ? 14.969 50.305 13.254 1.00 29.18 ? 646 LEU A CB 1 ATOM 3588 C CG . LEU A 1 564 ? 16.335 50.165 13.928 1.00 22.05 ? 646 LEU A CG 1 ATOM 3589 C CD1 . LEU A 1 564 ? 17.086 51.488 13.916 1.00 24.81 ? 646 LEU A CD1 1 ATOM 3590 C CD2 . LEU A 1 564 ? 16.193 49.640 15.329 1.00 16.84 ? 646 LEU A CD2 1 ATOM 3591 N N . LYS A 1 565 ? 11.738 49.441 13.579 1.00 65.91 ? 647 LYS A N 1 ATOM 3592 C CA . LYS A 1 565 ? 10.359 49.764 13.219 1.00 69.27 ? 647 LYS A CA 1 ATOM 3593 C C . LYS A 1 565 ? 9.793 50.909 14.059 1.00 75.76 ? 647 LYS A C 1 ATOM 3594 O O . LYS A 1 565 ? 9.632 50.772 15.272 1.00 92.67 ? 647 LYS A O 1 ATOM 3595 C CB . LYS A 1 565 ? 9.470 48.528 13.374 1.00 57.68 ? 647 LYS A CB 1 ATOM 3596 N N . GLN A 1 566 ? 9.487 52.036 13.419 1.00 62.62 ? 648 GLN A N 1 ATOM 3597 C CA . GLN A 1 566 ? 9.731 52.222 11.993 1.00 59.89 ? 648 GLN A CA 1 ATOM 3598 C C . GLN A 1 566 ? 10.651 53.423 11.823 1.00 61.33 ? 648 GLN A C 1 ATOM 3599 O O . GLN A 1 566 ? 10.208 54.531 11.516 1.00 59.18 ? 648 GLN A O 1 ATOM 3600 C CB . GLN A 1 566 ? 8.420 52.427 11.232 1.00 56.30 ? 648 GLN A CB 1 ATOM 3601 N N . HIS A 1 567 ? 11.939 53.179 12.030 1.00 55.49 ? 649 HIS A N 1 ATOM 3602 C CA . HIS A 1 567 ? 12.956 54.221 12.022 1.00 48.37 ? 649 HIS A CA 1 ATOM 3603 C C . HIS A 1 567 ? 13.141 54.859 10.646 1.00 54.75 ? 649 HIS A C 1 ATOM 3604 O O . HIS A 1 567 ? 13.008 54.192 9.618 1.00 57.58 ? 649 HIS A O 1 ATOM 3605 C CB . HIS A 1 567 ? 14.280 53.634 12.509 1.00 41.86 ? 649 HIS A CB 1 ATOM 3606 C CG . HIS A 1 567 ? 15.234 54.649 13.053 1.00 41.76 ? 649 HIS A CG 1 ATOM 3607 N ND1 . HIS A 1 567 ? 15.553 54.719 14.391 1.00 34.52 ? 649 HIS A ND1 1 ATOM 3608 C CD2 . HIS A 1 567 ? 15.943 55.628 12.444 1.00 52.43 ? 649 HIS A CD2 1 ATOM 3609 C CE1 . HIS A 1 567 ? 16.414 55.700 14.585 1.00 45.36 ? 649 HIS A CE1 1 ATOM 3610 N NE2 . HIS A 1 567 ? 16.666 56.269 13.420 1.00 53.61 ? 649 HIS A NE2 1 ATOM 3611 N N . ARG A 1 568 ? 13.447 56.153 10.635 1.00 56.04 ? 650 ARG A N 1 ATOM 3612 C CA . ARG A 1 568 ? 13.713 56.868 9.392 1.00 56.31 ? 650 ARG A CA 1 ATOM 3613 C C . ARG A 1 568 ? 15.213 56.891 9.112 1.00 52.47 ? 650 ARG A C 1 ATOM 3614 O O . ARG A 1 568 ? 15.986 57.490 9.861 1.00 45.87 ? 650 ARG A O 1 ATOM 3615 C CB . ARG A 1 568 ? 13.160 58.293 9.452 1.00 58.02 ? 650 ARG A CB 1 ATOM 3616 N N . VAL A 1 569 ? 15.618 56.236 8.028 1.00 49.46 ? 651 VAL A N 1 ATOM 3617 C CA . VAL A 1 569 ? 17.034 56.100 7.700 1.00 39.63 ? 651 VAL A CA 1 ATOM 3618 C C . VAL A 1 569 ? 17.339 56.585 6.284 1.00 33.62 ? 651 VAL A C 1 ATOM 3619 O O . VAL A 1 569 ? 16.625 56.249 5.339 1.00 31.50 ? 651 VAL A O 1 ATOM 3620 C CB . VAL A 1 569 ? 17.505 54.635 7.842 1.00 36.90 ? 651 VAL A CB 1 ATOM 3621 C CG1 . VAL A 1 569 ? 18.995 54.521 7.554 1.00 34.97 ? 651 VAL A CG1 1 ATOM 3622 C CG2 . VAL A 1 569 ? 17.188 54.102 9.230 1.00 33.00 ? 651 VAL A CG2 1 ATOM 3623 N N . CYS A 1 570 ? 18.402 57.372 6.142 1.00 31.86 ? 652 CYS A N 1 ATOM 3624 C CA . CYS A 1 570 ? 18.866 57.796 4.826 1.00 32.48 ? 652 CYS A CA 1 ATOM 3625 C C . CYS A 1 570 ? 20.177 57.112 4.450 1.00 35.37 ? 652 CYS A C 1 ATOM 3626 O O . CYS A 1 570 ? 21.006 56.822 5.314 1.00 44.54 ? 652 CYS A O 1 ATOM 3627 C CB . CYS A 1 570 ? 19.047 59.316 4.776 1.00 26.28 ? 652 CYS A CB 1 ATOM 3628 S SG . CYS A 1 570 ? 17.516 60.253 4.577 1.00 135.81 ? 652 CYS A SG 1 ATOM 3629 N N . LEU A 1 571 ? 20.362 56.861 3.158 1.00 24.90 ? 653 LEU A N 1 ATOM 3630 C CA . LEU A 1 571 ? 21.592 56.256 2.662 1.00 22.67 ? 653 LEU A CA 1 ATOM 3631 C C . LEU A 1 571 ? 22.493 57.316 2.040 1.00 27.93 ? 653 LEU A C 1 ATOM 3632 O O . LEU A 1 571 ? 22.210 57.825 0.957 1.00 50.52 ? 653 LEU A O 1 ATOM 3633 C CB . LEU A 1 571 ? 21.282 55.158 1.645 1.00 25.33 ? 653 LEU A CB 1 ATOM 3634 C CG . LEU A 1 571 ? 20.572 53.917 2.189 1.00 26.75 ? 653 LEU A CG 1 ATOM 3635 C CD1 . LEU A 1 571 ? 20.198 52.970 1.060 1.00 26.49 ? 653 LEU A CD1 1 ATOM 3636 C CD2 . LEU A 1 571 ? 21.441 53.210 3.220 1.00 23.35 ? 653 LEU A CD2 1 ATOM 3637 N N . LEU A 1 572 ? 23.577 57.649 2.732 1.00 21.48 ? 654 LEU A N 1 ATOM 3638 C CA . LEU A 1 572 ? 24.506 58.671 2.260 1.00 28.84 ? 654 LEU A CA 1 ATOM 3639 C C . LEU A 1 572 ? 25.732 58.051 1.599 1.00 34.06 ? 654 LEU A C 1 ATOM 3640 O O . LEU A 1 572 ? 26.548 57.408 2.260 1.00 35.40 ? 654 LEU A O 1 ATOM 3641 C CB . LEU A 1 572 ? 24.937 59.578 3.415 1.00 40.79 ? 654 LEU A CB 1 ATOM 3642 C CG . LEU A 1 572 ? 24.046 60.781 3.748 1.00 48.47 ? 654 LEU A CG 1 ATOM 3643 C CD1 . LEU A 1 572 ? 22.619 60.366 4.085 1.00 42.18 ? 654 LEU A CD1 1 ATOM 3644 C CD2 . LEU A 1 572 ? 24.652 61.588 4.887 1.00 49.68 ? 654 LEU A CD2 1 ATOM 3645 N N . GLN A 1 573 ? 25.853 58.247 0.290 1.00 41.82 ? 655 GLN A N 1 ATOM 3646 C CA . GLN A 1 573 ? 26.929 57.640 -0.484 1.00 40.09 ? 655 GLN A CA 1 ATOM 3647 C C . GLN A 1 573 ? 28.141 58.561 -0.588 1.00 35.58 ? 655 GLN A C 1 ATOM 3648 O O . GLN A 1 573 ? 28.015 59.746 -0.893 1.00 35.30 ? 655 GLN A O 1 ATOM 3649 C CB . GLN A 1 573 ? 26.440 57.255 -1.881 1.00 39.86 ? 655 GLN A CB 1 ATOM 3650 C CG . GLN A 1 573 ? 27.476 56.500 -2.703 1.00 40.03 ? 655 GLN A CG 1 ATOM 3651 C CD . GLN A 1 573 ? 27.838 55.154 -2.095 1.00 46.24 ? 655 GLN A CD 1 ATOM 3652 O OE1 . GLN A 1 573 ? 28.787 55.048 -1.317 1.00 48.96 ? 655 GLN A OE1 1 ATOM 3653 N NE2 . GLN A 1 573 ? 27.082 54.120 -2.447 1.00 34.92 ? 655 GLN A NE2 1 ATOM 3654 N N . GLN A 1 574 ? 29.314 57.995 -0.330 1.00 40.02 ? 656 GLN A N 1 ATOM 3655 C CA . GLN A 1 574 ? 30.582 58.696 -0.485 1.00 43.29 ? 656 GLN A CA 1 ATOM 3656 C C . GLN A 1 574 ? 31.478 57.916 -1.441 1.00 46.62 ? 656 GLN A C 1 ATOM 3657 O O . GLN A 1 574 ? 31.057 56.907 -2.005 1.00 57.84 ? 656 GLN A O 1 ATOM 3658 C CB . GLN A 1 574 ? 31.275 58.884 0.868 1.00 47.90 ? 656 GLN A CB 1 ATOM 3659 C CG . GLN A 1 574 ? 30.617 59.913 1.779 1.00 48.15 ? 656 GLN A CG 1 ATOM 3660 C CD . GLN A 1 574 ? 29.339 59.405 2.416 1.00 51.68 ? 656 GLN A CD 1 ATOM 3661 O OE1 . GLN A 1 574 ? 28.442 60.184 2.737 1.00 57.60 ? 656 GLN A OE1 1 ATOM 3662 N NE2 . GLN A 1 574 ? 29.250 58.093 2.607 1.00 51.89 ? 656 GLN A NE2 1 ATOM 3663 N N . GLN A 1 575 ? 32.709 58.377 -1.629 1.00 38.05 ? 657 GLN A N 1 ATOM 3664 C CA . GLN A 1 575 ? 33.596 57.736 -2.591 1.00 39.50 ? 657 GLN A CA 1 ATOM 3665 C C . GLN A 1 575 ? 34.385 56.587 -1.970 1.00 38.55 ? 657 GLN A C 1 ATOM 3666 O O . GLN A 1 575 ? 34.984 55.783 -2.682 1.00 54.51 ? 657 GLN A O 1 ATOM 3667 C CB . GLN A 1 575 ? 34.542 58.765 -3.219 1.00 57.47 ? 657 GLN A CB 1 ATOM 3668 C CG . GLN A 1 575 ? 33.845 59.786 -4.108 1.00 77.71 ? 657 GLN A CG 1 ATOM 3669 C CD . GLN A 1 575 ? 34.801 60.808 -4.692 1.00 95.27 ? 657 GLN A CD 1 ATOM 3670 O OE1 . GLN A 1 575 ? 35.967 60.876 -4.305 1.00 101.73 ? 657 GLN A OE1 1 ATOM 3671 N NE2 . GLN A 1 575 ? 34.307 61.616 -5.624 1.00 99.50 ? 657 GLN A NE2 1 ATOM 3672 N N . GLN A 1 576 ? 34.396 56.518 -0.643 1.00 26.05 ? 658 GLN A N 1 ATOM 3673 C CA . GLN A 1 576 ? 35.124 55.464 0.057 1.00 24.71 ? 658 GLN A CA 1 ATOM 3674 C C . GLN A 1 576 ? 34.211 54.631 0.946 1.00 20.81 ? 658 GLN A C 1 ATOM 3675 O O . GLN A 1 576 ? 34.533 53.491 1.276 1.00 29.14 ? 658 GLN A O 1 ATOM 3676 C CB . GLN A 1 576 ? 36.258 56.049 0.895 1.00 38.71 ? 658 GLN A CB 1 ATOM 3677 C CG . GLN A 1 576 ? 37.348 56.703 0.071 1.00 43.53 ? 658 GLN A CG 1 ATOM 3678 C CD . GLN A 1 576 ? 38.269 55.681 -0.566 1.00 47.40 ? 658 GLN A CD 1 ATOM 3679 O OE1 . GLN A 1 576 ? 37.964 55.128 -1.622 1.00 49.46 ? 658 GLN A OE1 1 ATOM 3680 N NE2 . GLN A 1 576 ? 39.398 55.417 0.080 1.00 49.57 ? 658 GLN A NE2 1 ATOM 3681 N N . PHE A 1 577 ? 33.075 55.199 1.335 1.00 21.73 ? 659 PHE A N 1 ATOM 3682 C CA . PHE A 1 577 ? 32.165 54.503 2.236 1.00 31.87 ? 659 PHE A CA 1 ATOM 3683 C C . PHE A 1 577 ? 30.691 54.832 2.023 1.00 33.36 ? 659 PHE A C 1 ATOM 3684 O O . PHE A 1 577 ? 30.342 55.848 1.423 1.00 29.03 ? 659 PHE A O 1 ATOM 3685 C CB . PHE A 1 577 ? 32.556 54.779 3.693 1.00 36.85 ? 659 PHE A CB 1 ATOM 3686 C CG . PHE A 1 577 ? 32.389 56.216 4.110 1.00 35.33 ? 659 PHE A CG 1 ATOM 3687 C CD1 . PHE A 1 577 ? 33.378 57.147 3.837 1.00 41.42 ? 659 PHE A CD1 1 ATOM 3688 C CD2 . PHE A 1 577 ? 31.256 56.632 4.789 1.00 37.56 ? 659 PHE A CD2 1 ATOM 3689 C CE1 . PHE A 1 577 ? 33.235 58.468 4.221 1.00 47.82 ? 659 PHE A CE1 1 ATOM 3690 C CE2 . PHE A 1 577 ? 31.109 57.953 5.178 1.00 44.15 ? 659 PHE A CE2 1 ATOM 3691 C CZ . PHE A 1 577 ? 32.100 58.871 4.893 1.00 45.83 ? 659 PHE A CZ 1 ATOM 3692 N N . LEU A 1 578 ? 29.833 53.948 2.522 1.00 34.08 ? 660 LEU A N 1 ATOM 3693 C CA . LEU A 1 578 ? 28.394 54.165 2.517 1.00 32.08 ? 660 LEU A CA 1 ATOM 3694 C C . LEU A 1 578 ? 27.895 54.158 3.955 1.00 33.17 ? 660 LEU A C 1 ATOM 3695 O O . LEU A 1 578 ? 28.201 53.245 4.721 1.00 40.39 ? 660 LEU A O 1 ATOM 3696 C CB . LEU A 1 578 ? 27.685 53.075 1.713 1.00 32.71 ? 660 LEU A CB 1 ATOM 3697 C CG . LEU A 1 578 ? 26.155 53.126 1.708 1.00 30.22 ? 660 LEU A CG 1 ATOM 3698 C CD1 . LEU A 1 578 ? 25.653 54.383 1.012 1.00 29.94 ? 660 LEU A CD1 1 ATOM 3699 C CD2 . LEU A 1 578 ? 25.579 51.879 1.059 1.00 31.47 ? 660 LEU A CD2 1 ATOM 3700 N N . THR A 1 579 ? 27.130 55.180 4.320 1.00 26.64 ? 661 THR A N 1 ATOM 3701 C CA . THR A 1 579 ? 26.667 55.323 5.693 1.00 24.85 ? 661 THR A CA 1 ATOM 3702 C C . THR A 1 579 ? 25.146 55.416 5.788 1.00 33.82 ? 661 THR A C 1 ATOM 3703 O O . THR A 1 579 ? 24.507 56.156 5.038 1.00 34.00 ? 661 THR A O 1 ATOM 3704 C CB . THR A 1 579 ? 27.321 56.534 6.393 1.00 20.85 ? 661 THR A CB 1 ATOM 3705 O OG1 . THR A 1 579 ? 26.653 56.790 7.634 1.00 29.03 ? 661 THR A OG1 1 ATOM 3706 C CG2 . THR A 1 579 ? 27.239 57.771 5.518 1.00 19.45 ? 661 THR A CG2 1 ATOM 3707 N N . GLY A 1 580 ? 24.575 54.648 6.710 1.00 31.20 ? 662 GLY A N 1 ATOM 3708 C CA . GLY A 1 580 ? 23.154 54.715 6.984 1.00 29.13 ? 662 GLY A CA 1 ATOM 3709 C C . GLY A 1 580 ? 22.875 55.730 8.075 1.00 42.81 ? 662 GLY A C 1 ATOM 3710 O O . GLY A 1 580 ? 23.148 55.488 9.251 1.00 43.08 ? 662 GLY A O 1 ATOM 3711 N N . TYR A 1 581 ? 22.324 56.872 7.679 1.00 49.18 ? 663 TYR A N 1 ATOM 3712 C CA . TYR A 1 581 ? 22.102 57.977 8.602 1.00 44.68 ? 663 TYR A CA 1 ATOM 3713 C C . TYR A 1 581 ? 20.687 57.984 9.160 1.00 49.27 ? 663 TYR A C 1 ATOM 3714 O O . TYR A 1 581 ? 19.723 57.716 8.443 1.00 43.85 ? 663 TYR A O 1 ATOM 3715 C CB . TYR A 1 581 ? 22.399 59.313 7.921 1.00 41.84 ? 663 TYR A CB 1 ATOM 3716 C CG . TYR A 1 581 ? 22.615 60.452 8.888 1.00 44.24 ? 663 TYR A CG 1 ATOM 3717 C CD1 . TYR A 1 581 ? 23.868 60.702 9.429 1.00 50.13 ? 663 TYR A CD1 1 ATOM 3718 C CD2 . TYR A 1 581 ? 21.562 61.276 9.263 1.00 40.77 ? 663 TYR A CD2 1 ATOM 3719 C CE1 . TYR A 1 581 ? 24.068 61.742 10.314 1.00 54.28 ? 663 TYR A CE1 1 ATOM 3720 C CE2 . TYR A 1 581 ? 21.752 62.317 10.146 1.00 41.88 ? 663 TYR A CE2 1 ATOM 3721 C CZ . TYR A 1 581 ? 23.006 62.546 10.669 1.00 47.40 ? 663 TYR A CZ 1 ATOM 3722 O OH . TYR A 1 581 ? 23.201 63.585 11.550 1.00 50.29 ? 663 TYR A OH 1 ATOM 3723 N N . SER A 1 582 ? 20.572 58.301 10.445 1.00 54.06 ? 664 SER A N 1 ATOM 3724 C CA . SER A 1 582 ? 19.275 58.350 11.102 1.00 50.45 ? 664 SER A CA 1 ATOM 3725 C C . SER A 1 582 ? 18.757 59.778 11.194 1.00 54.79 ? 664 SER A C 1 ATOM 3726 O O . SER A 1 582 ? 19.465 60.675 11.646 1.00 50.13 ? 664 SER A O 1 ATOM 3727 C CB . SER A 1 582 ? 19.369 57.744 12.502 1.00 47.38 ? 664 SER A CB 1 ATOM 3728 O OG . SER A 1 582 ? 18.163 57.937 13.218 1.00 49.65 ? 664 SER A OG 1 ATOM 3729 N N . LEU A 1 583 ? 17.520 59.983 10.756 1.00 68.35 ? 665 LEU A N 1 ATOM 3730 C CA . LEU A 1 583 ? 16.892 61.298 10.824 1.00 71.59 ? 665 LEU A CA 1 ATOM 3731 C C . LEU A 1 583 ? 16.242 61.532 12.183 1.00 72.48 ? 665 LEU A C 1 ATOM 3732 O O . LEU A 1 583 ? 16.082 62.674 12.614 1.00 77.95 ? 665 LEU A O 1 ATOM 3733 C CB . LEU A 1 583 ? 15.858 61.469 9.707 1.00 64.51 ? 665 LEU A CB 1 ATOM 3734 C CG . LEU A 1 583 ? 16.343 61.930 8.325 1.00 52.29 ? 665 LEU A CG 1 ATOM 3735 C CD1 . LEU A 1 583 ? 17.728 61.401 7.972 1.00 44.02 ? 665 LEU A CD1 1 ATOM 3736 C CD2 . LEU A 1 583 ? 15.336 61.538 7.253 1.00 54.89 ? 665 LEU A CD2 1 ATOM 3737 N N . ASP A 1 584 ? 15.863 60.445 12.852 1.00 61.31 ? 666 ASP A N 1 ATOM 3738 C CA . ASP A 1 584 ? 15.214 60.546 14.154 1.00 56.92 ? 666 ASP A CA 1 ATOM 3739 C C . ASP A 1 584 ? 16.211 60.780 15.285 1.00 55.54 ? 666 ASP A C 1 ATOM 3740 O O . ASP A 1 584 ? 15.860 61.343 16.320 1.00 68.13 ? 666 ASP A O 1 ATOM 3741 C CB . ASP A 1 584 ? 14.396 59.282 14.443 1.00 58.84 ? 666 ASP A CB 1 ATOM 3742 C CG . ASP A 1 584 ? 13.293 59.055 13.426 1.00 62.38 ? 666 ASP A CG 1 ATOM 3743 O OD1 . ASP A 1 584 ? 12.794 60.047 12.856 1.00 70.50 ? 666 ASP A OD1 1 ATOM 3744 O OD2 . ASP A 1 584 ? 12.928 57.882 13.192 1.00 50.96 ? 666 ASP A OD2 1 ATOM 3745 N N . LEU A 1 585 ? 17.453 60.352 15.085 1.00 42.84 ? 667 LEU A N 1 ATOM 3746 C CA . LEU A 1 585 ? 18.484 60.503 16.108 1.00 44.91 ? 667 LEU A CA 1 ATOM 3747 C C . LEU A 1 585 ? 19.551 61.504 15.679 1.00 55.23 ? 667 LEU A C 1 ATOM 3748 O O . LEU A 1 585 ? 20.373 61.934 16.488 1.00 58.39 ? 667 LEU A O 1 ATOM 3749 C CB . LEU A 1 585 ? 19.129 59.151 16.427 1.00 42.83 ? 667 LEU A CB 1 ATOM 3750 C CG . LEU A 1 585 ? 18.492 58.298 17.529 1.00 39.98 ? 667 LEU A CG 1 ATOM 3751 C CD1 . LEU A 1 585 ? 17.065 57.904 17.188 1.00 34.64 ? 667 LEU A CD1 1 ATOM 3752 C CD2 . LEU A 1 585 ? 19.343 57.065 17.800 1.00 42.05 ? 667 LEU A CD2 1 ATOM 3753 N N . LEU A 1 586 ? 19.522 61.866 14.399 1.00 56.64 ? 668 LEU A N 1 ATOM 3754 C CA . LEU A 1 586 ? 20.501 62.775 13.804 1.00 55.13 ? 668 LEU A CA 1 ATOM 3755 C C . LEU A 1 586 ? 21.949 62.322 14.002 1.00 51.30 ? 668 LEU A C 1 ATOM 3756 O O . LEU A 1 586 ? 22.792 63.090 14.468 1.00 51.24 ? 668 LEU A O 1 ATOM 3757 C CB . LEU A 1 586 ? 20.313 64.202 14.323 1.00 55.39 ? 668 LEU A CB 1 ATOM 3758 C CG . LEU A 1 586 ? 18.979 64.834 13.922 1.00 52.86 ? 668 LEU A CG 1 ATOM 3759 C CD1 . LEU A 1 586 ? 18.928 66.304 14.310 1.00 56.98 ? 668 LEU A CD1 1 ATOM 3760 C CD2 . LEU A 1 586 ? 18.721 64.645 12.436 1.00 42.63 ? 668 LEU A CD2 1 HETATM 3761 N N . MSE A 1 587 ? 22.223 61.071 13.639 1.00 45.28 ? 669 MSE A N 1 HETATM 3762 C CA . MSE A 1 587 ? 23.573 60.515 13.683 1.00 47.85 ? 669 MSE A CA 1 HETATM 3763 C C . MSE A 1 587 ? 23.625 59.215 12.881 1.00 39.12 ? 669 MSE A C 1 HETATM 3764 O O . MSE A 1 587 ? 22.597 58.567 12.685 1.00 31.54 ? 669 MSE A O 1 HETATM 3765 C CB . MSE A 1 587 ? 24.020 60.280 15.129 1.00 57.94 ? 669 MSE A CB 1 HETATM 3766 C CG . MSE A 1 587 ? 23.208 59.253 15.890 1.00 60.24 ? 669 MSE A CG 1 HETATM 3767 SE SE . MSE A 1 587 ? 23.993 58.925 17.640 1.00 137.86 ? 669 MSE A SE 1 HETATM 3768 C CE . MSE A 1 587 ? 24.069 60.762 18.290 1.00 76.81 ? 669 MSE A CE 1 ATOM 3769 N N . PRO A 1 588 ? 24.822 58.831 12.403 1.00 36.97 ? 670 PRO A N 1 ATOM 3770 C CA . PRO A 1 588 ? 24.916 57.619 11.581 1.00 36.80 ? 670 PRO A CA 1 ATOM 3771 C C . PRO A 1 588 ? 24.649 56.346 12.378 1.00 29.80 ? 670 PRO A C 1 ATOM 3772 O O . PRO A 1 588 ? 25.180 56.179 13.474 1.00 28.49 ? 670 PRO A O 1 ATOM 3773 C CB . PRO A 1 588 ? 26.373 57.639 11.105 1.00 40.48 ? 670 PRO A CB 1 ATOM 3774 C CG . PRO A 1 588 ? 27.096 58.443 12.130 1.00 22.56 ? 670 PRO A CG 1 ATOM 3775 C CD . PRO A 1 588 ? 26.126 59.504 12.543 1.00 35.23 ? 670 PRO A CD 1 ATOM 3776 N N . LEU A 1 589 ? 23.830 55.459 11.822 1.00 30.01 ? 671 LEU A N 1 ATOM 3777 C CA . LEU A 1 589 ? 23.562 54.171 12.448 1.00 34.10 ? 671 LEU A CA 1 ATOM 3778 C C . LEU A 1 589 ? 24.682 53.183 12.140 1.00 36.19 ? 671 LEU A C 1 ATOM 3779 O O . LEU A 1 589 ? 25.104 52.417 13.006 1.00 41.00 ? 671 LEU A O 1 ATOM 3780 C CB . LEU A 1 589 ? 22.219 53.609 11.976 1.00 29.16 ? 671 LEU A CB 1 ATOM 3781 C CG . LEU A 1 589 ? 20.972 54.381 12.411 1.00 35.14 ? 671 LEU A CG 1 ATOM 3782 C CD1 . LEU A 1 589 ? 19.712 53.682 11.928 1.00 37.01 ? 671 LEU A CD1 1 ATOM 3783 C CD2 . LEU A 1 589 ? 20.946 54.553 13.922 1.00 42.69 ? 671 LEU A CD2 1 ATOM 3784 N N . TRP A 1 590 ? 25.157 53.207 10.899 1.00 24.43 ? 672 TRP A N 1 ATOM 3785 C CA . TRP A 1 590 ? 26.247 52.336 10.479 1.00 27.73 ? 672 TRP A CA 1 ATOM 3786 C C . TRP A 1 590 ? 27.044 52.955 9.338 1.00 37.37 ? 672 TRP A C 1 ATOM 3787 O O . TRP A 1 590 ? 26.538 53.801 8.601 1.00 28.03 ? 672 TRP A O 1 ATOM 3788 C CB . TRP A 1 590 ? 25.717 50.962 10.058 1.00 28.35 ? 672 TRP A CB 1 ATOM 3789 C CG . TRP A 1 590 ? 24.640 51.019 9.015 1.00 32.51 ? 672 TRP A CG 1 ATOM 3790 C CD1 . TRP A 1 590 ? 23.291 50.989 9.225 1.00 32.13 ? 672 TRP A CD1 1 ATOM 3791 C CD2 . TRP A 1 590 ? 24.822 51.109 7.595 1.00 30.62 ? 672 TRP A CD2 1 ATOM 3792 N NE1 . TRP A 1 590 ? 22.623 51.060 8.026 1.00 27.14 ? 672 TRP A NE1 1 ATOM 3793 C CE2 . TRP A 1 590 ? 23.540 51.133 7.010 1.00 30.94 ? 672 TRP A CE2 1 ATOM 3794 C CE3 . TRP A 1 590 ? 25.944 51.172 6.762 1.00 24.80 ? 672 TRP A CE3 1 ATOM 3795 C CZ2 . TRP A 1 590 ? 23.349 51.218 5.633 1.00 34.34 ? 672 TRP A CZ2 1 ATOM 3796 C CZ3 . TRP A 1 590 ? 25.752 51.257 5.396 1.00 24.69 ? 672 TRP A CZ3 1 ATOM 3797 C CH2 . TRP A 1 590 ? 24.464 51.280 4.845 1.00 31.62 ? 672 TRP A CH2 1 ATOM 3798 N N . ALA A 1 591 ? 28.295 52.528 9.198 1.00 44.90 ? 673 ALA A N 1 ATOM 3799 C CA . ALA A 1 591 ? 29.143 52.985 8.106 1.00 43.92 ? 673 ALA A CA 1 ATOM 3800 C C . ALA A 1 591 ? 29.969 51.821 7.574 1.00 38.86 ? 673 ALA A C 1 ATOM 3801 O O . ALA A 1 591 ? 30.766 51.233 8.303 1.00 45.06 ? 673 ALA A O 1 ATOM 3802 C CB . ALA A 1 591 ? 30.049 54.115 8.572 1.00 20.18 ? 673 ALA A CB 1 ATOM 3803 N N . SER A 1 592 ? 29.777 51.495 6.301 1.00 27.54 ? 674 SER A N 1 ATOM 3804 C CA . SER A 1 592 ? 30.472 50.368 5.695 1.00 23.17 ? 674 SER A CA 1 ATOM 3805 C C . SER A 1 592 ? 31.518 50.824 4.683 1.00 31.09 ? 674 SER A C 1 ATOM 3806 O O . SER A 1 592 ? 31.262 51.708 3.866 1.00 31.92 ? 674 SER A O 1 ATOM 3807 C CB . SER A 1 592 ? 29.472 49.423 5.029 1.00 26.50 ? 674 SER A CB 1 ATOM 3808 O OG . SER A 1 592 ? 30.120 48.284 4.492 1.00 28.27 ? 674 SER A OG 1 ATOM 3809 N N . TYR A 1 593 ? 32.696 50.211 4.740 1.00 29.72 ? 675 TYR A N 1 ATOM 3810 C CA . TYR A 1 593 ? 33.768 50.529 3.805 1.00 26.71 ? 675 TYR A CA 1 ATOM 3811 C C . TYR A 1 593 ? 34.708 49.344 3.640 1.00 29.03 ? 675 TYR A C 1 ATOM 3812 O O . TYR A 1 593 ? 34.756 48.455 4.490 1.00 32.86 ? 675 TYR A O 1 ATOM 3813 C CB . TYR A 1 593 ? 34.543 51.766 4.268 1.00 27.45 ? 675 TYR A CB 1 ATOM 3814 C CG . TYR A 1 593 ? 35.267 51.606 5.588 1.00 41.94 ? 675 TYR A CG 1 ATOM 3815 C CD1 . TYR A 1 593 ? 34.620 51.847 6.793 1.00 49.18 ? 675 TYR A CD1 1 ATOM 3816 C CD2 . TYR A 1 593 ? 36.605 51.229 5.629 1.00 44.38 ? 675 TYR A CD2 1 ATOM 3817 C CE1 . TYR A 1 593 ? 35.281 51.708 8.000 1.00 43.94 ? 675 TYR A CE1 1 ATOM 3818 C CE2 . TYR A 1 593 ? 37.273 51.086 6.831 1.00 39.14 ? 675 TYR A CE2 1 ATOM 3819 C CZ . TYR A 1 593 ? 36.607 51.329 8.013 1.00 38.36 ? 675 TYR A CZ 1 ATOM 3820 O OH . TYR A 1 593 ? 37.270 51.188 9.212 1.00 31.36 ? 675 TYR A OH 1 ATOM 3821 N N . THR A 1 594 ? 35.456 49.330 2.541 1.00 33.70 ? 676 THR A N 1 ATOM 3822 C CA . THR A 1 594 ? 36.396 48.247 2.288 1.00 32.98 ? 676 THR A CA 1 ATOM 3823 C C . THR A 1 594 ? 37.827 48.759 2.388 1.00 36.44 ? 676 THR A C 1 ATOM 3824 O O . THR A 1 594 ? 38.200 49.724 1.720 1.00 42.26 ? 676 THR A O 1 ATOM 3825 C CB . THR A 1 594 ? 36.171 47.594 0.908 1.00 26.09 ? 676 THR A CB 1 ATOM 3826 O OG1 . THR A 1 594 ? 34.857 47.027 0.849 1.00 18.53 ? 676 THR A OG1 1 ATOM 3827 C CG2 . THR A 1 594 ? 37.198 46.505 0.655 1.00 18.72 ? 676 THR A CG2 1 ATOM 3828 N N . PHE A 1 595 ? 38.624 48.105 3.228 1.00 36.97 ? 677 PHE A N 1 ATOM 3829 C CA . PHE A 1 595 ? 40.014 48.492 3.424 1.00 43.90 ? 677 PHE A CA 1 ATOM 3830 C C . PHE A 1 595 ? 40.951 47.424 2.878 1.00 43.76 ? 677 PHE A C 1 ATOM 3831 O O . PHE A 1 595 ? 41.012 46.318 3.413 1.00 39.56 ? 677 PHE A O 1 ATOM 3832 C CB . PHE A 1 595 ? 40.270 48.719 4.917 1.00 47.60 ? 677 PHE A CB 1 ATOM 3833 C CG . PHE A 1 595 ? 41.649 49.222 5.235 1.00 48.00 ? 677 PHE A CG 1 ATOM 3834 C CD1 . PHE A 1 595 ? 42.005 50.530 4.961 1.00 53.59 ? 677 PHE A CD1 1 ATOM 3835 C CD2 . PHE A 1 595 ? 42.584 48.389 5.822 1.00 50.46 ? 677 PHE A CD2 1 ATOM 3836 C CE1 . PHE A 1 595 ? 43.270 50.996 5.257 1.00 54.63 ? 677 PHE A CE1 1 ATOM 3837 C CE2 . PHE A 1 595 ? 43.850 48.849 6.121 1.00 56.68 ? 677 PHE A CE2 1 ATOM 3838 C CZ . PHE A 1 595 ? 44.194 50.154 5.838 1.00 56.98 ? 677 PHE A CZ 1 ATOM 3839 N N . LEU A 1 596 ? 41.688 47.750 1.821 1.00 51.22 ? 678 LEU A N 1 ATOM 3840 C CA . LEU A 1 596 ? 42.530 46.748 1.176 1.00 57.82 ? 678 LEU A CA 1 ATOM 3841 C C . LEU A 1 596 ? 43.876 46.549 1.869 1.00 75.88 ? 678 LEU A C 1 ATOM 3842 O O . LEU A 1 596 ? 44.183 47.197 2.871 1.00 83.38 ? 678 LEU A O 1 ATOM 3843 C CB . LEU A 1 596 ? 42.726 47.058 -0.314 1.00 44.36 ? 678 LEU A CB 1 ATOM 3844 C CG . LEU A 1 596 ? 41.531 46.891 -1.258 1.00 41.33 ? 678 LEU A CG 1 ATOM 3845 C CD1 . LEU A 1 596 ? 40.599 48.094 -1.211 1.00 49.90 ? 678 LEU A CD1 1 ATOM 3846 C CD2 . LEU A 1 596 ? 42.007 46.623 -2.680 1.00 47.16 ? 678 LEU A CD2 1 ATOM 3847 N N . SER A 1 597 ? 44.668 45.639 1.309 1.00 82.83 ? 679 SER A N 1 ATOM 3848 C CA . SER A 1 597 ? 45.950 45.236 1.875 1.00 90.41 ? 679 SER A CA 1 ATOM 3849 C C . SER A 1 597 ? 46.926 46.406 1.929 1.00 95.89 ? 679 SER A C 1 ATOM 3850 O O . SER A 1 597 ? 47.604 46.623 2.931 1.00 96.26 ? 679 SER A O 1 ATOM 3851 C CB . SER A 1 597 ? 46.556 44.089 1.066 1.00 96.65 ? 679 SER A CB 1 ATOM 3852 O OG . SER A 1 597 ? 46.787 44.480 -0.275 1.00 105.78 ? 679 SER A OG 1 ATOM 3853 N N . ASN A 1 598 ? 46.976 47.163 0.838 1.00 98.09 ? 680 ASN A N 1 ATOM 3854 C CA . ASN A 1 598 ? 47.841 48.333 0.740 1.00 101.37 ? 680 ASN A CA 1 ATOM 3855 C C . ASN A 1 598 ? 47.232 49.466 -0.080 1.00 102.77 ? 680 ASN A C 1 ATOM 3856 O O . ASN A 1 598 ? 47.315 49.478 -1.309 1.00 102.93 ? 680 ASN A O 1 ATOM 3857 C CB . ASN A 1 598 ? 49.211 47.953 0.170 1.00 102.43 ? 680 ASN A CB 1 ATOM 3858 N N . ASP A 1 599 ? 46.613 50.411 0.622 1.00 103.29 ? 681 ASP A N 1 ATOM 3859 C CA . ASP A 1 599 ? 46.003 51.582 0.004 1.00 98.16 ? 681 ASP A CA 1 ATOM 3860 C C . ASP A 1 599 ? 45.836 52.699 1.029 1.00 98.59 ? 681 ASP A C 1 ATOM 3861 O O . ASP A 1 599 ? 46.063 52.498 2.222 1.00 97.89 ? 681 ASP A O 1 ATOM 3862 C CB . ASP A 1 599 ? 44.651 51.229 -0.615 1.00 91.64 ? 681 ASP A CB 1 ATOM 3863 C CG . ASP A 1 599 ? 43.694 50.624 0.394 1.00 88.89 ? 681 ASP A CG 1 ATOM 3864 O OD1 . ASP A 1 599 ? 44.170 49.958 1.338 1.00 94.06 ? 681 ASP A OD1 1 ATOM 3865 O OD2 . ASP A 1 599 ? 42.469 50.825 0.252 1.00 81.21 ? 681 ASP A OD2 1 ATOM 3866 N N . SER A 1 607 ? 42.060 67.185 12.209 1.00 64.55 ? 689 SER A N 1 ATOM 3867 C CA . SER A 1 607 ? 42.117 67.376 13.647 1.00 71.04 ? 689 SER A CA 1 ATOM 3868 C C . SER A 1 607 ? 41.575 68.774 13.955 1.00 81.57 ? 689 SER A C 1 ATOM 3869 O O . SER A 1 607 ? 42.259 69.751 13.677 1.00 87.83 ? 689 SER A O 1 ATOM 3870 C CB . SER A 1 607 ? 43.576 67.276 14.100 1.00 66.94 ? 689 SER A CB 1 ATOM 3871 O OG . SER A 1 607 ? 44.155 66.043 13.667 1.00 53.65 ? 689 SER A OG 1 ATOM 3872 N N . ASN A 1 608 ? 40.358 68.836 14.506 1.00 79.72 ? 690 ASN A N 1 ATOM 3873 C CA . ASN A 1 608 ? 39.654 70.071 14.891 1.00 75.78 ? 690 ASN A CA 1 ATOM 3874 C C . ASN A 1 608 ? 39.085 70.753 13.609 1.00 69.78 ? 690 ASN A C 1 ATOM 3875 O O . ASN A 1 608 ? 38.394 71.788 13.652 1.00 73.06 ? 690 ASN A O 1 ATOM 3876 C CB . ASN A 1 608 ? 40.612 71.009 15.719 1.00 97.99 ? 690 ASN A CB 1 ATOM 3877 C CG . ASN A 1 608 ? 40.341 72.508 15.520 1.00 94.87 ? 690 ASN A CG 1 ATOM 3878 O OD1 . ASN A 1 608 ? 41.257 73.303 15.225 1.00 99.37 ? 690 ASN A OD1 1 ATOM 3879 N ND2 . ASN A 1 608 ? 39.081 72.890 15.643 1.00 86.13 ? 690 ASN A ND2 1 ATOM 3880 N N . CYS A 1 609 ? 39.224 70.062 12.479 1.00 70.42 ? 691 CYS A N 1 ATOM 3881 C CA . CYS A 1 609 ? 38.692 70.557 11.204 1.00 70.95 ? 691 CYS A CA 1 ATOM 3882 C C . CYS A 1 609 ? 37.522 69.650 10.788 1.00 61.90 ? 691 CYS A C 1 ATOM 3883 O O . CYS A 1 609 ? 37.633 68.435 10.946 1.00 57.83 ? 691 CYS A O 1 ATOM 3884 C CB . CYS A 1 609 ? 39.756 70.580 10.108 1.00 73.68 ? 691 CYS A CB 1 ATOM 3885 S SG . CYS A 1 609 ? 39.101 70.796 8.422 1.00 80.42 ? 691 CYS A SG 1 ATOM 3886 N N . LEU A 1 610 ? 36.453 70.189 10.197 1.00 58.83 ? 692 LEU A N 1 ATOM 3887 C CA . LEU A 1 610 ? 35.314 69.381 9.732 1.00 50.70 ? 692 LEU A CA 1 ATOM 3888 C C . LEU A 1 610 ? 34.547 70.047 8.599 1.00 57.34 ? 692 LEU A C 1 ATOM 3889 O O . LEU A 1 610 ? 34.579 71.272 8.468 1.00 65.06 ? 692 LEU A O 1 ATOM 3890 C CB . LEU A 1 610 ? 34.334 69.092 10.879 1.00 52.92 ? 692 LEU A CB 1 ATOM 3891 C CG . LEU A 1 610 ? 34.729 68.014 11.893 1.00 67.49 ? 692 LEU A CG 1 ATOM 3892 C CD1 . LEU A 1 610 ? 33.887 68.097 13.181 1.00 29.15 ? 692 LEU A CD1 1 ATOM 3893 C CD2 . LEU A 1 610 ? 34.657 66.651 11.246 1.00 73.67 ? 692 LEU A CD2 1 ATOM 3894 N N . TYR A 1 611 ? 33.854 69.243 7.791 1.00 62.04 ? 693 TYR A N 1 ATOM 3895 C CA . TYR A 1 611 ? 33.039 69.735 6.682 1.00 59.25 ? 693 TYR A CA 1 ATOM 3896 C C . TYR A 1 611 ? 31.562 69.386 6.874 1.00 46.01 ? 693 TYR A C 1 ATOM 3897 O O . TYR A 1 611 ? 31.223 68.266 7.251 1.00 43.28 ? 693 TYR A O 1 ATOM 3898 C CB . TYR A 1 611 ? 33.533 69.166 5.348 1.00 57.04 ? 693 TYR A CB 1 ATOM 3899 C CG . TYR A 1 611 ? 34.882 69.706 4.938 1.00 62.21 ? 693 TYR A CG 1 ATOM 3900 C CD1 . TYR A 1 611 ? 34.980 70.877 4.204 1.00 70.93 ? 693 TYR A CD1 1 ATOM 3901 C CD2 . TYR A 1 611 ? 36.054 69.053 5.295 1.00 65.50 ? 693 TYR A CD2 1 ATOM 3902 C CE1 . TYR A 1 611 ? 36.204 71.388 3.827 1.00 78.28 ? 693 TYR A CE1 1 ATOM 3903 C CE2 . TYR A 1 611 ? 37.288 69.557 4.922 1.00 72.43 ? 693 TYR A CE2 1 ATOM 3904 C CZ . TYR A 1 611 ? 37.355 70.724 4.189 1.00 80.86 ? 693 TYR A CZ 1 ATOM 3905 O OH . TYR A 1 611 ? 38.582 71.226 3.819 1.00 88.76 ? 693 TYR A OH 1 ATOM 3906 N N . GLN A 1 612 ? 30.697 70.357 6.605 1.00 34.62 ? 694 GLN A N 1 ATOM 3907 C CA . GLN A 1 612 ? 29.257 70.207 6.786 1.00 35.10 ? 694 GLN A CA 1 ATOM 3908 C C . GLN A 1 612 ? 28.596 69.360 5.699 1.00 34.95 ? 694 GLN A C 1 ATOM 3909 O O . GLN A 1 612 ? 28.723 69.657 4.514 1.00 43.14 ? 694 GLN A O 1 ATOM 3910 C CB . GLN A 1 612 ? 28.577 71.579 6.845 1.00 43.37 ? 694 GLN A CB 1 ATOM 3911 C CG . GLN A 1 612 ? 27.067 71.509 7.039 1.00 48.37 ? 694 GLN A CG 1 ATOM 3912 C CD . GLN A 1 612 ? 26.407 72.875 7.017 1.00 54.07 ? 694 GLN A CD 1 ATOM 3913 O OE1 . GLN A 1 612 ? 26.991 73.849 6.544 1.00 56.67 ? 694 GLN A OE1 1 ATOM 3914 N NE2 . GLN A 1 612 ? 25.183 72.952 7.529 1.00 52.05 ? 694 GLN A NE2 1 ATOM 3915 N N . ASP A 1 613 ? 27.899 68.303 6.104 1.00 40.18 ? 695 ASP A N 1 ATOM 3916 C CA . ASP A 1 613 ? 27.160 67.472 5.159 1.00 47.37 ? 695 ASP A CA 1 ATOM 3917 C C . ASP A 1 613 ? 25.827 68.142 4.843 1.00 43.10 ? 695 ASP A C 1 ATOM 3918 O O . ASP A 1 613 ? 24.921 68.168 5.675 1.00 44.42 ? 695 ASP A O 1 ATOM 3919 C CB . ASP A 1 613 ? 26.930 66.070 5.730 1.00 50.74 ? 695 ASP A CB 1 ATOM 3920 C CG . ASP A 1 613 ? 26.575 65.051 4.656 1.00 47.81 ? 695 ASP A CG 1 ATOM 3921 O OD1 . ASP A 1 613 ? 25.907 65.419 3.667 1.00 38.15 ? 695 ASP A OD1 1 ATOM 3922 O OD2 . ASP A 1 613 ? 26.969 63.875 4.798 1.00 50.52 ? 695 ASP A OD2 1 ATOM 3923 N N . LEU A 1 614 ? 25.720 68.688 3.636 1.00 40.34 ? 696 LEU A N 1 ATOM 3924 C CA . LEU A 1 614 ? 24.551 69.465 3.234 1.00 46.51 ? 696 LEU A CA 1 ATOM 3925 C C . LEU A 1 614 ? 23.301 68.607 3.050 1.00 45.49 ? 696 LEU A C 1 ATOM 3926 O O . LEU A 1 614 ? 22.208 69.126 2.829 1.00 49.31 ? 696 LEU A O 1 ATOM 3927 C CB . LEU A 1 614 ? 24.853 70.240 1.945 1.00 55.79 ? 696 LEU A CB 1 ATOM 3928 C CG . LEU A 1 614 ? 25.558 71.597 1.989 1.00 61.26 ? 696 LEU A CG 1 ATOM 3929 C CD1 . LEU A 1 614 ? 26.841 71.553 2.796 1.00 57.35 ? 696 LEU A CD1 1 ATOM 3930 C CD2 . LEU A 1 614 ? 25.873 72.031 0.566 1.00 69.77 ? 696 LEU A CD2 1 ATOM 3931 N N . ARG A 1 615 ? 23.475 67.293 3.144 1.00 42.22 ? 697 ARG A N 1 ATOM 3932 C CA . ARG A 1 615 ? 22.373 66.353 2.982 1.00 45.42 ? 697 ARG A CA 1 ATOM 3933 C C . ARG A 1 615 ? 21.630 66.123 4.295 1.00 44.63 ? 697 ARG A C 1 ATOM 3934 O O . ARG A 1 615 ? 20.483 65.675 4.301 1.00 42.51 ? 697 ARG A O 1 ATOM 3935 C CB . ARG A 1 615 ? 22.877 65.024 2.418 1.00 40.99 ? 697 ARG A CB 1 ATOM 3936 C CG . ARG A 1 615 ? 23.429 65.130 1.007 1.00 40.14 ? 697 ARG A CG 1 ATOM 3937 C CD . ARG A 1 615 ? 24.116 63.846 0.580 1.00 41.97 ? 697 ARG A CD 1 ATOM 3938 N NE . ARG A 1 615 ? 25.249 63.520 1.440 1.00 45.90 ? 697 ARG A NE 1 ATOM 3939 C CZ . ARG A 1 615 ? 26.108 62.536 1.199 1.00 44.05 ? 697 ARG A CZ 1 ATOM 3940 N NH1 . ARG A 1 615 ? 25.966 61.778 0.119 1.00 40.05 ? 697 ARG A NH1 1 ATOM 3941 N NH2 . ARG A 1 615 ? 27.110 62.309 2.038 1.00 34.68 ? 697 ARG A NH2 1 ATOM 3942 N N . ILE A 1 616 ? 22.286 66.439 5.407 1.00 36.17 ? 698 ILE A N 1 ATOM 3943 C CA . ILE A 1 616 ? 21.676 66.257 6.718 1.00 40.33 ? 698 ILE A CA 1 ATOM 3944 C C . ILE A 1 616 ? 21.394 67.585 7.414 1.00 48.67 ? 698 ILE A C 1 ATOM 3945 O O . ILE A 1 616 ? 22.101 68.570 7.197 1.00 51.57 ? 698 ILE A O 1 ATOM 3946 C CB . ILE A 1 616 ? 22.568 65.381 7.637 1.00 52.92 ? 698 ILE A CB 1 ATOM 3947 C CG1 . ILE A 1 616 ? 23.891 66.088 7.943 1.00 52.49 ? 698 ILE A CG1 1 ATOM 3948 C CG2 . ILE A 1 616 ? 22.807 64.018 7.008 1.00 45.34 ? 698 ILE A CG2 1 ATOM 3949 C CD1 . ILE A 1 616 ? 24.756 65.364 8.945 1.00 25.93 ? 698 ILE A CD1 1 ATOM 3950 N N . PRO A 1 617 ? 20.342 67.617 8.248 1.00 45.98 ? 699 PRO A N 1 ATOM 3951 C CA . PRO A 1 617 ? 19.985 68.800 9.036 1.00 43.74 ? 699 PRO A CA 1 ATOM 3952 C C . PRO A 1 617 ? 21.069 69.145 10.049 1.00 51.95 ? 699 PRO A C 1 ATOM 3953 O O . PRO A 1 617 ? 21.681 68.248 10.627 1.00 53.07 ? 699 PRO A O 1 ATOM 3954 C CB . PRO A 1 617 ? 18.696 68.375 9.749 1.00 38.91 ? 699 PRO A CB 1 ATOM 3955 C CG . PRO A 1 617 ? 18.707 66.896 9.717 1.00 37.62 ? 699 PRO A CG 1 ATOM 3956 C CD . PRO A 1 617 ? 19.366 66.530 8.432 1.00 42.09 ? 699 PRO A CD 1 ATOM 3957 N N . LEU A 1 618 ? 21.302 70.436 10.253 1.00 55.54 ? 700 LEU A N 1 ATOM 3958 C CA . LEU A 1 618 ? 22.354 70.894 11.149 1.00 52.94 ? 700 LEU A CA 1 ATOM 3959 C C . LEU A 1 618 ? 21.995 70.742 12.619 1.00 51.02 ? 700 LEU A C 1 ATOM 3960 O O . LEU A 1 618 ? 20.875 71.045 13.032 1.00 55.90 ? 700 LEU A O 1 ATOM 3961 C CB . LEU A 1 618 ? 22.693 72.358 10.871 1.00 54.18 ? 700 LEU A CB 1 ATOM 3962 C CG . LEU A 1 618 ? 23.841 72.913 11.719 1.00 48.50 ? 700 LEU A CG 1 ATOM 3963 C CD1 . LEU A 1 618 ? 25.195 72.386 11.257 1.00 38.90 ? 700 LEU A CD1 1 ATOM 3964 C CD2 . LEU A 1 618 ? 23.807 74.432 11.793 1.00 54.58 ? 700 LEU A CD2 1 ATOM 3965 N N . SER A 1 619 ? 22.953 70.264 13.404 1.00 52.60 ? 701 SER A N 1 ATOM 3966 C CA . SER A 1 619 ? 22.770 70.150 14.841 1.00 58.00 ? 701 SER A CA 1 ATOM 3967 C C . SER A 1 619 ? 23.881 70.948 15.513 1.00 61.91 ? 701 SER A C 1 ATOM 3968 O O . SER A 1 619 ? 24.996 71.016 14.995 1.00 66.42 ? 701 SER A O 1 ATOM 3969 C CB . SER A 1 619 ? 22.808 68.686 15.282 1.00 56.19 ? 701 SER A CB 1 ATOM 3970 O OG . SER A 1 619 ? 22.629 68.564 16.681 1.00 52.06 ? 701 SER A OG 1 ATOM 3971 N N . PRO A 1 620 ? 23.580 71.565 16.667 1.00 61.34 ? 702 PRO A N 1 ATOM 3972 C CA . PRO A 1 620 ? 24.568 72.347 17.421 1.00 66.78 ? 702 PRO A CA 1 ATOM 3973 C C . PRO A 1 620 ? 25.804 71.536 17.816 1.00 62.42 ? 702 PRO A C 1 ATOM 3974 O O . PRO A 1 620 ? 26.861 72.108 18.081 1.00 60.31 ? 702 PRO A O 1 ATOM 3975 C CB . PRO A 1 620 ? 23.793 72.764 18.671 1.00 71.83 ? 702 PRO A CB 1 ATOM 3976 C CG . PRO A 1 620 ? 22.372 72.798 18.234 1.00 70.23 ? 702 PRO A CG 1 ATOM 3977 C CD . PRO A 1 620 ? 22.231 71.674 17.249 1.00 62.64 ? 702 PRO A CD 1 ATOM 3978 N N . VAL A 1 621 ? 25.660 70.217 17.850 1.00 59.74 ? 703 VAL A N 1 ATOM 3979 C CA . VAL A 1 621 ? 26.752 69.313 18.200 1.00 64.21 ? 703 VAL A CA 1 ATOM 3980 C C . VAL A 1 621 ? 27.626 68.935 17.005 1.00 67.83 ? 703 VAL A C 1 ATOM 3981 O O . VAL A 1 621 ? 28.560 68.146 17.143 1.00 64.03 ? 703 VAL A O 1 ATOM 3982 C CB . VAL A 1 621 ? 26.218 68.027 18.853 1.00 58.58 ? 703 VAL A CB 1 ATOM 3983 C CG1 . VAL A 1 621 ? 25.503 68.356 20.151 1.00 54.84 ? 703 VAL A CG1 1 ATOM 3984 C CG2 . VAL A 1 621 ? 25.289 67.295 17.900 1.00 58.88 ? 703 VAL A CG2 1 ATOM 3985 N N . HIS A 1 622 ? 27.325 69.490 15.835 1.00 60.47 ? 704 HIS A N 1 ATOM 3986 C CA . HIS A 1 622 ? 28.129 69.223 14.646 1.00 50.79 ? 704 HIS A CA 1 ATOM 3987 C C . HIS A 1 622 ? 29.265 70.230 14.511 1.00 51.44 ? 704 HIS A C 1 ATOM 3988 O O . HIS A 1 622 ? 30.276 69.960 13.864 1.00 45.14 ? 704 HIS A O 1 ATOM 3989 C CB . HIS A 1 622 ? 27.264 69.264 13.385 1.00 43.89 ? 704 HIS A CB 1 ATOM 3990 C CG . HIS A 1 622 ? 26.262 68.155 13.297 1.00 40.44 ? 704 HIS A CG 1 ATOM 3991 N ND1 . HIS A 1 622 ? 25.329 68.076 12.287 1.00 42.78 ? 704 HIS A ND1 1 ATOM 3992 C CD2 . HIS A 1 622 ? 26.043 67.085 14.096 1.00 39.13 ? 704 HIS A CD2 1 ATOM 3993 C CE1 . HIS A 1 622 ? 24.580 67.003 12.465 1.00 39.62 ? 704 HIS A CE1 1 ATOM 3994 N NE2 . HIS A 1 622 ? 24.993 66.384 13.556 1.00 41.98 ? 704 HIS A NE2 1 ATOM 3995 N N . LYS A 1 623 ? 29.089 71.389 15.133 1.00 61.05 ? 705 LYS A N 1 ATOM 3996 C CA . LYS A 1 623 ? 30.084 72.453 15.093 1.00 61.26 ? 705 LYS A CA 1 ATOM 3997 C C . LYS A 1 623 ? 31.258 72.155 16.023 1.00 58.31 ? 705 LYS A C 1 ATOM 3998 O O . LYS A 1 623 ? 31.071 71.635 17.120 1.00 62.24 ? 705 LYS A O 1 ATOM 3999 C CB . LYS A 1 623 ? 29.447 73.793 15.466 1.00 54.78 ? 705 LYS A CB 1 ATOM 4000 N N . CYS A 1 624 ? 32.468 72.474 15.574 1.00 51.19 ? 706 CYS A N 1 ATOM 4001 C CA . CYS A 1 624 ? 33.668 72.221 16.365 1.00 54.30 ? 706 CYS A CA 1 ATOM 4002 C C . CYS A 1 624 ? 33.711 73.157 17.565 1.00 66.45 ? 706 CYS A C 1 ATOM 4003 O O . CYS A 1 624 ? 34.400 72.880 18.546 1.00 70.17 ? 706 CYS A O 1 ATOM 4004 C CB . CYS A 1 624 ? 34.931 72.380 15.520 1.00 50.77 ? 706 CYS A CB 1 ATOM 4005 S SG . CYS A 1 624 ? 34.993 71.303 14.075 1.00 80.34 ? 706 CYS A SG 1 ATOM 4006 N N . SER A 1 625 ? 32.986 74.270 17.481 1.00 71.78 ? 707 SER A N 1 ATOM 4007 C CA . SER A 1 625 ? 32.933 75.222 18.585 1.00 72.29 ? 707 SER A CA 1 ATOM 4008 C C . SER A 1 625 ? 32.260 74.561 19.784 1.00 67.61 ? 707 SER A C 1 ATOM 4009 O O . SER A 1 625 ? 32.431 74.993 20.924 1.00 74.44 ? 707 SER A O 1 ATOM 4010 C CB . SER A 1 625 ? 32.181 76.490 18.179 1.00 75.54 ? 707 SER A CB 1 ATOM 4011 O OG . SER A 1 625 ? 30.853 76.191 17.784 1.00 75.55 ? 707 SER A OG 1 ATOM 4012 N N . TYR A 1 626 ? 31.491 73.511 19.513 1.00 54.36 ? 708 TYR A N 1 ATOM 4013 C CA . TYR A 1 626 ? 30.831 72.749 20.562 1.00 45.71 ? 708 TYR A CA 1 ATOM 4014 C C . TYR A 1 626 ? 31.826 71.948 21.379 1.00 53.81 ? 708 TYR A C 1 ATOM 4015 O O . TYR A 1 626 ? 31.607 71.694 22.559 1.00 59.56 ? 708 TYR A O 1 ATOM 4016 C CB . TYR A 1 626 ? 29.785 71.799 19.978 1.00 40.32 ? 708 TYR A CB 1 ATOM 4017 C CG . TYR A 1 626 ? 29.131 70.950 21.046 1.00 46.30 ? 708 TYR A CG 1 ATOM 4018 C CD1 . TYR A 1 626 ? 28.166 71.475 21.892 1.00 54.07 ? 708 TYR A CD1 1 ATOM 4019 C CD2 . TYR A 1 626 ? 29.513 69.626 21.231 1.00 47.07 ? 708 TYR A CD2 1 ATOM 4020 C CE1 . TYR A 1 626 ? 27.588 70.700 22.879 1.00 56.25 ? 708 TYR A CE1 1 ATOM 4021 C CE2 . TYR A 1 626 ? 28.939 68.846 22.214 1.00 46.33 ? 708 TYR A CE2 1 ATOM 4022 C CZ . TYR A 1 626 ? 27.975 69.388 23.034 1.00 51.81 ? 708 TYR A CZ 1 ATOM 4023 O OH . TYR A 1 626 ? 27.396 68.622 24.018 1.00 55.13 ? 708 TYR A OH 1 ATOM 4024 N N . TYR A 1 627 ? 32.929 71.559 20.753 1.00 55.46 ? 709 TYR A N 1 ATOM 4025 C CA . TYR A 1 627 ? 33.894 70.709 21.430 1.00 64.62 ? 709 TYR A CA 1 ATOM 4026 C C . TYR A 1 627 ? 35.112 71.467 21.942 1.00 74.52 ? 709 TYR A C 1 ATOM 4027 O O . TYR A 1 627 ? 35.848 72.088 21.177 1.00 78.95 ? 709 TYR A O 1 ATOM 4028 C CB . TYR A 1 627 ? 34.325 69.573 20.499 1.00 67.83 ? 709 TYR A CB 1 ATOM 4029 C CG . TYR A 1 627 ? 33.163 68.738 20.006 1.00 63.91 ? 709 TYR A CG 1 ATOM 4030 C CD1 . TYR A 1 627 ? 32.490 69.081 18.839 1.00 60.48 ? 709 TYR A CD1 1 ATOM 4031 C CD2 . TYR A 1 627 ? 32.727 67.623 20.707 1.00 61.16 ? 709 TYR A CD2 1 ATOM 4032 C CE1 . TYR A 1 627 ? 31.424 68.336 18.380 1.00 58.17 ? 709 TYR A CE1 1 ATOM 4033 C CE2 . TYR A 1 627 ? 31.658 66.868 20.254 1.00 61.53 ? 709 TYR A CE2 1 ATOM 4034 C CZ . TYR A 1 627 ? 31.011 67.230 19.090 1.00 59.97 ? 709 TYR A CZ 1 ATOM 4035 O OH . TYR A 1 627 ? 29.947 66.488 18.631 1.00 57.64 ? 709 TYR A OH 1 ATOM 4036 N N . LYS A 1 628 ? 35.309 71.402 23.255 1.00 81.21 ? 710 LYS A N 1 ATOM 4037 C CA . LYS A 1 628 ? 36.443 72.032 23.913 1.00 87.21 ? 710 LYS A CA 1 ATOM 4038 C C . LYS A 1 628 ? 37.495 70.982 24.243 1.00 103.08 ? 710 LYS A C 1 ATOM 4039 O O . LYS A 1 628 ? 37.208 69.784 24.243 1.00 102.54 ? 710 LYS A O 1 ATOM 4040 C CB . LYS A 1 628 ? 36.004 72.762 25.183 1.00 76.38 ? 710 LYS A CB 1 ATOM 4041 N N . SER A 1 629 ? 38.708 71.432 24.541 1.00 110.78 ? 711 SER A N 1 ATOM 4042 C CA . SER A 1 629 ? 39.796 70.521 24.875 1.00 111.15 ? 711 SER A CA 1 ATOM 4043 C C . SER A 1 629 ? 39.756 70.118 26.346 1.00 117.91 ? 711 SER A C 1 ATOM 4044 O O . SER A 1 629 ? 40.557 69.299 26.796 1.00 116.73 ? 711 SER A O 1 ATOM 4045 C CB . SER A 1 629 ? 41.146 71.157 24.542 1.00 104.03 ? 711 SER A CB 1 ATOM 4046 O OG . SER A 1 629 ? 42.214 70.290 24.879 1.00 96.74 ? 711 SER A OG 1 ATOM 4047 N N . ASN A 1 630 ? 38.818 70.696 27.090 1.00 122.94 ? 712 ASN A N 1 ATOM 4048 C CA . ASN A 1 630 ? 38.697 70.424 28.519 1.00 122.62 ? 712 ASN A CA 1 ATOM 4049 C C . ASN A 1 630 ? 37.731 69.285 28.835 1.00 117.63 ? 712 ASN A C 1 ATOM 4050 O O . ASN A 1 630 ? 37.990 68.469 29.720 1.00 114.18 ? 712 ASN A O 1 ATOM 4051 C CB . ASN A 1 630 ? 38.280 71.690 29.271 1.00 122.96 ? 712 ASN A CB 1 ATOM 4052 N N . SER A 1 631 ? 36.617 69.236 28.112 1.00 112.48 ? 713 SER A N 1 ATOM 4053 C CA . SER A 1 631 ? 35.599 68.216 28.342 1.00 102.31 ? 713 SER A CA 1 ATOM 4054 C C . SER A 1 631 ? 36.046 66.845 27.838 1.00 89.59 ? 713 SER A C 1 ATOM 4055 O O . SER A 1 631 ? 36.629 66.730 26.760 1.00 81.25 ? 713 SER A O 1 ATOM 4056 C CB . SER A 1 631 ? 34.280 68.618 27.681 1.00 102.86 ? 713 SER A CB 1 ATOM 4057 O OG . SER A 1 631 ? 33.294 67.614 27.847 1.00 101.95 ? 713 SER A OG 1 ATOM 4058 N N . LYS A 1 632 ? 35.764 65.811 28.625 1.00 83.40 ? 714 LYS A N 1 ATOM 4059 C CA . LYS A 1 632 ? 36.178 64.450 28.294 1.00 78.15 ? 714 LYS A CA 1 ATOM 4060 C C . LYS A 1 632 ? 35.393 63.878 27.115 1.00 71.06 ? 714 LYS A C 1 ATOM 4061 O O . LYS A 1 632 ? 35.848 62.953 26.442 1.00 62.55 ? 714 LYS A O 1 ATOM 4062 C CB . LYS A 1 632 ? 36.034 63.531 29.510 1.00 76.02 ? 714 LYS A CB 1 ATOM 4063 C CG . LYS A 1 632 ? 36.823 63.980 30.730 1.00 77.32 ? 714 LYS A CG 1 ATOM 4064 C CD . LYS A 1 632 ? 36.860 62.891 31.789 1.00 73.15 ? 714 LYS A CD 1 ATOM 4065 C CE . LYS A 1 632 ? 35.460 62.446 32.176 1.00 67.51 ? 714 LYS A CE 1 ATOM 4066 N NZ . LYS A 1 632 ? 35.488 61.320 33.152 1.00 60.87 ? 714 LYS A NZ 1 ATOM 4067 N N . LEU A 1 633 ? 34.208 64.431 26.879 1.00 65.07 ? 715 LEU A N 1 ATOM 4068 C CA . LEU A 1 633 ? 33.362 64.014 25.766 1.00 56.67 ? 715 LEU A CA 1 ATOM 4069 C C . LEU A 1 633 ? 33.758 64.718 24.474 1.00 56.38 ? 715 LEU A C 1 ATOM 4070 O O . LEU A 1 633 ? 33.883 65.937 24.441 1.00 56.80 ? 715 LEU A O 1 ATOM 4071 C CB . LEU A 1 633 ? 31.888 64.281 26.077 1.00 53.37 ? 715 LEU A CB 1 ATOM 4072 C CG . LEU A 1 633 ? 30.943 63.782 24.977 1.00 55.16 ? 715 LEU A CG 1 ATOM 4073 C CD1 . LEU A 1 633 ? 31.105 62.281 24.780 1.00 50.98 ? 715 LEU A CD1 1 ATOM 4074 C CD2 . LEU A 1 633 ? 29.493 64.127 25.273 1.00 53.17 ? 715 LEU A CD2 1 ATOM 4075 N N . SER A 1 634 ? 33.988 63.944 23.418 1.00 56.95 ? 716 SER A N 1 ATOM 4076 C CA . SER A 1 634 ? 34.322 64.532 22.128 1.00 59.43 ? 716 SER A CA 1 ATOM 4077 C C . SER A 1 634 ? 33.655 63.758 20.999 1.00 64.86 ? 716 SER A C 1 ATOM 4078 O O . SER A 1 634 ? 32.711 63.006 21.232 1.00 69.20 ? 716 SER A O 1 ATOM 4079 C CB . SER A 1 634 ? 35.836 64.555 21.915 1.00 57.59 ? 716 SER A CB 1 ATOM 4080 O OG . SER A 1 634 ? 36.484 65.292 22.935 1.00 70.80 ? 716 SER A OG 1 ATOM 4081 N N . TYR A 1 635 ? 34.141 63.943 19.776 1.00 67.10 ? 717 TYR A N 1 ATOM 4082 C CA . TYR A 1 635 ? 33.622 63.188 18.642 1.00 65.83 ? 717 TYR A CA 1 ATOM 4083 C C . TYR A 1 635 ? 34.677 62.281 18.024 1.00 63.62 ? 717 TYR A C 1 ATOM 4084 O O . TYR A 1 635 ? 35.859 62.624 17.971 1.00 66.69 ? 717 TYR A O 1 ATOM 4085 C CB . TYR A 1 635 ? 33.061 64.136 17.577 1.00 65.89 ? 717 TYR A CB 1 ATOM 4086 C CG . TYR A 1 635 ? 34.086 65.032 16.916 1.00 57.15 ? 717 TYR A CG 1 ATOM 4087 C CD1 . TYR A 1 635 ? 34.488 66.221 17.511 1.00 45.24 ? 717 TYR A CD1 1 ATOM 4088 C CD2 . TYR A 1 635 ? 34.647 64.690 15.693 1.00 59.65 ? 717 TYR A CD2 1 ATOM 4089 C CE1 . TYR A 1 635 ? 35.421 67.042 16.905 1.00 49.60 ? 717 TYR A CE1 1 ATOM 4090 C CE2 . TYR A 1 635 ? 35.580 65.502 15.081 1.00 57.43 ? 717 TYR A CE2 1 ATOM 4091 C CZ . TYR A 1 635 ? 35.965 66.676 15.690 1.00 54.24 ? 717 TYR A CZ 1 ATOM 4092 O OH . TYR A 1 635 ? 36.896 67.486 15.082 1.00 48.02 ? 717 TYR A OH 1 ATOM 4093 N N . GLY A 1 636 ? 34.235 61.118 17.560 1.00 55.62 ? 718 GLY A N 1 ATOM 4094 C CA . GLY A 1 636 ? 35.098 60.188 16.859 1.00 53.88 ? 718 GLY A CA 1 ATOM 4095 C C . GLY A 1 636 ? 34.522 59.889 15.490 1.00 53.46 ? 718 GLY A C 1 ATOM 4096 O O . GLY A 1 636 ? 33.344 60.144 15.239 1.00 47.46 ? 718 GLY A O 1 ATOM 4097 N N . PHE A 1 637 ? 35.348 59.342 14.605 1.00 53.73 ? 719 PHE A N 1 ATOM 4098 C CA . PHE A 1 637 ? 34.894 58.976 13.270 1.00 45.72 ? 719 PHE A CA 1 ATOM 4099 C C . PHE A 1 637 ? 34.580 57.489 13.179 1.00 43.68 ? 719 PHE A C 1 ATOM 4100 O O . PHE A 1 637 ? 35.298 56.660 13.737 1.00 54.15 ? 719 PHE A O 1 ATOM 4101 C CB . PHE A 1 637 ? 35.946 59.337 12.218 1.00 44.49 ? 719 PHE A CB 1 ATOM 4102 C CG . PHE A 1 637 ? 36.324 60.789 12.204 1.00 54.32 ? 719 PHE A CG 1 ATOM 4103 C CD1 . PHE A 1 637 ? 35.533 61.719 11.550 1.00 59.16 ? 719 PHE A CD1 1 ATOM 4104 C CD2 . PHE A 1 637 ? 37.483 61.223 12.826 1.00 55.68 ? 719 PHE A CD2 1 ATOM 4105 C CE1 . PHE A 1 637 ? 35.883 63.056 11.530 1.00 60.29 ? 719 PHE A CE1 1 ATOM 4106 C CE2 . PHE A 1 637 ? 37.839 62.559 12.808 1.00 56.87 ? 719 PHE A CE2 1 ATOM 4107 C CZ . PHE A 1 637 ? 37.037 63.476 12.159 1.00 58.17 ? 719 PHE A CZ 1 ATOM 4108 N N . LEU A 1 638 ? 33.502 57.157 12.474 1.00 34.73 ? 720 LEU A N 1 ATOM 4109 C CA . LEU A 1 638 ? 33.179 55.763 12.203 1.00 39.90 ? 720 LEU A CA 1 ATOM 4110 C C . LEU A 1 638 ? 34.112 55.258 11.112 1.00 48.66 ? 720 LEU A C 1 ATOM 4111 O O . LEU A 1 638 ? 34.585 54.122 11.152 1.00 53.04 ? 720 LEU A O 1 ATOM 4112 C CB . LEU A 1 638 ? 31.718 55.595 11.781 1.00 32.22 ? 720 LEU A CB 1 ATOM 4113 C CG . LEU A 1 638 ? 30.636 55.765 12.851 1.00 32.49 ? 720 LEU A CG 1 ATOM 4114 C CD1 . LEU A 1 638 ? 29.268 55.412 12.286 1.00 27.40 ? 720 LEU A CD1 1 ATOM 4115 C CD2 . LEU A 1 638 ? 30.944 54.917 14.074 1.00 34.26 ? 720 LEU A CD2 1 ATOM 4116 N N . THR A 1 639 ? 34.370 56.122 10.136 1.00 51.48 ? 721 THR A N 1 ATOM 4117 C CA . THR A 1 639 ? 35.304 55.825 9.060 1.00 50.48 ? 721 THR A CA 1 ATOM 4118 C C . THR A 1 639 ? 36.591 56.624 9.248 1.00 56.33 ? 721 THR A C 1 ATOM 4119 O O . THR A 1 639 ? 36.551 57.848 9.364 1.00 61.12 ? 721 THR A O 1 ATOM 4120 C CB . THR A 1 639 ? 34.692 56.171 7.690 1.00 50.83 ? 721 THR A CB 1 ATOM 4121 O OG1 . THR A 1 639 ? 33.468 55.444 7.513 1.00 50.17 ? 721 THR A OG1 1 ATOM 4122 C CG2 . THR A 1 639 ? 35.658 55.819 6.565 1.00 52.63 ? 721 THR A CG2 1 ATOM 4123 N N . PRO A 1 640 ? 37.738 55.928 9.286 1.00 70.54 ? 722 PRO A N 1 ATOM 4124 C CA . PRO A 1 640 ? 39.057 56.549 9.465 1.00 81.24 ? 722 PRO A CA 1 ATOM 4125 C C . PRO A 1 640 ? 39.365 57.547 8.348 1.00 91.33 ? 722 PRO A C 1 ATOM 4126 O O . PRO A 1 640 ? 39.200 57.217 7.173 1.00 100.06 ? 722 PRO A O 1 ATOM 4127 C CB . PRO A 1 640 ? 40.019 55.357 9.402 1.00 84.65 ? 722 PRO A CB 1 ATOM 4128 C CG . PRO A 1 640 ? 39.260 54.279 8.696 1.00 80.93 ? 722 PRO A CG 1 ATOM 4129 C CD . PRO A 1 640 ? 37.835 54.470 9.111 1.00 77.16 ? 722 PRO A CD 1 ATOM 4130 N N . PRO A 1 641 ? 39.812 58.758 8.714 1.00 92.59 ? 723 PRO A N 1 ATOM 4131 C CA . PRO A 1 641 ? 40.096 59.818 7.738 1.00 91.36 ? 723 PRO A CA 1 ATOM 4132 C C . PRO A 1 641 ? 41.400 59.616 6.968 1.00 91.01 ? 723 PRO A C 1 ATOM 4133 O O . PRO A 1 641 ? 41.600 60.270 5.946 1.00 99.88 ? 723 PRO A O 1 ATOM 4134 C CB . PRO A 1 641 ? 40.203 61.065 8.620 1.00 92.36 ? 723 PRO A CB 1 ATOM 4135 C CG . PRO A 1 641 ? 40.684 60.552 9.927 1.00 94.94 ? 723 PRO A CG 1 ATOM 4136 C CD . PRO A 1 641 ? 40.037 59.205 10.100 1.00 96.86 ? 723 PRO A CD 1 ATOM 4137 N N . ARG A 1 642 ? 42.264 58.722 7.438 1.00 81.74 ? 724 ARG A N 1 ATOM 4138 C CA . ARG A 1 642 ? 43.562 58.500 6.800 1.00 77.02 ? 724 ARG A CA 1 ATOM 4139 C C . ARG A 1 642 ? 43.467 57.572 5.590 1.00 79.72 ? 724 ARG A C 1 ATOM 4140 O O . ARG A 1 642 ? 44.480 57.073 5.100 1.00 81.74 ? 724 ARG A O 1 ATOM 4141 C CB . ARG A 1 642 ? 44.579 57.959 7.807 1.00 65.68 ? 724 ARG A CB 1 ATOM 4142 C CG . ARG A 1 642 ? 44.851 58.896 8.972 1.00 58.95 ? 724 ARG A CG 1 ATOM 4143 C CD . ARG A 1 642 ? 46.118 58.494 9.705 1.00 56.60 ? 724 ARG A CD 1 ATOM 4144 N NE . ARG A 1 642 ? 46.661 59.586 10.508 1.00 59.61 ? 724 ARG A NE 1 ATOM 4145 C CZ . ARG A 1 642 ? 47.761 59.493 11.247 1.00 59.37 ? 724 ARG A CZ 1 ATOM 4146 N NH1 . ARG A 1 642 ? 48.438 58.354 11.292 1.00 52.52 ? 724 ARG A NH1 1 ATOM 4147 N NH2 . ARG A 1 642 ? 48.183 60.539 11.945 1.00 59.20 ? 724 ARG A NH2 1 ATOM 4148 N N . LEU A 1 643 ? 42.248 57.347 5.111 1.00 80.39 ? 725 LEU A N 1 ATOM 4149 C CA . LEU A 1 643 ? 42.023 56.492 3.954 1.00 88.93 ? 725 LEU A CA 1 ATOM 4150 C C . LEU A 1 643 ? 42.453 57.202 2.672 1.00 102.01 ? 725 LEU A C 1 ATOM 4151 O O . LEU A 1 643 ? 42.258 58.406 2.530 1.00 109.84 ? 725 LEU A O 1 ATOM 4152 C CB . LEU A 1 643 ? 40.550 56.083 3.878 1.00 82.44 ? 725 LEU A CB 1 ATOM 4153 C CG . LEU A 1 643 ? 40.229 54.744 3.215 1.00 76.04 ? 725 LEU A CG 1 ATOM 4154 C CD1 . LEU A 1 643 ? 40.940 53.623 3.938 1.00 72.38 ? 725 LEU A CD1 1 ATOM 4155 C CD2 . LEU A 1 643 ? 38.729 54.502 3.210 1.00 72.77 ? 725 LEU A CD2 1 ATOM 4156 N N . ASN A 1 644 ? 43.063 56.440 1.764 1.00 98.75 ? 726 ASN A N 1 ATOM 4157 C CA . ASN A 1 644 ? 43.593 56.935 0.486 1.00 89.45 ? 726 ASN A CA 1 ATOM 4158 C C . ASN A 1 644 ? 44.442 58.202 0.624 1.00 81.20 ? 726 ASN A C 1 ATOM 4159 O O . ASN A 1 644 ? 45.095 58.632 -0.326 1.00 71.89 ? 726 ASN A O 1 ATOM 4160 C CB . ASN A 1 644 ? 42.476 57.114 -0.567 1.00 85.91 ? 726 ASN A CB 1 ATOM 4161 C CG . ASN A 1 644 ? 41.580 58.330 -0.317 1.00 81.07 ? 726 ASN A CG 1 ATOM 4162 O OD1 . ASN A 1 644 ? 42.046 59.428 -0.016 1.00 85.59 ? 726 ASN A OD1 1 ATOM 4163 N ND2 . ASN A 1 644 ? 40.278 58.131 -0.472 1.00 68.42 ? 726 ASN A ND2 1 ATOM 4164 N N . HIS A 1 649 ? 48.110 62.666 0.213 1.00 77.33 ? 731 HIS A N 1 ATOM 4165 C CA . HIS A 1 649 ? 46.812 63.313 0.375 1.00 77.00 ? 731 HIS A CA 1 ATOM 4166 C C . HIS A 1 649 ? 45.973 62.616 1.443 1.00 81.76 ? 731 HIS A C 1 ATOM 4167 O O . HIS A 1 649 ? 46.371 61.585 1.984 1.00 90.31 ? 731 HIS A O 1 ATOM 4168 C CB . HIS A 1 649 ? 46.056 63.344 -0.954 1.00 71.94 ? 731 HIS A CB 1 ATOM 4169 N N . ILE A 1 650 ? 44.807 63.184 1.734 1.00 75.83 ? 732 ILE A N 1 ATOM 4170 C CA . ILE A 1 650 ? 43.932 62.664 2.780 1.00 69.38 ? 732 ILE A CA 1 ATOM 4171 C C . ILE A 1 650 ? 42.458 62.786 2.389 1.00 72.28 ? 732 ILE A C 1 ATOM 4172 O O . ILE A 1 650 ? 42.016 63.834 1.918 1.00 76.63 ? 732 ILE A O 1 ATOM 4173 C CB . ILE A 1 650 ? 44.189 63.369 4.134 1.00 61.03 ? 732 ILE A CB 1 ATOM 4174 C CG1 . ILE A 1 650 ? 43.146 62.950 5.172 1.00 36.55 ? 732 ILE A CG1 1 ATOM 4175 C CG2 . ILE A 1 650 ? 44.207 64.882 3.962 1.00 69.49 ? 732 ILE A CG2 1 ATOM 4176 C CD1 . ILE A 1 650 ? 43.351 63.575 6.536 1.00 34.29 ? 732 ILE A CD1 1 ATOM 4177 N N . TYR A 1 651 ? 41.710 61.703 2.574 1.00 72.10 ? 733 TYR A N 1 ATOM 4178 C CA . TYR A 1 651 ? 40.292 61.672 2.231 1.00 74.87 ? 733 TYR A CA 1 ATOM 4179 C C . TYR A 1 651 ? 39.511 62.671 3.076 1.00 72.35 ? 733 TYR A C 1 ATOM 4180 O O . TYR A 1 651 ? 39.501 62.591 4.304 1.00 80.80 ? 733 TYR A O 1 ATOM 4181 C CB . TYR A 1 651 ? 39.733 60.260 2.410 1.00 79.31 ? 733 TYR A CB 1 ATOM 4182 C CG . TYR A 1 651 ? 38.344 60.055 1.852 1.00 84.36 ? 733 TYR A CG 1 ATOM 4183 C CD1 . TYR A 1 651 ? 38.053 60.367 0.530 1.00 87.83 ? 733 TYR A CD1 1 ATOM 4184 C CD2 . TYR A 1 651 ? 37.327 59.534 2.642 1.00 80.82 ? 733 TYR A CD2 1 ATOM 4185 C CE1 . TYR A 1 651 ? 36.785 60.177 0.014 1.00 87.73 ? 733 TYR A CE1 1 ATOM 4186 C CE2 . TYR A 1 651 ? 36.056 59.339 2.135 1.00 77.23 ? 733 TYR A CE2 1 ATOM 4187 C CZ . TYR A 1 651 ? 35.792 59.660 0.819 1.00 79.31 ? 733 TYR A CZ 1 ATOM 4188 O OH . TYR A 1 651 ? 34.530 59.467 0.308 1.00 73.57 ? 733 TYR A OH 1 ATOM 4189 N N . SER A 1 652 ? 38.857 63.614 2.406 1.00 58.60 ? 734 SER A N 1 ATOM 4190 C CA . SER A 1 652 ? 38.174 64.713 3.080 1.00 45.99 ? 734 SER A CA 1 ATOM 4191 C C . SER A 1 652 ? 36.716 64.407 3.427 1.00 43.78 ? 734 SER A C 1 ATOM 4192 O O . SER A 1 652 ? 36.163 64.992 4.356 1.00 59.58 ? 734 SER A O 1 ATOM 4193 C CB . SER A 1 652 ? 38.251 65.985 2.234 1.00 40.03 ? 734 SER A CB 1 ATOM 4194 O OG . SER A 1 652 ? 37.614 65.801 0.983 1.00 53.64 ? 734 SER A OG 1 ATOM 4195 N N . GLU A 1 653 ? 36.094 63.499 2.681 1.00 26.90 ? 735 GLU A N 1 ATOM 4196 C CA . GLU A 1 653 ? 34.692 63.160 2.919 1.00 32.58 ? 735 GLU A CA 1 ATOM 4197 C C . GLU A 1 653 ? 34.498 62.393 4.224 1.00 31.31 ? 735 GLU A C 1 ATOM 4198 O O . GLU A 1 653 ? 33.374 62.235 4.701 1.00 33.36 ? 735 GLU A O 1 ATOM 4199 C CB . GLU A 1 653 ? 34.102 62.371 1.750 1.00 44.19 ? 735 GLU A CB 1 ATOM 4200 C CG . GLU A 1 653 ? 33.848 63.191 0.499 1.00 47.94 ? 735 GLU A CG 1 ATOM 4201 C CD . GLU A 1 653 ? 33.194 62.378 -0.599 1.00 48.44 ? 735 GLU A CD 1 ATOM 4202 O OE1 . GLU A 1 653 ? 33.291 61.134 -0.556 1.00 43.08 ? 735 GLU A OE1 1 ATOM 4203 O OE2 . GLU A 1 653 ? 32.582 62.981 -1.504 1.00 62.31 ? 735 GLU A OE2 1 ATOM 4204 N N . ALA A 1 654 ? 35.597 61.913 4.795 1.00 24.99 ? 736 ALA A N 1 ATOM 4205 C CA . ALA A 1 654 ? 35.553 61.263 6.097 1.00 39.32 ? 736 ALA A CA 1 ATOM 4206 C C . ALA A 1 654 ? 35.452 62.323 7.185 1.00 35.80 ? 736 ALA A C 1 ATOM 4207 O O . ALA A 1 654 ? 35.160 62.021 8.341 1.00 36.53 ? 736 ALA A O 1 ATOM 4208 C CB . ALA A 1 654 ? 36.784 60.400 6.303 1.00 39.97 ? 736 ALA A CB 1 ATOM 4209 N N . LEU A 1 655 ? 35.697 63.571 6.801 1.00 32.83 ? 737 LEU A N 1 ATOM 4210 C CA . LEU A 1 655 ? 35.585 64.692 7.722 1.00 34.22 ? 737 LEU A CA 1 ATOM 4211 C C . LEU A 1 655 ? 34.218 65.354 7.597 1.00 35.61 ? 737 LEU A C 1 ATOM 4212 O O . LEU A 1 655 ? 34.018 66.478 8.053 1.00 38.63 ? 737 LEU A O 1 ATOM 4213 C CB . LEU A 1 655 ? 36.696 65.709 7.458 1.00 32.17 ? 737 LEU A CB 1 ATOM 4214 C CG . LEU A 1 655 ? 38.124 65.174 7.559 1.00 35.42 ? 737 LEU A CG 1 ATOM 4215 C CD1 . LEU A 1 655 ? 39.130 66.276 7.274 1.00 36.39 ? 737 LEU A CD1 1 ATOM 4216 C CD2 . LEU A 1 655 ? 38.368 64.562 8.929 1.00 35.33 ? 737 LEU A CD2 1 ATOM 4217 N N . LEU A 1 656 ? 33.281 64.651 6.967 1.00 32.08 ? 738 LEU A N 1 ATOM 4218 C CA . LEU A 1 656 ? 31.913 65.138 6.861 1.00 39.16 ? 738 LEU A CA 1 ATOM 4219 C C . LEU A 1 656 ? 31.253 65.070 8.235 1.00 38.58 ? 738 LEU A C 1 ATOM 4220 O O . LEU A 1 656 ? 31.601 64.225 9.057 1.00 43.63 ? 738 LEU A O 1 ATOM 4221 C CB . LEU A 1 656 ? 31.119 64.314 5.845 1.00 33.46 ? 738 LEU A CB 1 ATOM 4222 C CG . LEU A 1 656 ? 30.758 65.002 4.526 1.00 31.65 ? 738 LEU A CG 1 ATOM 4223 C CD1 . LEU A 1 656 ? 31.995 65.568 3.851 1.00 44.29 ? 738 LEU A CD1 1 ATOM 4224 C CD2 . LEU A 1 656 ? 30.027 64.043 3.598 1.00 28.79 ? 738 LEU A CD2 1 ATOM 4225 N N . THR A 1 657 ? 30.308 65.970 8.485 1.00 33.47 ? 739 THR A N 1 ATOM 4226 C CA . THR A 1 657 ? 29.600 66.013 9.762 1.00 44.00 ? 739 THR A CA 1 ATOM 4227 C C . THR A 1 657 ? 28.826 64.720 10.018 1.00 47.05 ? 739 THR A C 1 ATOM 4228 O O . THR A 1 657 ? 28.563 64.361 11.164 1.00 47.46 ? 739 THR A O 1 ATOM 4229 C CB . THR A 1 657 ? 28.623 67.198 9.831 1.00 42.10 ? 739 THR A CB 1 ATOM 4230 O OG1 . THR A 1 657 ? 27.885 67.288 8.606 1.00 44.08 ? 739 THR A OG1 1 ATOM 4231 C CG2 . THR A 1 657 ? 29.381 68.495 10.049 1.00 39.05 ? 739 THR A CG2 1 ATOM 4232 N N . SER A 1 658 ? 28.441 64.038 8.944 1.00 42.53 ? 740 SER A N 1 ATOM 4233 C CA . SER A 1 658 ? 27.602 62.848 9.050 1.00 45.78 ? 740 SER A CA 1 ATOM 4234 C C . SER A 1 658 ? 28.420 61.596 9.361 1.00 44.33 ? 740 SER A C 1 ATOM 4235 O O . SER A 1 658 ? 27.893 60.483 9.348 1.00 42.59 ? 740 SER A O 1 ATOM 4236 C CB . SER A 1 658 ? 26.809 62.638 7.762 1.00 46.49 ? 740 SER A CB 1 ATOM 4237 O OG . SER A 1 658 ? 27.659 62.702 6.631 1.00 49.17 ? 740 SER A OG 1 ATOM 4238 N N . ASN A 1 659 ? 29.706 61.782 9.641 1.00 35.84 ? 741 ASN A N 1 ATOM 4239 C CA . ASN A 1 659 ? 30.585 60.660 9.941 1.00 36.27 ? 741 ASN A CA 1 ATOM 4240 C C . ASN A 1 659 ? 31.162 60.746 11.354 1.00 46.94 ? 741 ASN A C 1 ATOM 4241 O O . ASN A 1 659 ? 32.099 60.025 11.702 1.00 48.74 ? 741 ASN A O 1 ATOM 4242 C CB . ASN A 1 659 ? 31.715 60.578 8.909 1.00 34.28 ? 741 ASN A CB 1 ATOM 4243 C CG . ASN A 1 659 ? 32.455 59.252 8.949 1.00 35.16 ? 741 ASN A CG 1 ATOM 4244 O OD1 . ASN A 1 659 ? 31.907 58.233 9.370 1.00 31.73 ? 741 ASN A OD1 1 ATOM 4245 N ND2 . ASN A 1 659 ? 33.709 59.263 8.514 1.00 39.82 ? 741 ASN A ND2 1 ATOM 4246 N N . ILE A 1 660 ? 30.597 61.625 12.175 1.00 42.29 ? 742 ILE A N 1 ATOM 4247 C CA . ILE A 1 660 ? 31.073 61.770 13.545 1.00 34.44 ? 742 ILE A CA 1 ATOM 4248 C C . ILE A 1 660 ? 30.062 61.248 14.558 1.00 34.21 ? 742 ILE A C 1 ATOM 4249 O O . ILE A 1 660 ? 28.853 61.329 14.346 1.00 40.77 ? 742 ILE A O 1 ATOM 4250 C CB . ILE A 1 660 ? 31.457 63.228 13.891 1.00 38.71 ? 742 ILE A CB 1 ATOM 4251 C CG1 . ILE A 1 660 ? 30.252 64.162 13.759 1.00 36.05 ? 742 ILE A CG1 1 ATOM 4252 C CG2 . ILE A 1 660 ? 32.643 63.681 13.046 1.00 52.21 ? 742 ILE A CG2 1 ATOM 4253 C CD1 . ILE A 1 660 ? 30.458 65.513 14.406 1.00 27.15 ? 742 ILE A CD1 1 ATOM 4254 N N . VAL A 1 661 ? 30.572 60.709 15.658 1.00 29.56 ? 743 VAL A N 1 ATOM 4255 C CA . VAL A 1 661 ? 29.735 60.219 16.742 1.00 31.89 ? 743 VAL A CA 1 ATOM 4256 C C . VAL A 1 661 ? 30.333 60.660 18.074 1.00 36.29 ? 743 VAL A C 1 ATOM 4257 O O . VAL A 1 661 ? 31.552 60.764 18.200 1.00 44.76 ? 743 VAL A O 1 ATOM 4258 C CB . VAL A 1 661 ? 29.611 58.679 16.707 1.00 38.45 ? 743 VAL A CB 1 ATOM 4259 C CG1 . VAL A 1 661 ? 28.697 58.241 15.571 1.00 38.91 ? 743 VAL A CG1 1 ATOM 4260 C CG2 . VAL A 1 661 ? 30.984 58.033 16.583 1.00 23.39 ? 743 VAL A CG2 1 ATOM 4261 N N . PRO A 1 662 ? 29.475 60.932 19.071 1.00 25.75 ? 744 PRO A N 1 ATOM 4262 C CA . PRO A 1 662 ? 29.957 61.331 20.398 1.00 26.52 ? 744 PRO A CA 1 ATOM 4263 C C . PRO A 1 662 ? 30.827 60.245 21.018 1.00 33.18 ? 744 PRO A C 1 ATOM 4264 O O . PRO A 1 662 ? 30.403 59.094 21.114 1.00 38.13 ? 744 PRO A O 1 ATOM 4265 C CB . PRO A 1 662 ? 28.664 61.514 21.203 1.00 26.96 ? 744 PRO A CB 1 ATOM 4266 C CG . PRO A 1 662 ? 27.621 60.766 20.445 1.00 26.22 ? 744 PRO A CG 1 ATOM 4267 C CD . PRO A 1 662 ? 28.005 60.895 19.009 1.00 83.47 ? 744 PRO A CD 1 HETATM 4268 N N . MSE A 1 663 ? 32.033 60.618 21.431 1.00 33.03 ? 745 MSE A N 1 HETATM 4269 C CA . MSE A 1 663 ? 33.010 59.647 21.902 1.00 37.13 ? 745 MSE A CA 1 HETATM 4270 C C . MSE A 1 663 ? 33.915 60.213 22.995 1.00 44.29 ? 745 MSE A C 1 HETATM 4271 O O . MSE A 1 663 ? 34.513 61.276 22.833 1.00 55.57 ? 745 MSE A O 1 HETATM 4272 C CB . MSE A 1 663 ? 33.854 59.153 20.725 1.00 51.05 ? 745 MSE A CB 1 HETATM 4273 C CG . MSE A 1 663 ? 34.894 58.109 21.088 1.00 62.57 ? 745 MSE A CG 1 HETATM 4274 SE SE . MSE A 1 663 ? 35.874 57.475 19.525 1.00 67.50 ? 745 MSE A SE 1 HETATM 4275 C CE . MSE A 1 663 ? 34.375 56.745 18.516 1.00 23.56 ? 745 MSE A CE 1 ATOM 4276 N N . TYR A 1 664 ? 34.001 59.491 24.108 1.00 44.83 ? 746 TYR A N 1 ATOM 4277 C CA . TYR A 1 664 ? 34.907 59.836 25.197 1.00 43.75 ? 746 TYR A CA 1 ATOM 4278 C C . TYR A 1 664 ? 36.359 59.831 24.738 1.00 39.01 ? 746 TYR A C 1 ATOM 4279 O O . TYR A 1 664 ? 36.726 59.105 23.814 1.00 41.55 ? 746 TYR A O 1 ATOM 4280 C CB . TYR A 1 664 ? 34.747 58.842 26.348 1.00 48.77 ? 746 TYR A CB 1 ATOM 4281 C CG . TYR A 1 664 ? 33.445 58.959 27.108 1.00 50.88 ? 746 TYR A CG 1 ATOM 4282 C CD1 . TYR A 1 664 ? 32.980 60.193 27.543 1.00 44.40 ? 746 TYR A CD1 1 ATOM 4283 C CD2 . TYR A 1 664 ? 32.679 57.836 27.387 1.00 46.08 ? 746 TYR A CD2 1 ATOM 4284 C CE1 . TYR A 1 664 ? 31.793 60.304 28.241 1.00 40.29 ? 746 TYR A CE1 1 ATOM 4285 C CE2 . TYR A 1 664 ? 31.491 57.937 28.083 1.00 41.05 ? 746 TYR A CE2 1 ATOM 4286 C CZ . TYR A 1 664 ? 31.055 59.172 28.511 1.00 45.52 ? 746 TYR A CZ 1 ATOM 4287 O OH . TYR A 1 664 ? 29.871 59.277 29.203 1.00 56.09 ? 746 TYR A OH 1 ATOM 4288 N N . GLN A 1 665 ? 37.179 60.648 25.391 1.00 38.74 ? 747 GLN A N 1 ATOM 4289 C CA . GLN A 1 665 ? 38.597 60.746 25.062 1.00 39.84 ? 747 GLN A CA 1 ATOM 4290 C C . GLN A 1 665 ? 39.317 59.448 25.411 1.00 50.22 ? 747 GLN A C 1 ATOM 4291 O O . GLN A 1 665 ? 40.292 59.069 24.761 1.00 54.09 ? 747 GLN A O 1 ATOM 4292 C CB . GLN A 1 665 ? 39.246 61.929 25.783 1.00 31.61 ? 747 GLN A CB 1 ATOM 4293 N N . SER A 1 666 ? 38.827 58.774 26.446 1.00 54.98 ? 748 SER A N 1 ATOM 4294 C CA . SER A 1 666 ? 39.408 57.516 26.899 1.00 56.87 ? 748 SER A CA 1 ATOM 4295 C C . SER A 1 666 ? 39.158 56.398 25.893 1.00 51.11 ? 748 SER A C 1 ATOM 4296 O O . SER A 1 666 ? 39.978 55.492 25.743 1.00 53.37 ? 748 SER A O 1 ATOM 4297 C CB . SER A 1 666 ? 38.840 57.124 28.262 1.00 59.13 ? 748 SER A CB 1 ATOM 4298 O OG . SER A 1 666 ? 37.454 56.847 28.167 1.00 66.05 ? 748 SER A OG 1 ATOM 4299 N N . PHE A 1 667 ? 38.022 56.464 25.206 1.00 41.95 ? 749 PHE A N 1 ATOM 4300 C CA . PHE A 1 667 ? 37.689 55.464 24.200 1.00 37.97 ? 749 PHE A CA 1 ATOM 4301 C C . PHE A 1 667 ? 38.452 55.724 22.907 1.00 35.77 ? 749 PHE A C 1 ATOM 4302 O O . PHE A 1 667 ? 38.716 54.801 22.136 1.00 32.74 ? 749 PHE A O 1 ATOM 4303 C CB . PHE A 1 667 ? 36.183 55.442 23.927 1.00 40.48 ? 749 PHE A CB 1 ATOM 4304 C CG . PHE A 1 667 ? 35.752 54.359 22.978 1.00 42.84 ? 749 PHE A CG 1 ATOM 4305 C CD1 . PHE A 1 667 ? 35.528 53.069 23.431 1.00 48.04 ? 749 PHE A CD1 1 ATOM 4306 C CD2 . PHE A 1 667 ? 35.564 54.633 21.633 1.00 45.17 ? 749 PHE A CD2 1 ATOM 4307 C CE1 . PHE A 1 667 ? 35.131 52.072 22.559 1.00 49.33 ? 749 PHE A CE1 1 ATOM 4308 C CE2 . PHE A 1 667 ? 35.168 53.641 20.757 1.00 44.85 ? 749 PHE A CE2 1 ATOM 4309 C CZ . PHE A 1 667 ? 34.950 52.360 21.220 1.00 45.64 ? 749 PHE A CZ 1 ATOM 4310 N N . GLN A 1 668 ? 38.804 56.985 22.676 1.00 35.12 ? 750 GLN A N 1 ATOM 4311 C CA . GLN A 1 668 ? 39.577 57.360 21.497 1.00 36.64 ? 750 GLN A CA 1 ATOM 4312 C C . GLN A 1 668 ? 40.961 56.720 21.525 1.00 32.97 ? 750 GLN A C 1 ATOM 4313 O O . GLN A 1 668 ? 41.593 56.541 20.486 1.00 32.32 ? 750 GLN A O 1 ATOM 4314 C CB . GLN A 1 668 ? 39.692 58.882 21.390 1.00 35.55 ? 750 GLN A CB 1 ATOM 4315 C CG . GLN A 1 668 ? 38.390 59.564 20.998 1.00 48.26 ? 750 GLN A CG 1 ATOM 4316 C CD . GLN A 1 668 ? 38.511 61.072 20.929 1.00 62.86 ? 750 GLN A CD 1 ATOM 4317 O OE1 . GLN A 1 668 ? 39.206 61.689 21.735 1.00 63.69 ? 750 GLN A OE1 1 ATOM 4318 N NE2 . GLN A 1 668 ? 37.830 61.676 19.961 1.00 71.53 ? 750 GLN A NE2 1 ATOM 4319 N N . VAL A 1 669 ? 41.429 56.387 22.724 1.00 31.25 ? 751 VAL A N 1 ATOM 4320 C CA . VAL A 1 669 ? 42.700 55.694 22.883 1.00 38.06 ? 751 VAL A CA 1 ATOM 4321 C C . VAL A 1 669 ? 42.591 54.302 22.275 1.00 42.74 ? 751 VAL A C 1 ATOM 4322 O O . VAL A 1 669 ? 43.531 53.801 21.656 1.00 24.88 ? 751 VAL A O 1 ATOM 4323 C CB . VAL A 1 669 ? 43.085 55.572 24.371 1.00 41.46 ? 751 VAL A CB 1 ATOM 4324 C CG1 . VAL A 1 669 ? 44.466 54.951 24.519 1.00 43.24 ? 751 VAL A CG1 1 ATOM 4325 C CG2 . VAL A 1 669 ? 43.031 56.936 25.046 1.00 42.52 ? 751 VAL A CG2 1 ATOM 4326 N N . ILE A 1 670 ? 41.428 53.686 22.459 1.00 37.96 ? 752 ILE A N 1 ATOM 4327 C CA . ILE A 1 670 ? 41.172 52.347 21.953 1.00 33.27 ? 752 ILE A CA 1 ATOM 4328 C C . ILE A 1 670 ? 40.795 52.403 20.479 1.00 45.96 ? 752 ILE A C 1 ATOM 4329 O O . ILE A 1 670 ? 41.195 51.550 19.686 1.00 48.47 ? 752 ILE A O 1 ATOM 4330 C CB . ILE A 1 670 ? 40.030 51.667 22.728 1.00 28.37 ? 752 ILE A CB 1 ATOM 4331 C CG1 . ILE A 1 670 ? 40.241 51.823 24.237 1.00 36.10 ? 752 ILE A CG1 1 ATOM 4332 C CG2 . ILE A 1 670 ? 39.887 50.206 22.311 1.00 27.46 ? 752 ILE A CG2 1 ATOM 4333 C CD1 . ILE A 1 670 ? 39.047 51.423 25.061 1.00 34.25 ? 752 ILE A CD1 1 ATOM 4334 N N . TRP A 1 671 ? 40.028 53.428 20.121 1.00 46.92 ? 753 TRP A N 1 ATOM 4335 C CA . TRP A 1 671 ? 39.481 53.560 18.776 1.00 36.82 ? 753 TRP A CA 1 ATOM 4336 C C . TRP A 1 671 ? 40.548 53.901 17.747 1.00 38.35 ? 753 TRP A C 1 ATOM 4337 O O . TRP A 1 671 ? 40.483 53.450 16.604 1.00 42.23 ? 753 TRP A O 1 ATOM 4338 C CB . TRP A 1 671 ? 38.381 54.625 18.777 1.00 32.07 ? 753 TRP A CB 1 ATOM 4339 C CG . TRP A 1 671 ? 37.553 54.660 17.529 1.00 32.26 ? 753 TRP A CG 1 ATOM 4340 C CD1 . TRP A 1 671 ? 37.555 55.637 16.577 1.00 34.34 ? 753 TRP A CD1 1 ATOM 4341 C CD2 . TRP A 1 671 ? 36.608 53.676 17.093 1.00 34.69 ? 753 TRP A CD2 1 ATOM 4342 N NE1 . TRP A 1 671 ? 36.664 55.326 15.578 1.00 37.86 ? 753 TRP A NE1 1 ATOM 4343 C CE2 . TRP A 1 671 ? 36.071 54.126 15.870 1.00 37.61 ? 753 TRP A CE2 1 ATOM 4344 C CE3 . TRP A 1 671 ? 36.161 52.459 17.618 1.00 42.33 ? 753 TRP A CE3 1 ATOM 4345 C CZ2 . TRP A 1 671 ? 35.111 53.403 15.164 1.00 42.21 ? 753 TRP A CZ2 1 ATOM 4346 C CZ3 . TRP A 1 671 ? 35.208 51.742 16.915 1.00 40.07 ? 753 TRP A CZ3 1 ATOM 4347 C CH2 . TRP A 1 671 ? 34.694 52.216 15.701 1.00 40.42 ? 753 TRP A CH2 1 ATOM 4348 N N . HIS A 1 672 ? 41.525 54.704 18.152 1.00 41.44 ? 754 HIS A N 1 ATOM 4349 C CA . HIS A 1 672 ? 42.598 55.095 17.248 1.00 48.13 ? 754 HIS A CA 1 ATOM 4350 C C . HIS A 1 672 ? 43.580 53.954 17.014 1.00 52.82 ? 754 HIS A C 1 ATOM 4351 O O . HIS A 1 672 ? 43.999 53.709 15.885 1.00 62.07 ? 754 HIS A O 1 ATOM 4352 C CB . HIS A 1 672 ? 43.327 56.333 17.775 1.00 48.29 ? 754 HIS A CB 1 ATOM 4353 C CG . HIS A 1 672 ? 42.535 57.597 17.645 1.00 59.27 ? 754 HIS A CG 1 ATOM 4354 N ND1 . HIS A 1 672 ? 42.826 58.735 18.366 1.00 64.01 ? 754 HIS A ND1 1 ATOM 4355 C CD2 . HIS A 1 672 ? 41.459 57.900 16.881 1.00 61.34 ? 754 HIS A CD2 1 ATOM 4356 C CE1 . HIS A 1 672 ? 41.964 59.686 18.050 1.00 64.16 ? 754 HIS A CE1 1 ATOM 4357 N NE2 . HIS A 1 672 ? 41.125 59.205 17.151 1.00 58.78 ? 754 HIS A NE2 1 ATOM 4358 N N . TYR A 1 673 ? 43.938 53.256 18.087 1.00 43.89 ? 755 TYR A N 1 ATOM 4359 C CA . TYR A 1 673 ? 44.848 52.122 17.990 1.00 38.93 ? 755 TYR A CA 1 ATOM 4360 C C . TYR A 1 673 ? 44.201 50.988 17.198 1.00 42.19 ? 755 TYR A C 1 ATOM 4361 O O . TYR A 1 673 ? 44.889 50.196 16.554 1.00 39.20 ? 755 TYR A O 1 ATOM 4362 C CB . TYR A 1 673 ? 45.259 51.635 19.380 1.00 37.75 ? 755 TYR A CB 1 ATOM 4363 C CG . TYR A 1 673 ? 46.237 50.480 19.366 1.00 44.17 ? 755 TYR A CG 1 ATOM 4364 C CD1 . TYR A 1 673 ? 47.595 50.701 19.176 1.00 44.05 ? 755 TYR A CD1 1 ATOM 4365 C CD2 . TYR A 1 673 ? 45.806 49.174 19.552 1.00 44.05 ? 755 TYR A CD2 1 ATOM 4366 C CE1 . TYR A 1 673 ? 48.496 49.653 19.165 1.00 47.50 ? 755 TYR A CE1 1 ATOM 4367 C CE2 . TYR A 1 673 ? 46.700 48.121 19.545 1.00 46.59 ? 755 TYR A CE2 1 ATOM 4368 C CZ . TYR A 1 673 ? 48.044 48.365 19.349 1.00 48.89 ? 755 TYR A CZ 1 ATOM 4369 O OH . TYR A 1 673 ? 48.938 47.319 19.338 1.00 45.75 ? 755 TYR A OH 1 ATOM 4370 N N . LEU A 1 674 ? 42.873 50.919 17.254 1.00 43.18 ? 756 LEU A N 1 ATOM 4371 C CA . LEU A 1 674 ? 42.119 49.896 16.537 1.00 36.53 ? 756 LEU A CA 1 ATOM 4372 C C . LEU A 1 674 ? 42.219 50.076 15.026 1.00 36.55 ? 756 LEU A C 1 ATOM 4373 O O . LEU A 1 674 ? 42.230 49.100 14.276 1.00 47.25 ? 756 LEU A O 1 ATOM 4374 C CB . LEU A 1 674 ? 40.649 49.929 16.963 1.00 27.78 ? 756 LEU A CB 1 ATOM 4375 C CG . LEU A 1 674 ? 39.708 48.934 16.278 1.00 28.99 ? 756 LEU A CG 1 ATOM 4376 C CD1 . LEU A 1 674 ? 40.121 47.502 16.577 1.00 25.50 ? 756 LEU A CD1 1 ATOM 4377 C CD2 . LEU A 1 674 ? 38.263 49.179 16.691 1.00 19.91 ? 756 LEU A CD2 1 ATOM 4378 N N . HIS A 1 675 ? 42.304 51.327 14.584 1.00 28.43 ? 757 HIS A N 1 ATOM 4379 C CA . HIS A 1 675 ? 42.312 51.636 13.158 1.00 26.25 ? 757 HIS A CA 1 ATOM 4380 C C . HIS A 1 675 ? 43.715 51.918 12.632 1.00 45.37 ? 757 HIS A C 1 ATOM 4381 O O . HIS A 1 675 ? 44.028 51.603 11.485 1.00 63.68 ? 757 HIS A O 1 ATOM 4382 C CB . HIS A 1 675 ? 41.384 52.817 12.856 1.00 25.36 ? 757 HIS A CB 1 ATOM 4383 C CG . HIS A 1 675 ? 39.940 52.542 13.143 1.00 26.70 ? 757 HIS A CG 1 ATOM 4384 N ND1 . HIS A 1 675 ? 39.467 52.287 14.412 1.00 27.83 ? 757 HIS A ND1 1 ATOM 4385 C CD2 . HIS A 1 675 ? 38.866 52.480 12.321 1.00 27.64 ? 757 HIS A CD2 1 ATOM 4386 C CE1 . HIS A 1 675 ? 38.164 52.080 14.360 1.00 32.49 ? 757 HIS A CE1 1 ATOM 4387 N NE2 . HIS A 1 675 ? 37.774 52.191 13.103 1.00 28.95 ? 757 HIS A NE2 1 ATOM 4388 N N . ASP A 1 676 ? 44.556 52.513 13.472 1.00 44.67 ? 758 ASP A N 1 ATOM 4389 C CA . ASP A 1 676 ? 45.906 52.882 13.059 1.00 48.28 ? 758 ASP A CA 1 ATOM 4390 C C . ASP A 1 676 ? 46.871 51.699 13.087 1.00 44.45 ? 758 ASP A C 1 ATOM 4391 O O . ASP A 1 676 ? 47.826 51.662 12.310 1.00 38.99 ? 758 ASP A O 1 ATOM 4392 C CB . ASP A 1 676 ? 46.447 54.022 13.926 1.00 54.28 ? 758 ASP A CB 1 ATOM 4393 C CG . ASP A 1 676 ? 45.674 55.316 13.738 1.00 60.17 ? 758 ASP A CG 1 ATOM 4394 O OD1 . ASP A 1 676 ? 44.784 55.358 12.861 1.00 53.10 ? 758 ASP A OD1 1 ATOM 4395 O OD2 . ASP A 1 676 ? 45.954 56.290 14.468 1.00 65.05 ? 758 ASP A OD2 1 ATOM 4396 N N . THR A 1 677 ? 46.631 50.736 13.974 1.00 34.48 ? 759 THR A N 1 ATOM 4397 C CA . THR A 1 677 ? 47.558 49.616 14.122 1.00 35.52 ? 759 THR A CA 1 ATOM 4398 C C . THR A 1 677 ? 46.950 48.260 13.759 1.00 40.40 ? 759 THR A C 1 ATOM 4399 O O . THR A 1 677 ? 47.420 47.597 12.835 1.00 46.12 ? 759 THR A O 1 ATOM 4400 C CB . THR A 1 677 ? 48.107 49.540 15.559 1.00 31.04 ? 759 THR A CB 1 ATOM 4401 O OG1 . THR A 1 677 ? 48.660 50.808 15.930 1.00 37.22 ? 759 THR A OG1 1 ATOM 4402 C CG2 . THR A 1 677 ? 49.183 48.473 15.666 1.00 29.69 ? 759 THR A CG2 1 ATOM 4403 N N . LEU A 1 678 ? 45.915 47.849 14.486 1.00 33.70 ? 760 LEU A N 1 ATOM 4404 C CA . LEU A 1 678 ? 45.326 46.521 14.301 1.00 32.00 ? 760 LEU A CA 1 ATOM 4405 C C . LEU A 1 678 ? 44.677 46.334 12.935 1.00 33.36 ? 760 LEU A C 1 ATOM 4406 O O . LEU A 1 678 ? 44.889 45.317 12.274 1.00 42.01 ? 760 LEU A O 1 ATOM 4407 C CB . LEU A 1 678 ? 44.308 46.213 15.404 1.00 38.12 ? 760 LEU A CB 1 ATOM 4408 C CG . LEU A 1 678 ? 44.801 45.564 16.704 1.00 48.68 ? 760 LEU A CG 1 ATOM 4409 C CD1 . LEU A 1 678 ? 46.259 45.889 16.995 1.00 53.12 ? 760 LEU A CD1 1 ATOM 4410 C CD2 . LEU A 1 678 ? 43.911 45.961 17.876 1.00 48.68 ? 760 LEU A CD2 1 ATOM 4411 N N . LEU A 1 679 ? 43.877 47.313 12.527 1.00 26.28 ? 761 LEU A N 1 ATOM 4412 C CA . LEU A 1 679 ? 43.107 47.217 11.291 1.00 39.53 ? 761 LEU A CA 1 ATOM 4413 C C . LEU A 1 679 ? 44.008 47.086 10.066 1.00 49.47 ? 761 LEU A C 1 ATOM 4414 O O . LEU A 1 679 ? 43.681 46.365 9.123 1.00 58.19 ? 761 LEU A O 1 ATOM 4415 C CB . LEU A 1 679 ? 42.182 48.426 11.144 1.00 46.90 ? 761 LEU A CB 1 ATOM 4416 C CG . LEU A 1 679 ? 40.718 48.092 10.852 1.00 48.84 ? 761 LEU A CG 1 ATOM 4417 C CD1 . LEU A 1 679 ? 40.151 47.199 11.946 1.00 39.79 ? 761 LEU A CD1 1 ATOM 4418 C CD2 . LEU A 1 679 ? 39.891 49.360 10.715 1.00 52.33 ? 761 LEU A CD2 1 ATOM 4419 N N . GLN A 1 680 ? 45.141 47.781 10.081 1.00 44.85 ? 762 GLN A N 1 ATOM 4420 C CA . GLN A 1 680 ? 46.078 47.724 8.964 1.00 36.60 ? 762 GLN A CA 1 ATOM 4421 C C . GLN A 1 680 ? 46.791 46.378 8.950 1.00 34.79 ? 762 GLN A C 1 ATOM 4422 O O . GLN A 1 680 ? 47.096 45.839 7.886 1.00 43.29 ? 762 GLN A O 1 ATOM 4423 C CB . GLN A 1 680 ? 47.088 48.870 9.029 1.00 47.74 ? 762 GLN A CB 1 ATOM 4424 C CG . GLN A 1 680 ? 46.480 50.252 8.876 1.00 51.90 ? 762 GLN A CG 1 ATOM 4425 C CD . GLN A 1 680 ? 47.528 51.345 8.869 1.00 49.73 ? 762 GLN A CD 1 ATOM 4426 O OE1 . GLN A 1 680 ? 48.727 51.072 8.932 1.00 54.63 ? 762 GLN A OE1 1 ATOM 4427 N NE2 . GLN A 1 680 ? 47.082 52.593 8.787 1.00 44.37 ? 762 GLN A NE2 1 ATOM 4428 N N . ARG A 1 681 ? 47.055 45.843 10.137 1.00 36.65 ? 763 ARG A N 1 ATOM 4429 C CA . ARG A 1 681 ? 47.714 44.550 10.260 1.00 43.43 ? 763 ARG A CA 1 ATOM 4430 C C . ARG A 1 681 ? 46.789 43.448 9.760 1.00 41.90 ? 763 ARG A C 1 ATOM 4431 O O . ARG A 1 681 ? 47.231 42.504 9.108 1.00 49.45 ? 763 ARG A O 1 ATOM 4432 C CB . ARG A 1 681 ? 48.131 44.275 11.709 1.00 53.06 ? 763 ARG A CB 1 ATOM 4433 C CG . ARG A 1 681 ? 49.373 45.035 12.155 1.00 67.82 ? 763 ARG A CG 1 ATOM 4434 C CD . ARG A 1 681 ? 50.138 44.292 13.248 1.00 75.17 ? 763 ARG A CD 1 ATOM 4435 N NE . ARG A 1 681 ? 49.363 44.145 14.479 1.00 77.13 ? 763 ARG A NE 1 ATOM 4436 C CZ . ARG A 1 681 ? 48.748 43.027 14.854 1.00 78.73 ? 763 ARG A CZ 1 ATOM 4437 N NH1 . ARG A 1 681 ? 48.069 42.993 15.993 1.00 82.22 ? 763 ARG A NH1 1 ATOM 4438 N NH2 . ARG A 1 681 ? 48.809 41.943 14.093 1.00 75.29 ? 763 ARG A NH2 1 ATOM 4439 N N . TYR A 1 682 ? 45.504 43.578 10.069 1.00 38.30 ? 764 TYR A N 1 ATOM 4440 C CA . TYR A 1 682 ? 44.519 42.587 9.659 1.00 35.95 ? 764 TYR A CA 1 ATOM 4441 C C . TYR A 1 682 ? 44.309 42.592 8.148 1.00 38.48 ? 764 TYR A C 1 ATOM 4442 O O . TYR A 1 682 ? 43.945 41.574 7.561 1.00 39.14 ? 764 TYR A O 1 ATOM 4443 C CB . TYR A 1 682 ? 43.188 42.823 10.379 1.00 41.85 ? 764 TYR A CB 1 ATOM 4444 C CG . TYR A 1 682 ? 43.248 42.631 11.878 1.00 38.52 ? 764 TYR A CG 1 ATOM 4445 C CD1 . TYR A 1 682 ? 44.226 41.835 12.459 1.00 31.45 ? 764 TYR A CD1 1 ATOM 4446 C CD2 . TYR A 1 682 ? 42.328 43.254 12.712 1.00 44.30 ? 764 TYR A CD2 1 ATOM 4447 C CE1 . TYR A 1 682 ? 44.282 41.662 13.830 1.00 41.43 ? 764 TYR A CE1 1 ATOM 4448 C CE2 . TYR A 1 682 ? 42.376 43.086 14.084 1.00 45.40 ? 764 TYR A CE2 1 ATOM 4449 C CZ . TYR A 1 682 ? 43.355 42.290 14.637 1.00 41.99 ? 764 TYR A CZ 1 ATOM 4450 O OH . TYR A 1 682 ? 43.405 42.122 16.001 1.00 35.50 ? 764 TYR A OH 1 ATOM 4451 N N . ALA A 1 683 ? 44.544 43.743 7.523 1.00 42.70 ? 765 ALA A N 1 ATOM 4452 C CA . ALA A 1 683 ? 44.413 43.865 6.075 1.00 48.27 ? 765 ALA A CA 1 ATOM 4453 C C . ALA A 1 683 ? 45.537 43.150 5.336 1.00 63.19 ? 765 ALA A C 1 ATOM 4454 O O . ALA A 1 683 ? 45.368 42.725 4.194 1.00 78.24 ? 765 ALA A O 1 ATOM 4455 C CB . ALA A 1 683 ? 44.371 45.326 5.667 1.00 44.33 ? 765 ALA A CB 1 ATOM 4456 N N . HIS A 1 684 ? 46.689 43.029 5.988 1.00 61.69 ? 766 HIS A N 1 ATOM 4457 C CA . HIS A 1 684 ? 47.827 42.328 5.406 1.00 59.55 ? 766 HIS A CA 1 ATOM 4458 C C . HIS A 1 684 ? 47.683 40.827 5.627 1.00 49.85 ? 766 HIS A C 1 ATOM 4459 O O . HIS A 1 684 ? 47.979 40.024 4.742 1.00 49.17 ? 766 HIS A O 1 ATOM 4460 C CB . HIS A 1 684 ? 49.146 42.827 6.002 1.00 72.87 ? 766 HIS A CB 1 ATOM 4461 C CG . HIS A 1 684 ? 49.627 44.119 5.415 1.00 90.18 ? 766 HIS A CG 1 ATOM 4462 N ND1 . HIS A 1 684 ? 49.022 45.328 5.680 1.00 99.15 ? 766 HIS A ND1 1 ATOM 4463 C CD2 . HIS A 1 684 ? 50.652 44.388 4.571 1.00 93.29 ? 766 HIS A CD2 1 ATOM 4464 C CE1 . HIS A 1 684 ? 49.656 46.288 5.031 1.00 99.28 ? 766 HIS A CE1 1 ATOM 4465 N NE2 . HIS A 1 684 ? 50.647 45.744 4.347 1.00 97.59 ? 766 HIS A NE2 1 ATOM 4466 N N . GLU A 1 685 ? 47.228 40.459 6.820 1.00 44.79 ? 767 GLU A N 1 ATOM 4467 C CA . GLU A 1 685 ? 47.071 39.058 7.186 1.00 52.62 ? 767 GLU A CA 1 ATOM 4468 C C . GLU A 1 685 ? 45.921 38.390 6.436 1.00 56.84 ? 767 GLU A C 1 ATOM 4469 O O . GLU A 1 685 ? 46.013 37.224 6.055 1.00 65.62 ? 767 GLU A O 1 ATOM 4470 C CB . GLU A 1 685 ? 46.848 38.927 8.695 1.00 55.59 ? 767 GLU A CB 1 ATOM 4471 C CG . GLU A 1 685 ? 48.001 39.427 9.550 1.00 60.79 ? 767 GLU A CG 1 ATOM 4472 C CD . GLU A 1 685 ? 47.681 39.389 11.031 1.00 69.77 ? 767 GLU A CD 1 ATOM 4473 O OE1 . GLU A 1 685 ? 46.496 39.195 11.379 1.00 72.93 ? 767 GLU A OE1 1 ATOM 4474 O OE2 . GLU A 1 685 ? 48.611 39.559 11.848 1.00 71.82 ? 767 GLU A OE2 1 ATOM 4475 N N . ARG A 1 686 ? 44.842 39.136 6.227 1.00 49.25 ? 768 ARG A N 1 ATOM 4476 C CA . ARG A 1 686 ? 43.640 38.594 5.603 1.00 42.93 ? 768 ARG A CA 1 ATOM 4477 C C . ARG A 1 686 ? 43.428 39.135 4.191 1.00 46.78 ? 768 ARG A C 1 ATOM 4478 O O . ARG A 1 686 ? 42.344 38.991 3.623 1.00 43.49 ? 768 ARG A O 1 ATOM 4479 C CB . ARG A 1 686 ? 42.419 38.890 6.477 1.00 33.20 ? 768 ARG A CB 1 ATOM 4480 C CG . ARG A 1 686 ? 42.547 38.319 7.882 1.00 32.16 ? 768 ARG A CG 1 ATOM 4481 C CD . ARG A 1 686 ? 41.682 39.051 8.896 1.00 43.96 ? 768 ARG A CD 1 ATOM 4482 N NE . ARG A 1 686 ? 40.256 38.842 8.655 1.00 58.74 ? 768 ARG A NE 1 ATOM 4483 C CZ . ARG A 1 686 ? 39.301 39.144 9.528 1.00 53.48 ? 768 ARG A CZ 1 ATOM 4484 N NH1 . ARG A 1 686 ? 39.620 39.665 10.705 1.00 60.68 ? 768 ARG A NH1 1 ATOM 4485 N NH2 . ARG A 1 686 ? 38.028 38.924 9.227 1.00 27.76 ? 768 ARG A NH2 1 ATOM 4486 N N . ASN A 1 687 ? 44.468 39.754 3.636 1.00 45.65 ? 769 ASN A N 1 ATOM 4487 C CA . ASN A 1 687 ? 44.413 40.343 2.297 1.00 40.06 ? 769 ASN A CA 1 ATOM 4488 C C . ASN A 1 687 ? 43.262 41.333 2.126 1.00 33.77 ? 769 ASN A C 1 ATOM 4489 O O . ASN A 1 687 ? 42.474 41.233 1.186 1.00 21.00 ? 769 ASN A O 1 ATOM 4490 C CB . ASN A 1 687 ? 44.345 39.253 1.224 1.00 42.89 ? 769 ASN A CB 1 ATOM 4491 C CG . ASN A 1 687 ? 44.725 39.766 -0.154 1.00 42.52 ? 769 ASN A CG 1 ATOM 4492 O OD1 . ASN A 1 687 ? 45.901 39.805 -0.512 1.00 54.25 ? 769 ASN A OD1 1 ATOM 4493 N ND2 . ASN A 1 687 ? 43.725 40.162 -0.933 1.00 33.67 ? 769 ASN A ND2 1 ATOM 4494 N N . GLY A 1 688 ? 43.168 42.283 3.051 1.00 37.60 ? 770 GLY A N 1 ATOM 4495 C CA . GLY A 1 688 ? 42.098 43.261 3.027 1.00 29.81 ? 770 GLY A CA 1 ATOM 4496 C C . GLY A 1 688 ? 40.931 42.863 3.908 1.00 39.41 ? 770 GLY A C 1 ATOM 4497 O O . GLY A 1 688 ? 40.675 41.678 4.122 1.00 44.44 ? 770 GLY A O 1 ATOM 4498 N N . ILE A 1 689 ? 40.221 43.861 4.421 1.00 38.52 ? 771 ILE A N 1 ATOM 4499 C CA . ILE A 1 689 ? 39.054 43.626 5.262 1.00 26.18 ? 771 ILE A CA 1 ATOM 4500 C C . ILE A 1 689 ? 37.929 44.592 4.910 1.00 20.75 ? 771 ILE A C 1 ATOM 4501 O O . ILE A 1 689 ? 38.173 45.755 4.591 1.00 33.24 ? 771 ILE A O 1 ATOM 4502 C CB . ILE A 1 689 ? 39.380 43.774 6.764 1.00 31.92 ? 771 ILE A CB 1 ATOM 4503 C CG1 . ILE A 1 689 ? 40.086 45.103 7.033 1.00 36.30 ? 771 ILE A CG1 1 ATOM 4504 C CG2 . ILE A 1 689 ? 40.245 42.622 7.247 1.00 33.11 ? 771 ILE A CG2 1 ATOM 4505 C CD1 . ILE A 1 689 ? 40.429 45.319 8.486 1.00 42.47 ? 771 ILE A CD1 1 ATOM 4506 N N . ASN A 1 690 ? 36.695 44.103 4.962 1.00 23.26 ? 772 ASN A N 1 ATOM 4507 C CA . ASN A 1 690 ? 35.533 44.973 4.852 1.00 24.07 ? 772 ASN A CA 1 ATOM 4508 C C . ASN A 1 690 ? 35.021 45.327 6.242 1.00 30.77 ? 772 ASN A C 1 ATOM 4509 O O . ASN A 1 690 ? 34.754 44.446 7.059 1.00 36.99 ? 772 ASN A O 1 ATOM 4510 C CB . ASN A 1 690 ? 34.425 44.317 4.028 1.00 18.80 ? 772 ASN A CB 1 ATOM 4511 C CG . ASN A 1 690 ? 33.164 45.161 3.965 1.00 18.10 ? 772 ASN A CG 1 ATOM 4512 O OD1 . ASN A 1 690 ? 32.210 44.929 4.707 1.00 15.56 ? 772 ASN A OD1 1 ATOM 4513 N ND2 . ASN A 1 690 ? 33.155 46.148 3.077 1.00 12.79 ? 772 ASN A ND2 1 ATOM 4514 N N . VAL A 1 691 ? 34.888 46.621 6.508 1.00 21.47 ? 773 VAL A N 1 ATOM 4515 C CA . VAL A 1 691 ? 34.529 47.074 7.842 1.00 22.65 ? 773 VAL A CA 1 ATOM 4516 C C . VAL A 1 691 ? 33.160 47.741 7.882 1.00 31.07 ? 773 VAL A C 1 ATOM 4517 O O . VAL A 1 691 ? 32.845 48.598 7.055 1.00 32.41 ? 773 VAL A O 1 ATOM 4518 C CB . VAL A 1 691 ? 35.581 48.056 8.397 1.00 20.91 ? 773 VAL A CB 1 ATOM 4519 C CG1 . VAL A 1 691 ? 35.248 48.451 9.829 1.00 20.43 ? 773 VAL A CG1 1 ATOM 4520 C CG2 . VAL A 1 691 ? 36.970 47.445 8.314 1.00 23.56 ? 773 VAL A CG2 1 ATOM 4521 N N . VAL A 1 692 ? 32.352 47.337 8.856 1.00 30.00 ? 774 VAL A N 1 ATOM 4522 C CA . VAL A 1 692 ? 31.093 48.005 9.142 1.00 30.77 ? 774 VAL A CA 1 ATOM 4523 C C . VAL A 1 692 ? 31.094 48.399 10.612 1.00 26.01 ? 774 VAL A C 1 ATOM 4524 O O . VAL A 1 692 ? 31.220 47.546 11.489 1.00 33.63 ? 774 VAL A O 1 ATOM 4525 C CB . VAL A 1 692 ? 29.877 47.107 8.842 1.00 36.39 ? 774 VAL A CB 1 ATOM 4526 C CG1 . VAL A 1 692 ? 28.583 47.839 9.167 1.00 28.52 ? 774 VAL A CG1 1 ATOM 4527 C CG2 . VAL A 1 692 ? 29.889 46.660 7.390 1.00 41.08 ? 774 VAL A CG2 1 ATOM 4528 N N . SER A 1 693 ? 30.949 49.692 10.878 1.00 23.15 ? 775 SER A N 1 ATOM 4529 C CA . SER A 1 693 ? 30.995 50.193 12.246 1.00 24.33 ? 775 SER A CA 1 ATOM 4530 C C . SER A 1 693 ? 29.798 51.079 12.557 1.00 28.90 ? 775 SER A C 1 ATOM 4531 O O . SER A 1 693 ? 29.145 51.593 11.650 1.00 36.93 ? 775 SER A O 1 ATOM 4532 C CB . SER A 1 693 ? 32.290 50.969 12.487 1.00 28.38 ? 775 SER A CB 1 ATOM 4533 O OG . SER A 1 693 ? 33.420 50.147 12.255 1.00 46.92 ? 775 SER A OG 1 ATOM 4534 N N . GLY A 1 694 ? 29.516 51.257 13.843 1.00 28.36 ? 776 GLY A N 1 ATOM 4535 C CA . GLY A 1 694 ? 28.427 52.118 14.266 1.00 35.55 ? 776 GLY A CA 1 ATOM 4536 C C . GLY A 1 694 ? 28.230 52.150 15.769 1.00 38.14 ? 776 GLY A C 1 ATOM 4537 O O . GLY A 1 694 ? 28.813 51.344 16.494 1.00 33.65 ? 776 GLY A O 1 ATOM 4538 N N . PRO A 1 695 ? 27.405 53.094 16.246 1.00 44.70 ? 777 PRO A N 1 ATOM 4539 C CA . PRO A 1 695 ? 27.111 53.279 17.670 1.00 41.51 ? 777 PRO A CA 1 ATOM 4540 C C . PRO A 1 695 ? 26.097 52.258 18.174 1.00 37.66 ? 777 PRO A C 1 ATOM 4541 O O . PRO A 1 695 ? 25.289 51.752 17.395 1.00 39.29 ? 777 PRO A O 1 ATOM 4542 C CB . PRO A 1 695 ? 26.497 54.678 17.709 1.00 39.09 ? 777 PRO A CB 1 ATOM 4543 C CG . PRO A 1 695 ? 25.825 54.813 16.390 1.00 43.44 ? 777 PRO A CG 1 ATOM 4544 C CD . PRO A 1 695 ? 26.703 54.081 15.407 1.00 44.92 ? 777 PRO A CD 1 ATOM 4545 N N . VAL A 1 696 ? 26.149 51.958 19.468 1.00 35.26 ? 778 VAL A N 1 ATOM 4546 C CA . VAL A 1 696 ? 25.221 51.014 20.079 1.00 35.00 ? 778 VAL A CA 1 ATOM 4547 C C . VAL A 1 696 ? 24.513 51.649 21.272 1.00 38.16 ? 778 VAL A C 1 ATOM 4548 O O . VAL A 1 696 ? 25.155 52.222 22.152 1.00 34.54 ? 778 VAL A O 1 ATOM 4549 C CB . VAL A 1 696 ? 25.942 49.734 20.542 1.00 32.28 ? 778 VAL A CB 1 ATOM 4550 C CG1 . VAL A 1 696 ? 24.963 48.782 21.208 1.00 27.39 ? 778 VAL A CG1 1 ATOM 4551 C CG2 . VAL A 1 696 ? 26.636 49.059 19.370 1.00 33.51 ? 778 VAL A CG2 1 ATOM 4552 N N . PHE A 1 697 ? 23.188 51.545 21.295 1.00 41.56 ? 779 PHE A N 1 ATOM 4553 C CA . PHE A 1 697 ? 22.396 52.121 22.375 1.00 42.06 ? 779 PHE A CA 1 ATOM 4554 C C . PHE A 1 697 ? 21.551 51.068 23.079 1.00 41.16 ? 779 PHE A C 1 ATOM 4555 O O . PHE A 1 697 ? 20.456 50.734 22.625 1.00 45.81 ? 779 PHE A O 1 ATOM 4556 C CB . PHE A 1 697 ? 21.489 53.230 21.841 1.00 49.26 ? 779 PHE A CB 1 ATOM 4557 C CG . PHE A 1 697 ? 22.214 54.282 21.057 1.00 52.53 ? 779 PHE A CG 1 ATOM 4558 C CD1 . PHE A 1 697 ? 22.850 55.329 21.698 1.00 49.31 ? 779 PHE A CD1 1 ATOM 4559 C CD2 . PHE A 1 697 ? 22.261 54.220 19.674 1.00 57.84 ? 779 PHE A CD2 1 ATOM 4560 C CE1 . PHE A 1 697 ? 23.514 56.298 20.976 1.00 50.76 ? 779 PHE A CE1 1 ATOM 4561 C CE2 . PHE A 1 697 ? 22.927 55.186 18.948 1.00 61.14 ? 779 PHE A CE2 1 ATOM 4562 C CZ . PHE A 1 697 ? 23.555 56.224 19.602 1.00 57.57 ? 779 PHE A CZ 1 ATOM 4563 N N . ASP A 1 698 ? 22.061 50.548 24.191 1.00 38.36 ? 780 ASP A N 1 ATOM 4564 C CA . ASP A 1 698 ? 21.306 49.599 24.997 1.00 33.04 ? 780 ASP A CA 1 ATOM 4565 C C . ASP A 1 698 ? 21.408 49.973 26.471 1.00 36.05 ? 780 ASP A C 1 ATOM 4566 O O . ASP A 1 698 ? 22.199 49.396 27.218 1.00 39.06 ? 780 ASP A O 1 ATOM 4567 C CB . ASP A 1 698 ? 21.802 48.170 24.777 1.00 28.96 ? 780 ASP A CB 1 ATOM 4568 C CG . ASP A 1 698 ? 20.877 47.133 25.382 1.00 35.63 ? 780 ASP A CG 1 ATOM 4569 O OD1 . ASP A 1 698 ? 19.649 47.372 25.410 1.00 27.02 ? 780 ASP A OD1 1 ATOM 4570 O OD2 . ASP A 1 698 ? 21.377 46.077 25.825 1.00 39.50 ? 780 ASP A OD2 1 ATOM 4571 N N . PHE A 1 699 ? 20.599 50.943 26.881 1.00 24.86 ? 781 PHE A N 1 ATOM 4572 C CA . PHE A 1 699 ? 20.637 51.446 28.248 1.00 29.58 ? 781 PHE A CA 1 ATOM 4573 C C . PHE A 1 699 ? 19.941 50.501 29.224 1.00 27.26 ? 781 PHE A C 1 ATOM 4574 O O . PHE A 1 699 ? 20.225 50.515 30.421 1.00 25.11 ? 781 PHE A O 1 ATOM 4575 C CB . PHE A 1 699 ? 20.007 52.838 28.321 1.00 34.06 ? 781 PHE A CB 1 ATOM 4576 C CG . PHE A 1 699 ? 20.682 53.854 27.441 1.00 29.18 ? 781 PHE A CG 1 ATOM 4577 C CD1 . PHE A 1 699 ? 21.828 54.507 27.865 1.00 33.66 ? 781 PHE A CD1 1 ATOM 4578 C CD2 . PHE A 1 699 ? 20.170 54.155 26.191 1.00 28.78 ? 781 PHE A CD2 1 ATOM 4579 C CE1 . PHE A 1 699 ? 22.451 55.441 27.055 1.00 36.20 ? 781 PHE A CE1 1 ATOM 4580 C CE2 . PHE A 1 699 ? 20.788 55.087 25.377 1.00 34.05 ? 781 PHE A CE2 1 ATOM 4581 C CZ . PHE A 1 699 ? 21.930 55.730 25.810 1.00 36.98 ? 781 PHE A CZ 1 ATOM 4582 N N . ASP A 1 700 ? 19.026 49.685 28.707 1.00 24.19 ? 782 ASP A N 1 ATOM 4583 C CA . ASP A 1 700 ? 18.295 48.733 29.539 1.00 31.55 ? 782 ASP A CA 1 ATOM 4584 C C . ASP A 1 700 ? 19.014 47.389 29.626 1.00 33.23 ? 782 ASP A C 1 ATOM 4585 O O . ASP A 1 700 ? 18.482 46.429 30.186 1.00 31.59 ? 782 ASP A O 1 ATOM 4586 C CB . ASP A 1 700 ? 16.867 48.544 29.025 1.00 32.73 ? 782 ASP A CB 1 ATOM 4587 C CG . ASP A 1 700 ? 16.820 48.174 27.559 1.00 45.23 ? 782 ASP A CG 1 ATOM 4588 O OD1 . ASP A 1 700 ? 17.795 48.474 26.839 1.00 55.71 ? 782 ASP A OD1 1 ATOM 4589 O OD2 . ASP A 1 700 ? 15.807 47.588 27.125 1.00 46.19 ? 782 ASP A OD2 1 ATOM 4590 N N . TYR A 1 701 ? 20.230 47.347 29.082 1.00 35.00 ? 783 TYR A N 1 ATOM 4591 C CA . TYR A 1 701 ? 21.104 46.167 29.105 1.00 39.91 ? 783 TYR A CA 1 ATOM 4592 C C . TYR A 1 701 ? 20.403 44.821 28.895 1.00 25.34 ? 783 TYR A C 1 ATOM 4593 O O . TYR A 1 701 ? 20.662 43.860 29.616 1.00 22.80 ? 783 TYR A O 1 ATOM 4594 C CB . TYR A 1 701 ? 21.974 46.139 30.373 1.00 49.08 ? 783 TYR A CB 1 ATOM 4595 C CG . TYR A 1 701 ? 21.222 46.313 31.676 1.00 56.51 ? 783 TYR A CG 1 ATOM 4596 C CD1 . TYR A 1 701 ? 20.675 45.221 32.336 1.00 65.30 ? 783 TYR A CD1 1 ATOM 4597 C CD2 . TYR A 1 701 ? 21.074 47.567 32.255 1.00 49.47 ? 783 TYR A CD2 1 ATOM 4598 C CE1 . TYR A 1 701 ? 19.992 45.371 33.527 1.00 68.66 ? 783 TYR A CE1 1 ATOM 4599 C CE2 . TYR A 1 701 ? 20.390 47.727 33.447 1.00 52.78 ? 783 TYR A CE2 1 ATOM 4600 C CZ . TYR A 1 701 ? 19.852 46.625 34.079 1.00 64.91 ? 783 TYR A CZ 1 ATOM 4601 O OH . TYR A 1 701 ? 19.172 46.778 35.266 1.00 69.70 ? 783 TYR A OH 1 ATOM 4602 N N . ASP A 1 702 ? 19.531 44.754 27.893 1.00 21.47 ? 784 ASP A N 1 ATOM 4603 C CA . ASP A 1 702 ? 18.813 43.517 27.591 1.00 29.92 ? 784 ASP A CA 1 ATOM 4604 C C . ASP A 1 702 ? 19.403 42.786 26.387 1.00 32.22 ? 784 ASP A C 1 ATOM 4605 O O . ASP A 1 702 ? 19.004 41.664 26.076 1.00 34.88 ? 784 ASP A O 1 ATOM 4606 C CB . ASP A 1 702 ? 17.334 43.812 27.344 1.00 22.05 ? 784 ASP A CB 1 ATOM 4607 C CG . ASP A 1 702 ? 17.121 44.781 26.203 1.00 29.05 ? 784 ASP A CG 1 ATOM 4608 O OD1 . ASP A 1 702 ? 18.063 45.539 25.893 1.00 34.02 ? 784 ASP A OD1 1 ATOM 4609 O OD2 . ASP A 1 702 ? 16.018 44.788 25.619 1.00 36.89 ? 784 ASP A OD2 1 ATOM 4610 N N . GLY A 1 703 ? 20.353 43.428 25.717 1.00 26.18 ? 785 GLY A N 1 ATOM 4611 C CA . GLY A 1 703 ? 21.007 42.840 24.564 1.00 30.28 ? 785 GLY A CA 1 ATOM 4612 C C . GLY A 1 703 ? 20.309 43.161 23.257 1.00 42.14 ? 785 GLY A C 1 ATOM 4613 O O . GLY A 1 703 ? 20.743 42.727 22.188 1.00 46.13 ? 785 GLY A O 1 ATOM 4614 N N . ARG A 1 704 ? 19.222 43.921 23.341 1.00 42.56 ? 786 ARG A N 1 ATOM 4615 C CA . ARG A 1 704 ? 18.468 44.312 22.156 1.00 42.37 ? 786 ARG A CA 1 ATOM 4616 C C . ARG A 1 704 ? 18.411 45.831 22.052 1.00 51.77 ? 786 ARG A C 1 ATOM 4617 O O . ARG A 1 704 ? 18.640 46.534 23.036 1.00 61.93 ? 786 ARG A O 1 ATOM 4618 C CB . ARG A 1 704 ? 17.061 43.706 22.173 1.00 36.53 ? 786 ARG A CB 1 ATOM 4619 C CG . ARG A 1 704 ? 17.033 42.201 22.402 1.00 39.96 ? 786 ARG A CG 1 ATOM 4620 C CD . ARG A 1 704 ? 15.938 41.531 21.577 1.00 54.98 ? 786 ARG A CD 1 ATOM 4621 N NE . ARG A 1 704 ? 14.590 41.851 22.039 1.00 62.26 ? 786 ARG A NE 1 ATOM 4622 C CZ . ARG A 1 704 ? 13.483 41.344 21.505 1.00 67.31 ? 786 ARG A CZ 1 ATOM 4623 N NH1 . ARG A 1 704 ? 13.563 40.491 20.492 1.00 70.67 ? 786 ARG A NH1 1 ATOM 4624 N NH2 . ARG A 1 704 ? 12.295 41.685 21.984 1.00 70.66 ? 786 ARG A NH2 1 ATOM 4625 N N . TYR A 1 705 ? 18.121 46.337 20.857 1.00 50.00 ? 787 TYR A N 1 ATOM 4626 C CA . TYR A 1 705 ? 18.088 47.779 20.632 1.00 45.89 ? 787 TYR A CA 1 ATOM 4627 C C . TYR A 1 705 ? 16.959 48.461 21.396 1.00 48.75 ? 787 TYR A C 1 ATOM 4628 O O . TYR A 1 705 ? 15.887 47.885 21.589 1.00 47.41 ? 787 TYR A O 1 ATOM 4629 C CB . TYR A 1 705 ? 17.988 48.106 19.141 1.00 36.23 ? 787 TYR A CB 1 ATOM 4630 C CG . TYR A 1 705 ? 16.707 47.634 18.492 1.00 33.11 ? 787 TYR A CG 1 ATOM 4631 C CD1 . TYR A 1 705 ? 16.591 46.347 17.987 1.00 40.54 ? 787 TYR A CD1 1 ATOM 4632 C CD2 . TYR A 1 705 ? 15.598 48.467 18.422 1.00 27.53 ? 787 TYR A CD2 1 ATOM 4633 C CE1 . TYR A 1 705 ? 15.418 45.913 17.399 1.00 40.63 ? 787 TYR A CE1 1 ATOM 4634 C CE2 . TYR A 1 705 ? 14.421 48.042 17.840 1.00 32.90 ? 787 TYR A CE2 1 ATOM 4635 C CZ . TYR A 1 705 ? 14.335 46.767 17.331 1.00 37.80 ? 787 TYR A CZ 1 ATOM 4636 O OH . TYR A 1 705 ? 13.163 46.344 16.749 1.00 31.46 ? 787 TYR A OH 1 ATOM 4637 N N . ASP A 1 706 ? 17.210 49.691 21.831 1.00 46.43 ? 788 ASP A N 1 ATOM 4638 C CA . ASP A 1 706 ? 16.247 50.425 22.641 1.00 41.30 ? 788 ASP A CA 1 ATOM 4639 C C . ASP A 1 706 ? 15.187 51.100 21.776 1.00 39.79 ? 788 ASP A C 1 ATOM 4640 O O . ASP A 1 706 ? 15.451 51.482 20.636 1.00 39.40 ? 788 ASP A O 1 ATOM 4641 C CB . ASP A 1 706 ? 16.954 51.469 23.509 1.00 38.76 ? 788 ASP A CB 1 ATOM 4642 C CG . ASP A 1 706 ? 17.983 50.858 24.436 1.00 41.06 ? 788 ASP A CG 1 ATOM 4643 O OD1 . ASP A 1 706 ? 18.008 49.618 24.567 1.00 47.75 ? 788 ASP A OD1 1 ATOM 4644 O OD2 . ASP A 1 706 ? 18.766 51.623 25.037 1.00 37.19 ? 788 ASP A OD2 1 ATOM 4645 N N . SER A 1 707 ? 13.986 51.241 22.329 1.00 48.38 ? 789 SER A N 1 ATOM 4646 C CA . SER A 1 707 ? 12.898 51.928 21.646 1.00 51.86 ? 789 SER A CA 1 ATOM 4647 C C . SER A 1 707 ? 13.104 53.438 21.747 1.00 53.19 ? 789 SER A C 1 ATOM 4648 O O . SER A 1 707 ? 13.958 53.906 22.500 1.00 49.34 ? 789 SER A O 1 ATOM 4649 C CB . SER A 1 707 ? 11.546 51.536 22.244 1.00 58.91 ? 789 SER A CB 1 ATOM 4650 O OG . SER A 1 707 ? 11.462 51.898 23.610 1.00 58.03 ? 789 SER A OG 1 ATOM 4651 N N . LEU A 1 708 ? 12.322 54.193 20.981 1.00 59.89 ? 790 LEU A N 1 ATOM 4652 C CA . LEU A 1 708 ? 12.435 55.650 20.952 1.00 60.78 ? 790 LEU A CA 1 ATOM 4653 C C . LEU A 1 708 ? 12.114 56.236 22.325 1.00 51.73 ? 790 LEU A C 1 ATOM 4654 O O . LEU A 1 708 ? 12.669 57.261 22.722 1.00 48.04 ? 790 LEU A O 1 ATOM 4655 C CB . LEU A 1 708 ? 11.512 56.243 19.878 1.00 72.09 ? 790 LEU A CB 1 ATOM 4656 C CG . LEU A 1 708 ? 11.714 57.651 19.297 1.00 77.24 ? 790 LEU A CG 1 ATOM 4657 C CD1 . LEU A 1 708 ? 11.395 58.766 20.288 1.00 81.55 ? 790 LEU A CD1 1 ATOM 4658 C CD2 . LEU A 1 708 ? 13.134 57.799 18.768 1.00 73.70 ? 790 LEU A CD2 1 ATOM 4659 N N . GLU A 1 709 ? 11.234 55.559 23.054 1.00 53.81 ? 791 GLU A N 1 ATOM 4660 C CA . GLU A 1 709 ? 10.793 56.014 24.368 1.00 61.33 ? 791 GLU A CA 1 ATOM 4661 C C . GLU A 1 709 ? 11.924 56.020 25.394 1.00 66.59 ? 791 GLU A C 1 ATOM 4662 O O . GLU A 1 709 ? 12.148 57.017 26.080 1.00 72.10 ? 791 GLU A O 1 ATOM 4663 C CB . GLU A 1 709 ? 9.611 55.177 24.867 1.00 57.01 ? 791 GLU A CB 1 ATOM 4664 N N . ILE A 1 710 ? 12.635 54.901 25.487 1.00 59.56 ? 792 ILE A N 1 ATOM 4665 C CA . ILE A 1 710 ? 13.741 54.760 26.429 1.00 54.64 ? 792 ILE A CA 1 ATOM 4666 C C . ILE A 1 710 ? 15.008 55.491 25.963 1.00 52.02 ? 792 ILE A C 1 ATOM 4667 O O . ILE A 1 710 ? 15.844 55.893 26.776 1.00 49.60 ? 792 ILE A O 1 ATOM 4668 C CB . ILE A 1 710 ? 14.034 53.260 26.718 1.00 58.98 ? 792 ILE A CB 1 ATOM 4669 C CG1 . ILE A 1 710 ? 15.367 53.067 27.441 1.00 64.91 ? 792 ILE A CG1 1 ATOM 4670 C CG2 . ILE A 1 710 ? 14.017 52.458 25.430 1.00 54.03 ? 792 ILE A CG2 1 ATOM 4671 C CD1 . ILE A 1 710 ? 15.693 51.625 27.725 1.00 66.10 ? 792 ILE A CD1 1 ATOM 4672 N N . LEU A 1 711 ? 15.120 55.715 24.657 1.00 59.04 ? 793 LEU A N 1 ATOM 4673 C CA . LEU A 1 711 ? 16.244 56.472 24.112 1.00 62.95 ? 793 LEU A CA 1 ATOM 4674 C C . LEU A 1 711 ? 16.201 57.919 24.593 1.00 69.31 ? 793 LEU A C 1 ATOM 4675 O O . LEU A 1 711 ? 17.235 58.518 24.893 1.00 71.09 ? 793 LEU A O 1 ATOM 4676 C CB . LEU A 1 711 ? 16.249 56.428 22.583 1.00 52.54 ? 793 LEU A CB 1 ATOM 4677 C CG . LEU A 1 711 ? 16.901 55.212 21.922 1.00 49.58 ? 793 LEU A CG 1 ATOM 4678 C CD1 . LEU A 1 711 ? 16.821 55.320 20.407 1.00 49.05 ? 793 LEU A CD1 1 ATOM 4679 C CD2 . LEU A 1 711 ? 18.343 55.065 22.377 1.00 51.28 ? 793 LEU A CD2 1 ATOM 4680 N N . LYS A 1 712 ? 14.994 58.470 24.666 1.00 67.38 ? 794 LYS A N 1 ATOM 4681 C CA . LYS A 1 712 ? 14.797 59.844 25.111 1.00 60.21 ? 794 LYS A CA 1 ATOM 4682 C C . LYS A 1 712 ? 15.001 59.979 26.616 1.00 56.21 ? 794 LYS A C 1 ATOM 4683 O O . LYS A 1 712 ? 15.313 61.062 27.111 1.00 59.34 ? 794 LYS A O 1 ATOM 4684 C CB . LYS A 1 712 ? 13.397 60.330 24.728 1.00 54.44 ? 794 LYS A CB 1 ATOM 4685 N N . GLN A 1 713 ? 14.828 58.880 27.342 1.00 51.38 ? 795 GLN A N 1 ATOM 4686 C CA . GLN A 1 713 ? 14.984 58.912 28.790 1.00 51.71 ? 795 GLN A CA 1 ATOM 4687 C C . GLN A 1 713 ? 16.457 58.927 29.175 1.00 55.48 ? 795 GLN A C 1 ATOM 4688 O O . GLN A 1 713 ? 16.820 59.413 30.245 1.00 56.24 ? 795 GLN A O 1 ATOM 4689 C CB . GLN A 1 713 ? 14.282 57.718 29.440 1.00 54.26 ? 795 GLN A CB 1 ATOM 4690 C CG . GLN A 1 713 ? 12.784 57.658 29.200 1.00 56.10 ? 795 GLN A CG 1 ATOM 4691 C CD . GLN A 1 713 ? 12.142 56.435 29.832 1.00 55.79 ? 795 GLN A CD 1 ATOM 4692 O OE1 . GLN A 1 713 ? 12.778 55.714 30.601 1.00 51.23 ? 795 GLN A OE1 1 ATOM 4693 N NE2 . GLN A 1 713 ? 10.874 56.200 29.514 1.00 51.74 ? 795 GLN A NE2 1 ATOM 4694 N N . ASN A 1 714 ? 17.302 58.384 28.304 1.00 58.91 ? 796 ASN A N 1 ATOM 4695 C CA . ASN A 1 714 ? 18.727 58.309 28.599 1.00 60.47 ? 796 ASN A CA 1 ATOM 4696 C C . ASN A 1 714 ? 19.546 59.345 27.836 1.00 60.54 ? 796 ASN A C 1 ATOM 4697 O O . ASN A 1 714 ? 20.776 59.268 27.795 1.00 61.92 ? 796 ASN A O 1 ATOM 4698 C CB . ASN A 1 714 ? 19.261 56.904 28.312 1.00 48.88 ? 796 ASN A CB 1 ATOM 4699 C CG . ASN A 1 714 ? 18.588 55.840 29.161 1.00 44.19 ? 796 ASN A CG 1 ATOM 4700 O OD1 . ASN A 1 714 ? 19.073 55.489 30.238 1.00 35.90 ? 796 ASN A OD1 1 ATOM 4701 N ND2 . ASN A 1 714 ? 17.469 55.317 28.675 1.00 41.33 ? 796 ASN A ND2 1 ATOM 4702 N N . SER A 1 715 ? 18.867 60.323 27.245 1.00 57.99 ? 797 SER A N 1 ATOM 4703 C CA . SER A 1 715 ? 19.569 61.366 26.513 1.00 60.67 ? 797 SER A CA 1 ATOM 4704 C C . SER A 1 715 ? 20.031 62.447 27.478 1.00 65.38 ? 797 SER A C 1 ATOM 4705 O O . SER A 1 715 ? 19.250 63.309 27.878 1.00 67.35 ? 797 SER A O 1 ATOM 4706 C CB . SER A 1 715 ? 18.679 61.964 25.421 1.00 61.38 ? 797 SER A CB 1 ATOM 4707 O OG . SER A 1 715 ? 17.462 62.448 25.963 1.00 73.61 ? 797 SER A OG 1 ATOM 4708 N N . ARG A 1 716 ? 21.304 62.399 27.848 1.00 62.08 ? 798 ARG A N 1 ATOM 4709 C CA . ARG A 1 716 ? 21.889 63.389 28.747 1.00 58.67 ? 798 ARG A CA 1 ATOM 4710 C C . ARG A 1 716 ? 22.042 64.756 28.099 1.00 58.36 ? 798 ARG A C 1 ATOM 4711 O O . ARG A 1 716 ? 21.953 64.892 26.878 1.00 66.87 ? 798 ARG A O 1 ATOM 4712 C CB . ARG A 1 716 ? 23.257 62.916 29.234 1.00 66.41 ? 798 ARG A CB 1 ATOM 4713 C CG . ARG A 1 716 ? 23.252 61.689 30.114 1.00 79.98 ? 798 ARG A CG 1 ATOM 4714 C CD . ARG A 1 716 ? 24.103 61.937 31.349 1.00 86.93 ? 798 ARG A CD 1 ATOM 4715 N NE . ARG A 1 716 ? 25.450 62.350 30.974 1.00 86.97 ? 798 ARG A NE 1 ATOM 4716 C CZ . ARG A 1 716 ? 26.562 61.896 31.538 1.00 88.68 ? 798 ARG A CZ 1 ATOM 4717 N NH1 . ARG A 1 716 ? 26.480 60.975 32.500 1.00 92.60 ? 798 ARG A NH1 1 ATOM 4718 N NH2 . ARG A 1 716 ? 27.746 62.326 31.140 1.00 86.14 ? 798 ARG A NH2 1 ATOM 4719 N N . VAL A 1 717 ? 22.259 65.772 28.928 1.00 55.00 ? 799 VAL A N 1 ATOM 4720 C CA . VAL A 1 717 ? 22.527 67.111 28.425 1.00 47.14 ? 799 VAL A CA 1 ATOM 4721 C C . VAL A 1 717 ? 23.926 67.487 28.903 1.00 46.14 ? 799 VAL A C 1 ATOM 4722 O O . VAL A 1 717 ? 24.228 67.436 30.097 1.00 55.28 ? 799 VAL A O 1 ATOM 4723 C CB . VAL A 1 717 ? 21.467 68.155 28.870 1.00 52.49 ? 799 VAL A CB 1 ATOM 4724 C CG1 . VAL A 1 717 ? 21.156 68.032 30.359 1.00 60.75 ? 799 VAL A CG1 1 ATOM 4725 C CG2 . VAL A 1 717 ? 21.915 69.569 28.518 1.00 36.86 ? 799 VAL A CG2 1 ATOM 4726 N N . ILE A 1 718 ? 24.781 67.854 27.959 1.00 35.17 ? 800 ILE A N 1 ATOM 4727 C CA . ILE A 1 718 ? 26.153 68.225 28.267 1.00 37.01 ? 800 ILE A CA 1 ATOM 4728 C C . ILE A 1 718 ? 26.592 69.397 27.402 1.00 43.66 ? 800 ILE A C 1 ATOM 4729 O O . ILE A 1 718 ? 26.269 69.448 26.212 1.00 43.49 ? 800 ILE A O 1 ATOM 4730 C CB . ILE A 1 718 ? 27.112 67.021 28.084 1.00 56.68 ? 800 ILE A CB 1 ATOM 4731 C CG1 . ILE A 1 718 ? 28.571 67.456 28.249 1.00 65.80 ? 800 ILE A CG1 1 ATOM 4732 C CG2 . ILE A 1 718 ? 26.854 66.319 26.758 1.00 52.32 ? 800 ILE A CG2 1 ATOM 4733 C CD1 . ILE A 1 718 ? 29.570 66.353 28.041 1.00 66.47 ? 800 ILE A CD1 1 ATOM 4734 N N . ARG A 1 719 ? 27.309 70.338 28.012 1.00 51.75 ? 801 ARG A N 1 ATOM 4735 C CA . ARG A 1 719 ? 27.811 71.521 27.323 1.00 57.43 ? 801 ARG A CA 1 ATOM 4736 C C . ARG A 1 719 ? 26.671 72.348 26.737 1.00 58.47 ? 801 ARG A C 1 ATOM 4737 O O . ARG A 1 719 ? 26.785 72.883 25.632 1.00 51.89 ? 801 ARG A O 1 ATOM 4738 C CB . ARG A 1 719 ? 28.796 71.137 26.222 1.00 65.13 ? 801 ARG A CB 1 ATOM 4739 C CG . ARG A 1 719 ? 30.206 70.809 26.649 1.00 73.34 ? 801 ARG A CG 1 ATOM 4740 C CD . ARG A 1 719 ? 31.043 70.749 25.396 1.00 81.86 ? 801 ARG A CD 1 ATOM 4741 N NE . ARG A 1 719 ? 31.306 69.377 24.972 1.00 82.16 ? 801 ARG A NE 1 ATOM 4742 C CZ . ARG A 1 719 ? 32.503 68.896 24.660 1.00 81.82 ? 801 ARG A CZ 1 ATOM 4743 N NH1 . ARG A 1 719 ? 33.580 69.663 24.731 1.00 84.97 ? 801 ARG A NH1 1 ATOM 4744 N NH2 . ARG A 1 719 ? 32.618 67.634 24.280 1.00 79.40 ? 801 ARG A NH2 1 ATOM 4745 N N . SER A 1 720 ? 25.564 72.394 27.472 1.00 64.05 ? 802 SER A N 1 ATOM 4746 C CA . SER A 1 720 ? 24.381 73.181 27.125 1.00 70.34 ? 802 SER A CA 1 ATOM 4747 C C . SER A 1 720 ? 23.626 72.625 25.916 1.00 64.30 ? 802 SER A C 1 ATOM 4748 O O . SER A 1 720 ? 22.779 73.307 25.339 1.00 61.77 ? 802 SER A O 1 ATOM 4749 C CB . SER A 1 720 ? 24.753 74.651 26.888 1.00 71.25 ? 802 SER A CB 1 ATOM 4750 O OG . SER A 1 720 ? 25.570 75.145 27.934 1.00 66.32 ? 802 SER A OG 1 ATOM 4751 N N . GLN A 1 721 ? 23.934 71.389 25.535 1.00 55.83 ? 803 GLN A N 1 ATOM 4752 C CA . GLN A 1 721 ? 23.251 70.750 24.412 1.00 56.66 ? 803 GLN A CA 1 ATOM 4753 C C . GLN A 1 721 ? 22.813 69.325 24.739 1.00 62.02 ? 803 GLN A C 1 ATOM 4754 O O . GLN A 1 721 ? 23.463 68.632 25.523 1.00 73.26 ? 803 GLN A O 1 ATOM 4755 C CB . GLN A 1 721 ? 24.143 70.745 23.169 1.00 57.36 ? 803 GLN A CB 1 ATOM 4756 C CG . GLN A 1 721 ? 24.404 72.127 22.594 1.00 59.07 ? 803 GLN A CG 1 ATOM 4757 C CD . GLN A 1 721 ? 23.163 72.751 21.983 1.00 60.50 ? 803 GLN A CD 1 ATOM 4758 O OE1 . GLN A 1 721 ? 22.190 72.061 21.674 1.00 57.04 ? 803 GLN A OE1 1 ATOM 4759 N NE2 . GLN A 1 721 ? 23.195 74.064 21.799 1.00 60.78 ? 803 GLN A NE2 1 ATOM 4760 N N . GLU A 1 722 ? 21.710 68.890 24.136 1.00 52.95 ? 804 GLU A N 1 ATOM 4761 C CA . GLU A 1 722 ? 21.200 67.545 24.375 1.00 54.95 ? 804 GLU A CA 1 ATOM 4762 C C . GLU A 1 722 ? 21.938 66.544 23.492 1.00 62.70 ? 804 GLU A C 1 ATOM 4763 O O . GLU A 1 722 ? 22.017 66.714 22.275 1.00 63.91 ? 804 GLU A O 1 ATOM 4764 C CB . GLU A 1 722 ? 19.692 67.479 24.121 1.00 24.68 ? 804 GLU A CB 1 ATOM 4765 N N . ILE A 1 723 ? 22.477 65.500 24.112 1.00 64.98 ? 805 ILE A N 1 ATOM 4766 C CA . ILE A 1 723 ? 23.247 64.486 23.397 1.00 60.54 ? 805 ILE A CA 1 ATOM 4767 C C . ILE A 1 723 ? 22.867 63.058 23.784 1.00 61.53 ? 805 ILE A C 1 ATOM 4768 O O . ILE A 1 723 ? 22.776 62.734 24.967 1.00 62.80 ? 805 ILE A O 1 ATOM 4769 C CB . ILE A 1 723 ? 24.766 64.678 23.616 1.00 65.47 ? 805 ILE A CB 1 ATOM 4770 C CG1 . ILE A 1 723 ? 25.292 65.807 22.730 1.00 78.96 ? 805 ILE A CG1 1 ATOM 4771 C CG2 . ILE A 1 723 ? 25.531 63.395 23.315 1.00 66.36 ? 805 ILE A CG2 1 ATOM 4772 C CD1 . ILE A 1 723 ? 26.804 65.852 22.641 1.00 86.39 ? 805 ILE A CD1 1 ATOM 4773 N N . LEU A 1 724 ? 22.639 62.210 22.785 1.00 58.37 ? 806 LEU A N 1 ATOM 4774 C CA . LEU A 1 724 ? 22.429 60.794 23.047 1.00 41.32 ? 806 LEU A CA 1 ATOM 4775 C C . LEU A 1 724 ? 23.757 60.079 22.841 1.00 40.14 ? 806 LEU A C 1 ATOM 4776 O O . LEU A 1 724 ? 24.213 59.907 21.712 1.00 46.01 ? 806 LEU A O 1 ATOM 4777 C CB . LEU A 1 724 ? 21.361 60.218 22.119 1.00 28.95 ? 806 LEU A CB 1 ATOM 4778 C CG . LEU A 1 724 ? 21.001 58.753 22.372 1.00 30.14 ? 806 LEU A CG 1 ATOM 4779 C CD1 . LEU A 1 724 ? 20.448 58.567 23.776 1.00 28.67 ? 806 LEU A CD1 1 ATOM 4780 C CD2 . LEU A 1 724 ? 20.019 58.246 21.327 1.00 39.19 ? 806 LEU A CD2 1 ATOM 4781 N N . ILE A 1 725 ? 24.374 59.670 23.943 1.00 39.04 ? 807 ILE A N 1 ATOM 4782 C CA . ILE A 1 725 ? 25.687 59.038 23.897 1.00 47.84 ? 807 ILE A CA 1 ATOM 4783 C C . ILE A 1 725 ? 25.612 57.508 23.901 1.00 51.05 ? 807 ILE A C 1 ATOM 4784 O O . ILE A 1 725 ? 24.892 56.920 24.707 1.00 58.82 ? 807 ILE A O 1 ATOM 4785 C CB . ILE A 1 725 ? 26.592 59.555 25.041 1.00 56.81 ? 807 ILE A CB 1 ATOM 4786 C CG1 . ILE A 1 725 ? 27.882 58.742 25.135 1.00 62.24 ? 807 ILE A CG1 1 ATOM 4787 C CG2 . ILE A 1 725 ? 25.846 59.535 26.367 1.00 62.46 ? 807 ILE A CG2 1 ATOM 4788 C CD1 . ILE A 1 725 ? 28.930 59.392 25.990 1.00 67.09 ? 807 ILE A CD1 1 ATOM 4789 N N . PRO A 1 726 ? 26.359 56.863 22.987 1.00 44.44 ? 808 PRO A N 1 ATOM 4790 C CA . PRO A 1 726 ? 26.350 55.406 22.807 1.00 43.13 ? 808 PRO A CA 1 ATOM 4791 C C . PRO A 1 726 ? 26.891 54.637 24.010 1.00 41.59 ? 808 PRO A C 1 ATOM 4792 O O . PRO A 1 726 ? 27.873 55.056 24.623 1.00 42.57 ? 808 PRO A O 1 ATOM 4793 C CB . PRO A 1 726 ? 27.277 55.198 21.604 1.00 47.82 ? 808 PRO A CB 1 ATOM 4794 C CG . PRO A 1 726 ? 27.274 56.501 20.890 1.00 43.48 ? 808 PRO A CG 1 ATOM 4795 C CD . PRO A 1 726 ? 27.181 57.531 21.964 1.00 42.62 ? 808 PRO A CD 1 ATOM 4796 N N . THR A 1 727 ? 26.246 53.522 24.337 1.00 35.02 ? 809 THR A N 1 ATOM 4797 C CA . THR A 1 727 ? 26.704 52.646 25.408 1.00 29.15 ? 809 THR A CA 1 ATOM 4798 C C . THR A 1 727 ? 27.861 51.788 24.918 1.00 26.80 ? 809 THR A C 1 ATOM 4799 O O . THR A 1 727 ? 28.771 51.455 25.677 1.00 23.12 ? 809 THR A O 1 ATOM 4800 C CB . THR A 1 727 ? 25.583 51.714 25.891 1.00 28.06 ? 809 THR A CB 1 ATOM 4801 O OG1 . THR A 1 727 ? 25.212 50.824 24.831 1.00 32.21 ? 809 THR A OG1 1 ATOM 4802 C CG2 . THR A 1 727 ? 24.369 52.518 26.318 1.00 30.64 ? 809 THR A CG2 1 ATOM 4803 N N . HIS A 1 728 ? 27.810 51.429 23.639 1.00 31.43 ? 810 HIS A N 1 ATOM 4804 C CA . HIS A 1 728 ? 28.863 50.641 23.011 1.00 32.13 ? 810 HIS A CA 1 ATOM 4805 C C . HIS A 1 728 ? 29.127 51.108 21.584 1.00 31.64 ? 810 HIS A C 1 ATOM 4806 O O . HIS A 1 728 ? 28.405 51.947 21.044 1.00 36.75 ? 810 HIS A O 1 ATOM 4807 C CB . HIS A 1 728 ? 28.494 49.154 22.980 1.00 32.10 ? 810 HIS A CB 1 ATOM 4808 C CG . HIS A 1 728 ? 28.203 48.568 24.325 1.00 31.44 ? 810 HIS A CG 1 ATOM 4809 N ND1 . HIS A 1 728 ? 26.988 48.718 24.958 1.00 32.56 ? 810 HIS A ND1 1 ATOM 4810 C CD2 . HIS A 1 728 ? 28.966 47.813 25.152 1.00 32.98 ? 810 HIS A CD2 1 ATOM 4811 C CE1 . HIS A 1 728 ? 27.018 48.092 26.120 1.00 39.45 ? 810 HIS A CE1 1 ATOM 4812 N NE2 . HIS A 1 728 ? 28.207 47.533 26.262 1.00 39.44 ? 810 HIS A NE2 1 ATOM 4813 N N . PHE A 1 729 ? 30.173 50.554 20.981 1.00 26.64 ? 811 PHE A N 1 ATOM 4814 C CA . PHE A 1 729 ? 30.443 50.752 19.564 1.00 28.25 ? 811 PHE A CA 1 ATOM 4815 C C . PHE A 1 729 ? 30.709 49.396 18.928 1.00 30.09 ? 811 PHE A C 1 ATOM 4816 O O . PHE A 1 729 ? 31.578 48.654 19.386 1.00 26.45 ? 811 PHE A O 1 ATOM 4817 C CB . PHE A 1 729 ? 31.645 51.677 19.358 1.00 22.52 ? 811 PHE A CB 1 ATOM 4818 C CG . PHE A 1 729 ? 31.327 53.135 19.525 1.00 32.51 ? 811 PHE A CG 1 ATOM 4819 C CD1 . PHE A 1 729 ? 30.670 53.834 18.529 1.00 40.60 ? 811 PHE A CD1 1 ATOM 4820 C CD2 . PHE A 1 729 ? 31.693 53.809 20.679 1.00 31.10 ? 811 PHE A CD2 1 ATOM 4821 C CE1 . PHE A 1 729 ? 30.378 55.175 18.681 1.00 43.24 ? 811 PHE A CE1 1 ATOM 4822 C CE2 . PHE A 1 729 ? 31.404 55.151 20.835 1.00 29.98 ? 811 PHE A CE2 1 ATOM 4823 C CZ . PHE A 1 729 ? 30.745 55.834 19.835 1.00 39.05 ? 811 PHE A CZ 1 ATOM 4824 N N . PHE A 1 730 ? 29.970 49.071 17.872 1.00 26.64 ? 812 PHE A N 1 ATOM 4825 C CA . PHE A 1 730 ? 30.173 47.795 17.200 1.00 27.72 ? 812 PHE A CA 1 ATOM 4826 C C . PHE A 1 730 ? 31.078 47.938 15.983 1.00 27.65 ? 812 PHE A C 1 ATOM 4827 O O . PHE A 1 730 ? 31.136 48.994 15.354 1.00 11.02 ? 812 PHE A O 1 ATOM 4828 C CB . PHE A 1 730 ? 28.841 47.135 16.808 1.00 23.70 ? 812 PHE A CB 1 ATOM 4829 C CG . PHE A 1 730 ? 28.182 47.732 15.591 1.00 27.21 ? 812 PHE A CG 1 ATOM 4830 C CD1 . PHE A 1 730 ? 28.501 47.281 14.317 1.00 30.08 ? 812 PHE A CD1 1 ATOM 4831 C CD2 . PHE A 1 730 ? 27.222 48.721 15.721 1.00 23.25 ? 812 PHE A CD2 1 ATOM 4832 C CE1 . PHE A 1 730 ? 27.894 47.819 13.200 1.00 22.68 ? 812 PHE A CE1 1 ATOM 4833 C CE2 . PHE A 1 730 ? 26.606 49.259 14.604 1.00 26.58 ? 812 PHE A CE2 1 ATOM 4834 C CZ . PHE A 1 730 ? 26.946 48.808 13.342 1.00 23.04 ? 812 PHE A CZ 1 ATOM 4835 N N . ILE A 1 731 ? 31.792 46.864 15.669 1.00 30.03 ? 813 ILE A N 1 ATOM 4836 C CA . ILE A 1 731 ? 32.618 46.809 14.472 1.00 30.59 ? 813 ILE A CA 1 ATOM 4837 C C . ILE A 1 731 ? 32.694 45.375 13.953 1.00 25.24 ? 813 ILE A C 1 ATOM 4838 O O . ILE A 1 731 ? 33.086 44.456 14.675 1.00 20.09 ? 813 ILE A O 1 ATOM 4839 C CB . ILE A 1 731 ? 34.032 47.395 14.720 1.00 16.09 ? 813 ILE A CB 1 ATOM 4840 C CG1 . ILE A 1 731 ? 34.929 47.173 13.501 1.00 21.82 ? 813 ILE A CG1 1 ATOM 4841 C CG2 . ILE A 1 731 ? 34.660 46.798 15.973 1.00 11.01 ? 813 ILE A CG2 1 ATOM 4842 C CD1 . ILE A 1 731 ? 36.318 47.742 13.656 1.00 33.71 ? 813 ILE A CD1 1 ATOM 4843 N N . VAL A 1 732 ? 32.301 45.187 12.699 1.00 28.80 ? 814 VAL A N 1 ATOM 4844 C CA . VAL A 1 732 ? 32.299 43.863 12.093 1.00 25.32 ? 814 VAL A CA 1 ATOM 4845 C C . VAL A 1 732 ? 33.346 43.763 10.989 1.00 23.07 ? 814 VAL A C 1 ATOM 4846 O O . VAL A 1 732 ? 33.303 44.505 10.008 1.00 26.75 ? 814 VAL A O 1 ATOM 4847 C CB . VAL A 1 732 ? 30.916 43.510 11.516 1.00 24.36 ? 814 VAL A CB 1 ATOM 4848 C CG1 . VAL A 1 732 ? 30.907 42.082 10.990 1.00 16.88 ? 814 VAL A CG1 1 ATOM 4849 C CG2 . VAL A 1 732 ? 29.838 43.704 12.574 1.00 8.48 ? 814 VAL A CG2 1 ATOM 4850 N N . LEU A 1 733 ? 34.286 42.839 11.160 1.00 27.86 ? 815 LEU A N 1 ATOM 4851 C CA . LEU A 1 733 ? 35.348 42.627 10.183 1.00 21.92 ? 815 LEU A CA 1 ATOM 4852 C C . LEU A 1 733 ? 35.052 41.409 9.313 1.00 22.91 ? 815 LEU A C 1 ATOM 4853 O O . LEU A 1 733 ? 34.881 40.300 9.819 1.00 23.81 ? 815 LEU A O 1 ATOM 4854 C CB . LEU A 1 733 ? 36.690 42.451 10.895 1.00 12.91 ? 815 LEU A CB 1 ATOM 4855 C CG . LEU A 1 733 ? 37.036 43.559 11.891 1.00 17.41 ? 815 LEU A CG 1 ATOM 4856 C CD1 . LEU A 1 733 ? 38.407 43.326 12.502 1.00 14.02 ? 815 LEU A CD1 1 ATOM 4857 C CD2 . LEU A 1 733 ? 36.965 44.926 11.225 1.00 22.75 ? 815 LEU A CD2 1 ATOM 4858 N N . THR A 1 734 ? 34.995 41.624 8.002 1.00 25.47 ? 816 THR A N 1 ATOM 4859 C CA . THR A 1 734 ? 34.712 40.547 7.058 1.00 21.74 ? 816 THR A CA 1 ATOM 4860 C C . THR A 1 734 ? 35.839 40.360 6.046 1.00 21.35 ? 816 THR A C 1 ATOM 4861 O O . THR A 1 734 ? 36.325 41.326 5.457 1.00 15.65 ? 816 THR A O 1 ATOM 4862 C CB . THR A 1 734 ? 33.404 40.804 6.288 1.00 19.81 ? 816 THR A CB 1 ATOM 4863 O OG1 . THR A 1 734 ? 32.365 41.155 7.208 1.00 27.51 ? 816 THR A OG1 1 ATOM 4864 C CG2 . THR A 1 734 ? 32.990 39.564 5.509 1.00 17.40 ? 816 THR A CG2 1 ATOM 4865 N N . SER A 1 735 ? 36.251 39.111 5.851 1.00 24.00 ? 817 SER A N 1 ATOM 4866 C CA . SER A 1 735 ? 37.285 38.793 4.871 1.00 20.54 ? 817 SER A CA 1 ATOM 4867 C C . SER A 1 735 ? 36.962 37.513 4.110 1.00 19.63 ? 817 SER A C 1 ATOM 4868 O O . SER A 1 735 ? 35.920 36.898 4.328 1.00 23.32 ? 817 SER A O 1 ATOM 4869 C CB . SER A 1 735 ? 38.650 38.657 5.547 1.00 25.09 ? 817 SER A CB 1 ATOM 4870 O OG . SER A 1 735 ? 39.085 39.895 6.075 1.00 42.32 ? 817 SER A OG 1 ATOM 4871 N N . CYS A 1 736 ? 37.862 37.120 3.214 1.00 26.34 ? 818 CYS A N 1 ATOM 4872 C CA . CYS A 1 736 ? 37.692 35.900 2.433 1.00 29.30 ? 818 CYS A CA 1 ATOM 4873 C C . CYS A 1 736 ? 38.346 34.714 3.128 1.00 24.67 ? 818 CYS A C 1 ATOM 4874 O O . CYS A 1 736 ? 39.376 34.860 3.785 1.00 33.61 ? 818 CYS A O 1 ATOM 4875 C CB . CYS A 1 736 ? 38.285 36.073 1.034 1.00 30.19 ? 818 CYS A CB 1 ATOM 4876 S SG . CYS A 1 736 ? 37.489 37.357 0.050 1.00 46.99 ? 818 CYS A SG 1 ATOM 4877 N N . LYS A 1 737 ? 37.746 33.539 2.976 1.00 16.08 ? 819 LYS A N 1 ATOM 4878 C CA . LYS A 1 737 ? 38.303 32.321 3.547 1.00 22.24 ? 819 LYS A CA 1 ATOM 4879 C C . LYS A 1 737 ? 39.528 31.894 2.739 1.00 29.80 ? 819 LYS A C 1 ATOM 4880 O O . LYS A 1 737 ? 40.392 31.167 3.230 1.00 35.40 ? 819 LYS A O 1 ATOM 4881 C CB . LYS A 1 737 ? 37.245 31.217 3.565 1.00 7.00 ? 819 LYS A CB 1 ATOM 4882 C CG . LYS A 1 737 ? 37.242 30.390 4.837 1.00 37.49 ? 819 LYS A CG 1 ATOM 4883 C CD . LYS A 1 737 ? 36.070 29.423 4.869 1.00 44.20 ? 819 LYS A CD 1 ATOM 4884 C CE . LYS A 1 737 ? 36.043 28.629 6.168 1.00 45.67 ? 819 LYS A CE 1 ATOM 4885 N NZ . LYS A 1 737 ? 35.905 29.519 7.354 1.00 39.08 ? 819 LYS A NZ 1 ATOM 4886 N N . GLN A 1 738 ? 39.585 32.354 1.493 1.00 28.62 ? 820 GLN A N 1 ATOM 4887 C CA . GLN A 1 738 ? 40.726 32.110 0.619 1.00 29.66 ? 820 GLN A CA 1 ATOM 4888 C C . GLN A 1 738 ? 41.570 33.378 0.512 1.00 36.15 ? 820 GLN A C 1 ATOM 4889 O O . GLN A 1 738 ? 41.102 34.401 0.015 1.00 42.09 ? 820 GLN A O 1 ATOM 4890 C CB . GLN A 1 738 ? 40.246 31.685 -0.769 1.00 31.36 ? 820 GLN A CB 1 ATOM 4891 C CG . GLN A 1 738 ? 41.275 30.913 -1.576 1.00 46.69 ? 820 GLN A CG 1 ATOM 4892 C CD . GLN A 1 738 ? 41.438 29.485 -1.092 1.00 51.47 ? 820 GLN A CD 1 ATOM 4893 O OE1 . GLN A 1 738 ? 42.496 28.877 -1.257 1.00 62.82 ? 820 GLN A OE1 1 ATOM 4894 N NE2 . GLN A 1 738 ? 40.385 28.938 -0.494 1.00 32.89 ? 820 GLN A NE2 1 ATOM 4895 N N . LEU A 1 739 ? 42.813 33.308 0.981 1.00 36.29 ? 821 LEU A N 1 ATOM 4896 C CA . LEU A 1 739 ? 43.680 34.485 1.058 1.00 37.04 ? 821 LEU A CA 1 ATOM 4897 C C . LEU A 1 739 ? 44.061 35.065 -0.304 1.00 36.16 ? 821 LEU A C 1 ATOM 4898 O O . LEU A 1 739 ? 44.611 36.163 -0.385 1.00 35.55 ? 821 LEU A O 1 ATOM 4899 C CB . LEU A 1 739 ? 44.944 34.174 1.864 1.00 36.39 ? 821 LEU A CB 1 ATOM 4900 C CG . LEU A 1 739 ? 44.788 33.913 3.364 1.00 34.84 ? 821 LEU A CG 1 ATOM 4901 C CD1 . LEU A 1 739 ? 46.137 33.593 3.987 1.00 38.08 ? 821 LEU A CD1 1 ATOM 4902 C CD2 . LEU A 1 739 ? 44.148 35.106 4.055 1.00 23.55 ? 821 LEU A CD2 1 ATOM 4903 N N . SER A 1 740 ? 43.770 34.328 -1.370 1.00 9.02 ? 822 SER A N 1 ATOM 4904 C CA . SER A 1 740 ? 44.067 34.791 -2.719 1.00 28.94 ? 822 SER A CA 1 ATOM 4905 C C . SER A 1 740 ? 43.051 35.833 -3.177 1.00 33.64 ? 822 SER A C 1 ATOM 4906 O O . SER A 1 740 ? 43.261 36.523 -4.173 1.00 42.71 ? 822 SER A O 1 ATOM 4907 C CB . SER A 1 740 ? 44.084 33.611 -3.693 1.00 27.95 ? 822 SER A CB 1 ATOM 4908 O OG . SER A 1 740 ? 42.810 32.996 -3.774 1.00 29.12 ? 822 SER A OG 1 ATOM 4909 N N . GLU A 1 741 ? 41.950 35.940 -2.440 1.00 27.21 ? 823 GLU A N 1 ATOM 4910 C CA . GLU A 1 741 ? 40.853 36.823 -2.818 1.00 30.46 ? 823 GLU A CA 1 ATOM 4911 C C . GLU A 1 741 ? 40.764 38.073 -1.943 1.00 40.81 ? 823 GLU A C 1 ATOM 4912 O O . GLU A 1 741 ? 41.045 38.031 -0.745 1.00 43.94 ? 823 GLU A O 1 ATOM 4913 C CB . GLU A 1 741 ? 39.527 36.064 -2.758 1.00 28.15 ? 823 GLU A CB 1 ATOM 4914 C CG . GLU A 1 741 ? 39.463 34.854 -3.675 1.00 34.72 ? 823 GLU A CG 1 ATOM 4915 C CD . GLU A 1 741 ? 38.219 34.016 -3.451 1.00 42.74 ? 823 GLU A CD 1 ATOM 4916 O OE1 . GLU A 1 741 ? 37.635 34.093 -2.349 1.00 44.85 ? 823 GLU A OE1 1 ATOM 4917 O OE2 . GLU A 1 741 ? 37.829 33.273 -4.376 1.00 42.89 ? 823 GLU A OE2 1 ATOM 4918 N N . THR A 1 742 ? 40.369 39.183 -2.558 1.00 35.36 ? 824 THR A N 1 ATOM 4919 C CA . THR A 1 742 ? 40.116 40.426 -1.842 1.00 32.24 ? 824 THR A CA 1 ATOM 4920 C C . THR A 1 742 ? 38.663 40.441 -1.360 1.00 29.17 ? 824 THR A C 1 ATOM 4921 O O . THR A 1 742 ? 37.825 39.733 -1.916 1.00 37.89 ? 824 THR A O 1 ATOM 4922 C CB . THR A 1 742 ? 40.374 41.647 -2.751 1.00 35.10 ? 824 THR A CB 1 ATOM 4923 O OG1 . THR A 1 742 ? 39.431 41.655 -3.830 1.00 50.29 ? 824 THR A OG1 1 ATOM 4924 C CG2 . THR A 1 742 ? 41.782 41.598 -3.318 1.00 20.81 ? 824 THR A CG2 1 ATOM 4925 N N . PRO A 1 743 ? 38.352 41.251 -0.329 1.00 29.05 ? 825 PRO A N 1 ATOM 4926 C CA . PRO A 1 743 ? 36.988 41.353 0.211 1.00 28.46 ? 825 PRO A CA 1 ATOM 4927 C C . PRO A 1 743 ? 35.893 41.646 -0.818 1.00 24.78 ? 825 PRO A C 1 ATOM 4928 O O . PRO A 1 743 ? 34.713 41.539 -0.489 1.00 27.59 ? 825 PRO A O 1 ATOM 4929 C CB . PRO A 1 743 ? 37.097 42.522 1.190 1.00 29.73 ? 825 PRO A CB 1 ATOM 4930 C CG . PRO A 1 743 ? 38.487 42.455 1.670 1.00 36.70 ? 825 PRO A CG 1 ATOM 4931 C CD . PRO A 1 743 ? 39.315 42.002 0.497 1.00 39.70 ? 825 PRO A CD 1 ATOM 4932 N N . LEU A 1 744 ? 36.278 42.010 -2.035 1.00 17.20 ? 826 LEU A N 1 ATOM 4933 C CA . LEU A 1 744 ? 35.314 42.312 -3.084 1.00 14.82 ? 826 LEU A CA 1 ATOM 4934 C C . LEU A 1 744 ? 35.042 41.090 -3.955 1.00 16.19 ? 826 LEU A C 1 ATOM 4935 O O . LEU A 1 744 ? 34.218 41.139 -4.868 1.00 25.24 ? 826 LEU A O 1 ATOM 4936 C CB . LEU A 1 744 ? 35.812 43.475 -3.944 1.00 18.15 ? 826 LEU A CB 1 ATOM 4937 C CG . LEU A 1 744 ? 36.161 44.753 -3.180 1.00 24.76 ? 826 LEU A CG 1 ATOM 4938 C CD1 . LEU A 1 744 ? 36.678 45.828 -4.123 1.00 27.16 ? 826 LEU A CD1 1 ATOM 4939 C CD2 . LEU A 1 744 ? 34.956 45.253 -2.397 1.00 32.12 ? 826 LEU A CD2 1 ATOM 4940 N N . GLU A 1 745 ? 35.738 39.993 -3.671 1.00 19.58 ? 827 GLU A N 1 ATOM 4941 C CA . GLU A 1 745 ? 35.622 38.788 -4.487 1.00 33.44 ? 827 GLU A CA 1 ATOM 4942 C C . GLU A 1 745 ? 35.670 37.499 -3.664 1.00 29.66 ? 827 GLU A C 1 ATOM 4943 O O . GLU A 1 745 ? 36.207 36.484 -4.109 1.00 24.54 ? 827 GLU A O 1 ATOM 4944 C CB . GLU A 1 745 ? 36.719 38.776 -5.554 1.00 33.96 ? 827 GLU A CB 1 ATOM 4945 C CG . GLU A 1 745 ? 38.125 38.890 -4.983 1.00 33.22 ? 827 GLU A CG 1 ATOM 4946 C CD . GLU A 1 745 ? 39.177 39.123 -6.046 1.00 47.40 ? 827 GLU A CD 1 ATOM 4947 O OE1 . GLU A 1 745 ? 40.380 39.084 -5.709 1.00 56.72 ? 827 GLU A OE1 1 ATOM 4948 O OE2 . GLU A 1 745 ? 38.805 39.346 -7.217 1.00 47.79 ? 827 GLU A OE2 1 ATOM 4949 N N . CYS A 1 746 ? 35.104 37.546 -2.463 1.00 25.44 ? 828 CYS A N 1 ATOM 4950 C CA . CYS A 1 746 ? 35.085 36.389 -1.576 1.00 24.17 ? 828 CYS A CA 1 ATOM 4951 C C . CYS A 1 746 ? 34.180 35.286 -2.115 1.00 25.93 ? 828 CYS A C 1 ATOM 4952 O O . CYS A 1 746 ? 33.071 35.553 -2.576 1.00 7.39 ? 828 CYS A O 1 ATOM 4953 C CB . CYS A 1 746 ? 34.611 36.794 -0.178 1.00 21.31 ? 828 CYS A CB 1 ATOM 4954 S SG . CYS A 1 746 ? 35.661 38.004 0.652 1.00 64.48 ? 828 CYS A SG 1 ATOM 4955 N N . SER A 1 747 ? 34.654 34.046 -2.056 1.00 16.59 ? 829 SER A N 1 ATOM 4956 C CA . SER A 1 747 ? 33.817 32.896 -2.375 1.00 17.06 ? 829 SER A CA 1 ATOM 4957 C C . SER A 1 747 ? 33.072 32.478 -1.117 1.00 23.01 ? 829 SER A C 1 ATOM 4958 O O . SER A 1 747 ? 31.898 32.106 -1.163 1.00 24.09 ? 829 SER A O 1 ATOM 4959 C CB . SER A 1 747 ? 34.667 31.739 -2.894 1.00 27.08 ? 829 SER A CB 1 ATOM 4960 O OG . SER A 1 747 ? 35.347 32.106 -4.080 1.00 46.51 ? 829 SER A OG 1 ATOM 4961 N N . ALA A 1 748 ? 33.777 32.542 0.006 1.00 22.01 ? 830 ALA A N 1 ATOM 4962 C CA . ALA A 1 748 ? 33.185 32.315 1.315 1.00 27.47 ? 830 ALA A CA 1 ATOM 4963 C C . ALA A 1 748 ? 33.674 33.404 2.260 1.00 29.77 ? 830 ALA A C 1 ATOM 4964 O O . ALA A 1 748 ? 34.738 33.987 2.046 1.00 29.08 ? 830 ALA A O 1 ATOM 4965 C CB . ALA A 1 748 ? 33.548 30.938 1.843 1.00 6.02 ? 830 ALA A CB 1 ATOM 4966 N N . LEU A 1 749 ? 32.903 33.680 3.304 1.00 32.21 ? 831 LEU A N 1 ATOM 4967 C CA . LEU A 1 749 ? 33.217 34.790 4.197 1.00 27.54 ? 831 LEU A CA 1 ATOM 4968 C C . LEU A 1 749 ? 33.994 34.386 5.447 1.00 29.75 ? 831 LEU A C 1 ATOM 4969 O O . LEU A 1 749 ? 34.000 33.224 5.852 1.00 32.79 ? 831 LEU A O 1 ATOM 4970 C CB . LEU A 1 749 ? 31.940 35.534 4.597 1.00 28.79 ? 831 LEU A CB 1 ATOM 4971 C CG . LEU A 1 749 ? 31.193 36.231 3.457 1.00 27.17 ? 831 LEU A CG 1 ATOM 4972 C CD1 . LEU A 1 749 ? 30.013 37.023 3.997 1.00 22.19 ? 831 LEU A CD1 1 ATOM 4973 C CD2 . LEU A 1 749 ? 32.139 37.132 2.677 1.00 22.16 ? 831 LEU A CD2 1 ATOM 4974 N N . GLU A 1 750 ? 34.645 35.374 6.050 1.00 32.10 ? 832 GLU A N 1 ATOM 4975 C CA . GLU A 1 750 ? 35.379 35.195 7.294 1.00 28.36 ? 832 GLU A CA 1 ATOM 4976 C C . GLU A 1 750 ? 35.043 36.372 8.195 1.00 32.17 ? 832 GLU A C 1 ATOM 4977 O O . GLU A 1 750 ? 35.698 37.413 8.148 1.00 38.95 ? 832 GLU A O 1 ATOM 4978 C CB . GLU A 1 750 ? 36.883 35.143 7.025 1.00 34.55 ? 832 GLU A CB 1 ATOM 4979 C CG . GLU A 1 750 ? 37.724 34.772 8.234 1.00 51.34 ? 832 GLU A CG 1 ATOM 4980 C CD . GLU A 1 750 ? 37.688 33.291 8.539 1.00 71.72 ? 832 GLU A CD 1 ATOM 4981 O OE1 . GLU A 1 750 ? 37.988 32.912 9.691 1.00 84.11 ? 832 GLU A OE1 1 ATOM 4982 O OE2 . GLU A 1 750 ? 37.363 32.503 7.626 1.00 76.33 ? 832 GLU A OE2 1 ATOM 4983 N N . SER A 1 751 ? 34.015 36.197 9.017 1.00 29.65 ? 833 SER A N 1 ATOM 4984 C CA . SER A 1 751 ? 33.513 37.283 9.848 1.00 24.30 ? 833 SER A CA 1 ATOM 4985 C C . SER A 1 751 ? 34.048 37.256 11.274 1.00 22.10 ? 833 SER A C 1 ATOM 4986 O O . SER A 1 751 ? 34.353 36.198 11.822 1.00 26.18 ? 833 SER A O 1 ATOM 4987 C CB . SER A 1 751 ? 31.983 37.284 9.877 1.00 27.23 ? 833 SER A CB 1 ATOM 4988 O OG . SER A 1 751 ? 31.451 37.666 8.621 1.00 37.39 ? 833 SER A OG 1 ATOM 4989 N N . SER A 1 752 ? 34.153 38.440 11.866 1.00 23.44 ? 834 SER A N 1 ATOM 4990 C CA . SER A 1 752 ? 34.512 38.590 13.269 1.00 28.76 ? 834 SER A CA 1 ATOM 4991 C C . SER A 1 752 ? 33.965 39.922 13.766 1.00 33.97 ? 834 SER A C 1 ATOM 4992 O O . SER A 1 752 ? 34.369 40.984 13.290 1.00 37.32 ? 834 SER A O 1 ATOM 4993 C CB . SER A 1 752 ? 36.029 38.515 13.464 1.00 29.39 ? 834 SER A CB 1 ATOM 4994 O OG . SER A 1 752 ? 36.690 39.551 12.758 1.00 40.81 ? 834 SER A OG 1 ATOM 4995 N N . ALA A 1 753 ? 33.045 39.866 14.723 1.00 27.49 ? 835 ALA A N 1 ATOM 4996 C CA . ALA A 1 753 ? 32.412 41.076 15.227 1.00 25.56 ? 835 ALA A CA 1 ATOM 4997 C C . ALA A 1 753 ? 32.885 41.420 16.632 1.00 36.65 ? 835 ALA A C 1 ATOM 4998 O O . ALA A 1 753 ? 33.334 40.552 17.381 1.00 40.47 ? 835 ALA A O 1 ATOM 4999 C CB . ALA A 1 753 ? 30.899 40.935 15.196 1.00 24.80 ? 835 ALA A CB 1 ATOM 5000 N N . TYR A 1 754 ? 32.779 42.696 16.982 1.00 38.61 ? 836 TYR A N 1 ATOM 5001 C CA . TYR A 1 754 ? 33.150 43.159 18.310 1.00 28.07 ? 836 TYR A CA 1 ATOM 5002 C C . TYR A 1 754 ? 32.135 44.178 18.812 1.00 24.69 ? 836 TYR A C 1 ATOM 5003 O O . TYR A 1 754 ? 31.663 45.019 18.047 1.00 19.86 ? 836 TYR A O 1 ATOM 5004 C CB . TYR A 1 754 ? 34.538 43.804 18.282 1.00 34.19 ? 836 TYR A CB 1 ATOM 5005 C CG . TYR A 1 754 ? 35.625 42.930 17.695 1.00 44.97 ? 836 TYR A CG 1 ATOM 5006 C CD1 . TYR A 1 754 ? 35.912 42.971 16.336 1.00 45.81 ? 836 TYR A CD1 1 ATOM 5007 C CD2 . TYR A 1 754 ? 36.369 42.073 18.496 1.00 45.84 ? 836 TYR A CD2 1 ATOM 5008 C CE1 . TYR A 1 754 ? 36.905 42.180 15.790 1.00 49.06 ? 836 TYR A CE1 1 ATOM 5009 C CE2 . TYR A 1 754 ? 37.366 41.277 17.959 1.00 42.98 ? 836 TYR A CE2 1 ATOM 5010 C CZ . TYR A 1 754 ? 37.629 41.335 16.605 1.00 50.53 ? 836 TYR A CZ 1 ATOM 5011 O OH . TYR A 1 754 ? 38.618 40.547 16.064 1.00 55.67 ? 836 TYR A OH 1 ATOM 5012 N N . ILE A 1 755 ? 31.801 44.101 20.095 1.00 22.14 ? 837 ILE A N 1 ATOM 5013 C CA . ILE A 1 755 ? 30.972 45.124 20.722 1.00 19.59 ? 837 ILE A CA 1 ATOM 5014 C C . ILE A 1 755 ? 31.731 45.758 21.882 1.00 25.55 ? 837 ILE A C 1 ATOM 5015 O O . ILE A 1 755 ? 31.723 45.250 23.004 1.00 32.51 ? 837 ILE A O 1 ATOM 5016 C CB . ILE A 1 755 ? 29.621 44.559 21.209 1.00 17.97 ? 837 ILE A CB 1 ATOM 5017 C CG1 . ILE A 1 755 ? 28.867 43.906 20.048 1.00 17.17 ? 837 ILE A CG1 1 ATOM 5018 C CG2 . ILE A 1 755 ? 28.775 45.662 21.819 1.00 21.43 ? 837 ILE A CG2 1 ATOM 5019 C CD1 . ILE A 1 755 ? 27.475 43.421 20.405 1.00 14.34 ? 837 ILE A CD1 1 ATOM 5020 N N . LEU A 1 756 ? 32.391 46.874 21.590 1.00 27.18 ? 838 LEU A N 1 ATOM 5021 C CA . LEU A 1 756 ? 33.274 47.537 22.542 1.00 26.10 ? 838 LEU A CA 1 ATOM 5022 C C . LEU A 1 756 ? 32.514 48.493 23.456 1.00 38.98 ? 838 LEU A C 1 ATOM 5023 O O . LEU A 1 756 ? 31.771 49.349 22.981 1.00 47.14 ? 838 LEU A O 1 ATOM 5024 C CB . LEU A 1 756 ? 34.376 48.293 21.799 1.00 30.78 ? 838 LEU A CB 1 ATOM 5025 C CG . LEU A 1 756 ? 35.233 47.426 20.874 1.00 37.27 ? 838 LEU A CG 1 ATOM 5026 C CD1 . LEU A 1 756 ? 36.216 48.275 20.087 1.00 37.38 ? 838 LEU A CD1 1 ATOM 5027 C CD2 . LEU A 1 756 ? 35.963 46.363 21.680 1.00 46.78 ? 838 LEU A CD2 1 ATOM 5028 N N . PRO A 1 757 ? 32.708 48.353 24.777 1.00 43.35 ? 839 PRO A N 1 ATOM 5029 C CA . PRO A 1 757 ? 32.058 49.217 25.770 1.00 40.25 ? 839 PRO A CA 1 ATOM 5030 C C . PRO A 1 757 ? 32.554 50.660 25.707 1.00 48.77 ? 839 PRO A C 1 ATOM 5031 O O . PRO A 1 757 ? 33.762 50.898 25.675 1.00 46.61 ? 839 PRO A O 1 ATOM 5032 C CB . PRO A 1 757 ? 32.465 48.580 27.103 1.00 38.95 ? 839 PRO A CB 1 ATOM 5033 C CG . PRO A 1 757 ? 33.733 47.856 26.805 1.00 41.46 ? 839 PRO A CG 1 ATOM 5034 C CD . PRO A 1 757 ? 33.583 47.348 25.405 1.00 45.73 ? 839 PRO A CD 1 ATOM 5035 N N . HIS A 1 758 ? 31.624 51.610 25.686 1.00 51.95 ? 840 HIS A N 1 ATOM 5036 C CA . HIS A 1 758 ? 31.981 53.023 25.647 1.00 46.18 ? 840 HIS A CA 1 ATOM 5037 C C . HIS A 1 758 ? 32.046 53.592 27.062 1.00 45.91 ? 840 HIS A C 1 ATOM 5038 O O . HIS A 1 758 ? 31.033 54.020 27.617 1.00 36.33 ? 840 HIS A O 1 ATOM 5039 C CB . HIS A 1 758 ? 30.963 53.801 24.813 1.00 41.74 ? 840 HIS A CB 1 ATOM 5040 C CG . HIS A 1 758 ? 31.427 55.162 24.403 1.00 37.67 ? 840 HIS A CG 1 ATOM 5041 N ND1 . HIS A 1 758 ? 30.555 56.194 24.130 1.00 36.40 ? 840 HIS A ND1 1 ATOM 5042 C CD2 . HIS A 1 758 ? 32.672 55.662 24.217 1.00 31.03 ? 840 HIS A CD2 1 ATOM 5043 C CE1 . HIS A 1 758 ? 31.243 57.270 23.792 1.00 34.68 ? 840 HIS A CE1 1 ATOM 5044 N NE2 . HIS A 1 758 ? 32.529 56.974 23.838 1.00 34.60 ? 840 HIS A NE2 1 ATOM 5045 N N . ARG A 1 759 ? 33.243 53.595 27.641 1.00 47.85 ? 841 ARG A N 1 ATOM 5046 C CA . ARG A 1 759 ? 33.426 54.025 29.023 1.00 44.99 ? 841 ARG A CA 1 ATOM 5047 C C . ARG A 1 759 ? 34.178 55.354 29.098 1.00 42.69 ? 841 ARG A C 1 ATOM 5048 O O . ARG A 1 759 ? 35.060 55.615 28.281 1.00 45.09 ? 841 ARG A O 1 ATOM 5049 C CB . ARG A 1 759 ? 34.175 52.956 29.815 1.00 45.74 ? 841 ARG A CB 1 ATOM 5050 C CG . ARG A 1 759 ? 33.387 51.662 29.963 1.00 51.21 ? 841 ARG A CG 1 ATOM 5051 C CD . ARG A 1 759 ? 32.182 51.814 30.884 1.00 63.05 ? 841 ARG A CD 1 ATOM 5052 N NE . ARG A 1 759 ? 32.486 52.496 32.137 1.00 81.20 ? 841 ARG A NE 1 ATOM 5053 C CZ . ARG A 1 759 ? 31.663 53.354 32.732 1.00 76.45 ? 841 ARG A CZ 1 ATOM 5054 N NH1 . ARG A 1 759 ? 30.492 53.647 32.180 1.00 76.76 ? 841 ARG A NH1 1 ATOM 5055 N NH2 . ARG A 1 759 ? 32.017 53.933 33.870 1.00 62.21 ? 841 ARG A NH2 1 ATOM 5056 N N . PRO A 1 760 ? 33.831 56.200 30.082 1.00 38.10 ? 842 PRO A N 1 ATOM 5057 C CA . PRO A 1 760 ? 34.511 57.483 30.303 1.00 34.89 ? 842 PRO A CA 1 ATOM 5058 C C . PRO A 1 760 ? 35.952 57.300 30.768 1.00 33.93 ? 842 PRO A C 1 ATOM 5059 O O . PRO A 1 760 ? 36.751 58.228 30.653 1.00 34.94 ? 842 PRO A O 1 ATOM 5060 C CB . PRO A 1 760 ? 33.687 58.125 31.424 1.00 23.64 ? 842 PRO A CB 1 ATOM 5061 C CG . PRO A 1 760 ? 32.374 57.432 31.391 1.00 49.29 ? 842 PRO A CG 1 ATOM 5062 C CD . PRO A 1 760 ? 32.680 56.031 30.982 1.00 42.93 ? 842 PRO A CD 1 ATOM 5063 N N . ASP A 1 761 ? 36.276 56.120 31.286 1.00 37.60 ? 843 ASP A N 1 ATOM 5064 C CA . ASP A 1 761 ? 37.633 55.836 31.734 1.00 52.55 ? 843 ASP A CA 1 ATOM 5065 C C . ASP A 1 761 ? 38.049 54.419 31.352 1.00 54.03 ? 843 ASP A C 1 ATOM 5066 O O . ASP A 1 761 ? 37.239 53.640 30.853 1.00 53.28 ? 843 ASP A O 1 ATOM 5067 C CB . ASP A 1 761 ? 37.764 56.044 33.247 1.00 68.06 ? 843 ASP A CB 1 ATOM 5068 C CG . ASP A 1 761 ? 36.620 55.420 34.027 1.00 78.97 ? 843 ASP A CG 1 ATOM 5069 O OD1 . ASP A 1 761 ? 36.150 54.330 33.640 1.00 72.89 ? 843 ASP A OD1 1 ATOM 5070 O OD2 . ASP A 1 761 ? 36.192 56.024 35.034 1.00 87.38 ? 843 ASP A OD2 1 ATOM 5071 N N . ASN A 1 762 ? 39.315 54.093 31.587 1.00 51.00 ? 844 ASN A N 1 ATOM 5072 C CA . ASN A 1 762 ? 39.834 52.770 31.265 1.00 50.63 ? 844 ASN A CA 1 ATOM 5073 C C . ASN A 1 762 ? 40.217 51.964 32.504 1.00 52.14 ? 844 ASN A C 1 ATOM 5074 O O . ASN A 1 762 ? 41.300 51.379 32.567 1.00 46.82 ? 844 ASN A O 1 ATOM 5075 C CB . ASN A 1 762 ? 41.023 52.883 30.310 1.00 51.55 ? 844 ASN A CB 1 ATOM 5076 C CG . ASN A 1 762 ? 40.617 53.371 28.932 1.00 52.76 ? 844 ASN A CG 1 ATOM 5077 O OD1 . ASN A 1 762 ? 39.432 53.418 28.601 1.00 52.96 ? 844 ASN A OD1 1 ATOM 5078 N ND2 . ASN A 1 762 ? 41.600 53.755 28.127 1.00 51.43 ? 844 ASN A ND2 1 ATOM 5079 N N . ILE A 1 763 ? 39.320 51.936 33.485 1.00 54.67 ? 845 ILE A N 1 ATOM 5080 C CA . ILE A 1 763 ? 39.554 51.204 34.726 1.00 57.05 ? 845 ILE A CA 1 ATOM 5081 C C . ILE A 1 763 ? 39.490 49.700 34.482 1.00 58.25 ? 845 ILE A C 1 ATOM 5082 O O . ILE A 1 763 ? 40.179 48.922 35.144 1.00 66.49 ? 845 ILE A O 1 ATOM 5083 C CB . ILE A 1 763 ? 38.525 51.587 35.807 1.00 54.31 ? 845 ILE A CB 1 ATOM 5084 C CG1 . ILE A 1 763 ? 38.366 53.106 35.873 1.00 56.18 ? 845 ILE A CG1 1 ATOM 5085 C CG2 . ILE A 1 763 ? 38.940 51.045 37.165 1.00 51.16 ? 845 ILE A CG2 1 ATOM 5086 N N . GLU A 1 764 ? 38.663 49.299 33.522 1.00 49.91 ? 846 GLU A N 1 ATOM 5087 C CA . GLU A 1 764 ? 38.493 47.891 33.183 1.00 45.72 ? 846 GLU A CA 1 ATOM 5088 C C . GLU A 1 764 ? 39.804 47.297 32.678 1.00 48.60 ? 846 GLU A C 1 ATOM 5089 O O . GLU A 1 764 ? 40.098 46.123 32.901 1.00 45.18 ? 846 GLU A O 1 ATOM 5090 C CB . GLU A 1 764 ? 37.398 47.727 32.125 1.00 37.29 ? 846 GLU A CB 1 ATOM 5091 C CG . GLU A 1 764 ? 37.165 46.293 31.677 1.00 37.78 ? 846 GLU A CG 1 ATOM 5092 C CD . GLU A 1 764 ? 36.181 46.192 30.527 1.00 42.31 ? 846 GLU A CD 1 ATOM 5093 O OE1 . GLU A 1 764 ? 35.697 47.244 30.060 1.00 44.38 ? 846 GLU A OE1 1 ATOM 5094 O OE2 . GLU A 1 764 ? 35.894 45.059 30.087 1.00 41.33 ? 846 GLU A OE2 1 ATOM 5095 N N . SER A 1 765 ? 40.594 48.128 32.006 1.00 53.16 ? 847 SER A N 1 ATOM 5096 C CA . SER A 1 765 ? 41.805 47.677 31.331 1.00 59.70 ? 847 SER A CA 1 ATOM 5097 C C . SER A 1 765 ? 43.064 47.719 32.194 1.00 60.83 ? 847 SER A C 1 ATOM 5098 O O . SER A 1 765 ? 44.044 47.040 31.882 1.00 59.32 ? 847 SER A O 1 ATOM 5099 C CB . SER A 1 765 ? 42.029 48.508 30.071 1.00 66.28 ? 847 SER A CB 1 ATOM 5100 O OG . SER A 1 765 ? 40.902 48.449 29.214 1.00 66.82 ? 847 SER A OG 1 ATOM 5101 N N . CYS A 1 766 ? 43.041 48.507 33.270 1.00 59.99 ? 848 CYS A N 1 ATOM 5102 C CA . CYS A 1 766 ? 44.234 48.722 34.094 1.00 53.38 ? 848 CYS A CA 1 ATOM 5103 C C . CYS A 1 766 ? 45.430 49.228 33.276 1.00 45.83 ? 848 CYS A C 1 ATOM 5104 O O . CYS A 1 766 ? 46.468 48.577 33.163 1.00 32.01 ? 848 CYS A O 1 ATOM 5105 C CB . CYS A 1 766 ? 44.606 47.443 34.846 1.00 47.82 ? 848 CYS A CB 1 ATOM 5106 S SG . CYS A 1 766 ? 43.319 46.927 36.020 1.00 64.59 ? 848 CYS A SG 1 ATOM 5107 N N . THR A 1 767 ? 45.226 50.415 32.710 1.00 57.57 ? 849 THR A N 1 ATOM 5108 C CA . THR A 1 767 ? 46.124 51.136 31.803 1.00 72.14 ? 849 THR A CA 1 ATOM 5109 C C . THR A 1 767 ? 47.439 51.441 32.521 1.00 88.82 ? 849 THR A C 1 ATOM 5110 O O . THR A 1 767 ? 48.500 51.551 31.904 1.00 93.63 ? 849 THR A O 1 ATOM 5111 C CB . THR A 1 767 ? 45.483 52.437 31.290 1.00 75.60 ? 849 THR A CB 1 ATOM 5112 O OG1 . THR A 1 767 ? 44.169 52.158 30.795 1.00 81.12 ? 849 THR A OG1 1 ATOM 5113 C CG2 . THR A 1 767 ? 46.320 53.043 30.173 1.00 75.00 ? 849 THR A CG2 1 ATOM 5114 N N . HIS A 1 768 ? 47.334 51.565 33.839 1.00 97.52 ? 850 HIS A N 1 ATOM 5115 C CA . HIS A 1 768 ? 48.421 51.885 34.761 1.00 95.81 ? 850 HIS A CA 1 ATOM 5116 C C . HIS A 1 768 ? 49.609 50.951 34.540 1.00 86.05 ? 850 HIS A C 1 ATOM 5117 O O . HIS A 1 768 ? 49.538 49.741 34.758 1.00 75.38 ? 850 HIS A O 1 ATOM 5118 C CB . HIS A 1 768 ? 47.927 51.812 36.206 1.00 100.51 ? 850 HIS A CB 1 ATOM 5119 C CG . HIS A 1 768 ? 46.541 52.346 36.392 1.00 100.60 ? 850 HIS A CG 1 ATOM 5120 N ND1 . HIS A 1 768 ? 46.285 53.667 36.690 1.00 97.12 ? 850 HIS A ND1 1 ATOM 5121 C CD2 . HIS A 1 768 ? 45.334 51.738 36.311 1.00 97.19 ? 850 HIS A CD2 1 ATOM 5122 C CE1 . HIS A 1 768 ? 44.980 53.849 36.789 1.00 94.80 ? 850 HIS A CE1 1 ATOM 5123 N NE2 . HIS A 1 768 ? 44.380 52.694 36.563 1.00 92.47 ? 850 HIS A NE2 1 ATOM 5124 N N . GLY A 1 769 ? 50.704 51.567 34.093 1.00 90.80 ? 851 GLY A N 1 ATOM 5125 C CA . GLY A 1 769 ? 51.926 50.902 33.677 1.00 96.83 ? 851 GLY A CA 1 ATOM 5126 C C . GLY A 1 769 ? 52.176 51.361 32.248 1.00 107.09 ? 851 GLY A C 1 ATOM 5127 O O . GLY A 1 769 ? 53.276 51.202 31.714 1.00 113.33 ? 851 GLY A O 1 ATOM 5128 N N . LYS A 1 770 ? 51.135 51.925 31.638 1.00 109.91 ? 852 LYS A N 1 ATOM 5129 C CA . LYS A 1 770 ? 51.172 52.498 30.284 1.00 106.60 ? 852 LYS A CA 1 ATOM 5130 C C . LYS A 1 770 ? 51.594 51.635 29.095 1.00 103.43 ? 852 LYS A C 1 ATOM 5131 O O . LYS A 1 770 ? 52.269 52.126 28.189 1.00 101.11 ? 852 LYS A O 1 ATOM 5132 C CB . LYS A 1 770 ? 52.078 53.737 30.309 1.00 104.26 ? 852 LYS A CB 1 ATOM 5133 N N . ARG A 1 771 ? 51.218 50.364 29.088 1.00 99.90 ? 853 ARG A N 1 ATOM 5134 C CA . ARG A 1 771 ? 51.525 49.512 27.947 1.00 97.15 ? 853 ARG A CA 1 ATOM 5135 C C . ARG A 1 771 ? 50.308 49.506 27.019 1.00 105.49 ? 853 ARG A C 1 ATOM 5136 O O . ARG A 1 771 ? 49.485 48.594 27.080 1.00 117.36 ? 853 ARG A O 1 ATOM 5137 C CB . ARG A 1 771 ? 51.883 48.097 28.399 1.00 83.78 ? 853 ARG A CB 1 ATOM 5138 N N . GLU A 1 772 ? 50.200 50.522 26.163 1.00 97.26 ? 854 GLU A N 1 ATOM 5139 C CA . GLU A 1 772 ? 49.013 50.708 25.321 1.00 85.90 ? 854 GLU A CA 1 ATOM 5140 C C . GLU A 1 772 ? 48.731 49.570 24.341 1.00 73.08 ? 854 GLU A C 1 ATOM 5141 O O . GLU A 1 772 ? 47.577 49.195 24.135 1.00 72.36 ? 854 GLU A O 1 ATOM 5142 C CB . GLU A 1 772 ? 49.117 52.027 24.546 1.00 81.39 ? 854 GLU A CB 1 ATOM 5143 C CG . GLU A 1 772 ? 47.861 52.380 23.752 1.00 70.90 ? 854 GLU A CG 1 ATOM 5144 C CD . GLU A 1 772 ? 47.977 53.703 23.019 1.00 70.04 ? 854 GLU A CD 1 ATOM 5145 O OE1 . GLU A 1 772 ? 46.943 54.200 22.524 1.00 67.17 ? 854 GLU A OE1 1 ATOM 5146 O OE2 . GLU A 1 772 ? 49.099 54.245 22.934 1.00 76.08 ? 854 GLU A OE2 1 ATOM 5147 N N . SER A 1 773 ? 49.783 49.017 23.749 1.00 68.61 ? 855 SER A N 1 ATOM 5148 C CA . SER A 1 773 ? 49.635 47.954 22.757 1.00 69.63 ? 855 SER A CA 1 ATOM 5149 C C . SER A 1 773 ? 49.161 46.629 23.356 1.00 69.11 ? 855 SER A C 1 ATOM 5150 O O . SER A 1 773 ? 48.762 45.721 22.629 1.00 63.54 ? 855 SER A O 1 ATOM 5151 C CB . SER A 1 773 ? 50.953 47.740 22.011 1.00 71.19 ? 855 SER A CB 1 ATOM 5152 O OG . SER A 1 773 ? 51.968 47.294 22.893 1.00 70.49 ? 855 SER A OG 1 ATOM 5153 N N . SER A 1 774 ? 49.202 46.526 24.680 1.00 72.81 ? 856 SER A N 1 ATOM 5154 C CA . SER A 1 774 ? 48.835 45.290 25.367 1.00 65.02 ? 856 SER A CA 1 ATOM 5155 C C . SER A 1 774 ? 47.365 45.253 25.775 1.00 55.68 ? 856 SER A C 1 ATOM 5156 O O . SER A 1 774 ? 46.631 44.339 25.399 1.00 57.66 ? 856 SER A O 1 ATOM 5157 C CB . SER A 1 774 ? 49.725 45.069 26.591 1.00 67.89 ? 856 SER A CB 1 ATOM 5158 O OG . SER A 1 774 ? 49.595 46.139 27.508 1.00 79.65 ? 856 SER A OG 1 ATOM 5159 N N . TRP A 1 775 ? 46.941 46.247 26.548 1.00 42.21 ? 857 TRP A N 1 ATOM 5160 C CA . TRP A 1 775 ? 45.603 46.241 27.129 1.00 44.08 ? 857 TRP A CA 1 ATOM 5161 C C . TRP A 1 775 ? 44.484 46.419 26.102 1.00 45.27 ? 857 TRP A C 1 ATOM 5162 O O . TRP A 1 775 ? 43.364 45.960 26.324 1.00 39.72 ? 857 TRP A O 1 ATOM 5163 C CB . TRP A 1 775 ? 45.477 47.280 28.254 1.00 51.81 ? 857 TRP A CB 1 ATOM 5164 C CG . TRP A 1 775 ? 45.597 48.715 27.822 1.00 50.62 ? 857 TRP A CG 1 ATOM 5165 C CD1 . TRP A 1 775 ? 46.727 49.478 27.840 1.00 46.57 ? 857 TRP A CD1 1 ATOM 5166 C CD2 . TRP A 1 775 ? 44.556 49.556 27.309 1.00 41.92 ? 857 TRP A CD2 1 ATOM 5167 N NE1 . TRP A 1 775 ? 46.456 50.740 27.376 1.00 40.01 ? 857 TRP A NE1 1 ATOM 5168 C CE2 . TRP A 1 775 ? 45.131 50.814 27.040 1.00 41.98 ? 857 TRP A CE2 1 ATOM 5169 C CE3 . TRP A 1 775 ? 43.197 49.367 27.046 1.00 33.80 ? 857 TRP A CE3 1 ATOM 5170 C CZ2 . TRP A 1 775 ? 44.394 51.876 26.526 1.00 46.19 ? 857 TRP A CZ2 1 ATOM 5171 C CZ3 . TRP A 1 775 ? 42.467 50.423 26.540 1.00 36.02 ? 857 TRP A CZ3 1 ATOM 5172 C CH2 . TRP A 1 775 ? 43.067 51.661 26.282 1.00 42.12 ? 857 TRP A CH2 1 ATOM 5173 N N . VAL A 1 776 ? 44.778 47.085 24.989 1.00 51.21 ? 858 VAL A N 1 ATOM 5174 C CA . VAL A 1 776 ? 43.763 47.297 23.959 1.00 47.54 ? 858 VAL A CA 1 ATOM 5175 C C . VAL A 1 776 ? 43.355 45.999 23.254 1.00 45.34 ? 858 VAL A C 1 ATOM 5176 O O . VAL A 1 776 ? 42.165 45.697 23.155 1.00 38.93 ? 858 VAL A O 1 ATOM 5177 C CB . VAL A 1 776 ? 44.224 48.325 22.905 1.00 33.92 ? 858 VAL A CB 1 ATOM 5178 C CG1 . VAL A 1 776 ? 43.210 48.419 21.775 1.00 25.99 ? 858 VAL A CG1 1 ATOM 5179 C CG2 . VAL A 1 776 ? 44.428 49.687 23.549 1.00 29.31 ? 858 VAL A CG2 1 ATOM 5180 N N . GLU A 1 777 ? 44.332 45.238 22.765 1.00 39.03 ? 859 GLU A N 1 ATOM 5181 C CA . GLU A 1 777 ? 44.041 43.969 22.098 1.00 36.77 ? 859 GLU A CA 1 ATOM 5182 C C . GLU A 1 777 ? 43.340 42.988 23.029 1.00 37.57 ? 859 GLU A C 1 ATOM 5183 O O . GLU A 1 777 ? 42.509 42.191 22.595 1.00 41.13 ? 859 GLU A O 1 ATOM 5184 C CB . GLU A 1 777 ? 45.316 43.326 21.545 1.00 49.42 ? 859 GLU A CB 1 ATOM 5185 C CG . GLU A 1 777 ? 45.965 44.084 20.400 1.00 65.70 ? 859 GLU A CG 1 ATOM 5186 C CD . GLU A 1 777 ? 46.996 43.245 19.666 1.00 73.14 ? 859 GLU A CD 1 ATOM 5187 O OE1 . GLU A 1 777 ? 48.015 43.809 19.216 1.00 72.92 ? 859 GLU A OE1 1 ATOM 5188 O OE2 . GLU A 1 777 ? 46.783 42.020 19.539 1.00 70.07 ? 859 GLU A OE2 1 ATOM 5189 N N . GLU A 1 778 ? 43.682 43.051 24.311 1.00 43.00 ? 860 GLU A N 1 ATOM 5190 C CA . GLU A 1 778 ? 43.063 42.189 25.310 1.00 47.47 ? 860 GLU A CA 1 ATOM 5191 C C . GLU A 1 778 ? 41.613 42.590 25.557 1.00 42.02 ? 860 GLU A C 1 ATOM 5192 O O . GLU A 1 778 ? 40.787 41.763 25.941 1.00 34.27 ? 860 GLU A O 1 ATOM 5193 C CB . GLU A 1 778 ? 43.858 42.214 26.618 1.00 50.14 ? 860 GLU A CB 1 ATOM 5194 C CG . GLU A 1 778 ? 45.238 41.583 26.513 1.00 66.15 ? 860 GLU A CG 1 ATOM 5195 C CD . GLU A 1 778 ? 45.970 41.554 27.840 1.00 84.72 ? 860 GLU A CD 1 ATOM 5196 O OE1 . GLU A 1 778 ? 47.124 41.076 27.872 1.00 95.51 ? 860 GLU A OE1 1 ATOM 5197 O OE2 . GLU A 1 778 ? 45.394 42.011 28.849 1.00 85.84 ? 860 GLU A OE2 1 ATOM 5198 N N . LEU A 1 779 ? 41.313 43.867 25.344 1.00 42.95 ? 861 LEU A N 1 ATOM 5199 C CA . LEU A 1 779 ? 39.953 44.362 25.498 1.00 33.86 ? 861 LEU A CA 1 ATOM 5200 C C . LEU A 1 779 ? 39.106 43.980 24.286 1.00 34.35 ? 861 LEU A C 1 ATOM 5201 O O . LEU A 1 779 ? 37.936 43.618 24.425 1.00 33.50 ? 861 LEU A O 1 ATOM 5202 C CB . LEU A 1 779 ? 39.954 45.880 25.682 1.00 29.16 ? 861 LEU A CB 1 ATOM 5203 C CG . LEU A 1 779 ? 38.594 46.511 25.980 1.00 39.19 ? 861 LEU A CG 1 ATOM 5204 C CD1 . LEU A 1 779 ? 38.050 45.992 27.302 1.00 45.93 ? 861 LEU A CD1 1 ATOM 5205 C CD2 . LEU A 1 779 ? 38.703 48.020 26.008 1.00 16.47 ? 861 LEU A CD2 1 ATOM 5206 N N . LEU A 1 780 ? 39.703 44.067 23.100 1.00 36.08 ? 862 LEU A N 1 ATOM 5207 C CA . LEU A 1 780 ? 39.033 43.673 21.861 1.00 33.42 ? 862 LEU A CA 1 ATOM 5208 C C . LEU A 1 780 ? 38.648 42.199 21.886 1.00 29.49 ? 862 LEU A C 1 ATOM 5209 O O . LEU A 1 780 ? 37.503 41.845 21.603 1.00 28.59 ? 862 LEU A O 1 ATOM 5210 C CB . LEU A 1 780 ? 39.943 43.937 20.656 1.00 39.08 ? 862 LEU A CB 1 ATOM 5211 C CG . LEU A 1 780 ? 39.702 45.212 19.843 1.00 44.83 ? 862 LEU A CG 1 ATOM 5212 C CD1 . LEU A 1 780 ? 38.328 45.176 19.198 1.00 37.95 ? 862 LEU A CD1 1 ATOM 5213 C CD2 . LEU A 1 780 ? 39.853 46.451 20.716 1.00 56.91 ? 862 LEU A CD2 1 ATOM 5214 N N . THR A 1 781 ? 39.612 41.346 22.214 1.00 12.85 ? 863 THR A N 1 ATOM 5215 C CA . THR A 1 781 ? 39.397 39.903 22.215 1.00 33.55 ? 863 THR A CA 1 ATOM 5216 C C . THR A 1 781 ? 38.349 39.524 23.266 1.00 35.09 ? 863 THR A C 1 ATOM 5217 O O . THR A 1 781 ? 37.563 38.601 23.058 1.00 35.42 ? 863 THR A O 1 ATOM 5218 C CB . THR A 1 781 ? 40.726 39.132 22.453 1.00 22.93 ? 863 THR A CB 1 ATOM 5219 O OG1 . THR A 1 781 ? 40.522 37.733 22.216 1.00 36.18 ? 863 THR A OG1 1 ATOM 5220 C CG2 . THR A 1 781 ? 41.261 39.335 23.864 1.00 23.33 ? 863 THR A CG2 1 ATOM 5221 N N . LEU A 1 782 ? 38.348 40.236 24.391 1.00 40.64 ? 864 LEU A N 1 ATOM 5222 C CA . LEU A 1 782 ? 37.416 39.956 25.478 1.00 39.41 ? 864 LEU A CA 1 ATOM 5223 C C . LEU A 1 782 ? 35.980 40.319 25.118 1.00 37.53 ? 864 LEU A C 1 ATOM 5224 O O . LEU A 1 782 ? 35.040 39.635 25.523 1.00 35.18 ? 864 LEU A O 1 ATOM 5225 C CB . LEU A 1 782 ? 37.836 40.713 26.740 1.00 33.43 ? 864 LEU A CB 1 ATOM 5226 C CG . LEU A 1 782 ? 36.979 40.476 27.985 1.00 32.80 ? 864 LEU A CG 1 ATOM 5227 C CD1 . LEU A 1 782 ? 37.011 39.012 28.388 1.00 33.92 ? 864 LEU A CD1 1 ATOM 5228 C CD2 . LEU A 1 782 ? 37.436 41.365 29.132 1.00 34.57 ? 864 LEU A CD2 1 ATOM 5229 N N . HIS A 1 783 ? 35.811 41.392 24.353 1.00 37.50 ? 865 HIS A N 1 ATOM 5230 C CA . HIS A 1 783 ? 34.476 41.857 23.988 1.00 33.57 ? 865 HIS A CA 1 ATOM 5231 C C . HIS A 1 783 ? 34.101 41.479 22.560 1.00 30.89 ? 865 HIS A C 1 ATOM 5232 O O . HIS A 1 783 ? 33.309 42.165 21.915 1.00 11.65 ? 865 HIS A O 1 ATOM 5233 C CB . HIS A 1 783 ? 34.342 43.364 24.217 1.00 25.77 ? 865 HIS A CB 1 ATOM 5234 C CG . HIS A 1 783 ? 34.287 43.752 25.661 1.00 32.94 ? 865 HIS A CG 1 ATOM 5235 N ND1 . HIS A 1 783 ? 33.106 43.813 26.370 1.00 33.42 ? 865 HIS A ND1 1 ATOM 5236 C CD2 . HIS A 1 783 ? 35.266 44.094 26.532 1.00 34.27 ? 865 HIS A CD2 1 ATOM 5237 C CE1 . HIS A 1 783 ? 33.360 44.178 27.614 1.00 32.09 ? 865 HIS A CE1 1 ATOM 5238 N NE2 . HIS A 1 783 ? 34.663 44.355 27.738 1.00 31.77 ? 865 HIS A NE2 1 ATOM 5239 N N . ARG A 1 784 ? 34.679 40.385 22.075 1.00 24.23 ? 866 ARG A N 1 ATOM 5240 C CA . ARG A 1 784 ? 34.283 39.811 20.798 1.00 10.83 ? 866 ARG A CA 1 ATOM 5241 C C . ARG A 1 784 ? 32.852 39.308 20.914 1.00 28.84 ? 866 ARG A C 1 ATOM 5242 O O . ARG A 1 784 ? 32.413 38.920 21.994 1.00 36.51 ? 866 ARG A O 1 ATOM 5243 C CB . ARG A 1 784 ? 35.221 38.665 20.422 1.00 18.38 ? 866 ARG A CB 1 ATOM 5244 N N . ALA A 1 785 ? 32.117 39.325 19.810 1.00 23.84 ? 867 ALA A N 1 ATOM 5245 C CA . ALA A 1 785 ? 30.720 38.916 19.839 1.00 24.36 ? 867 ALA A CA 1 ATOM 5246 C C . ALA A 1 785 ? 30.287 38.296 18.519 1.00 23.51 ? 867 ALA A C 1 ATOM 5247 O O . ALA A 1 785 ? 30.952 38.458 17.496 1.00 24.52 ? 867 ALA A O 1 ATOM 5248 C CB . ALA A 1 785 ? 29.829 40.098 20.188 1.00 21.71 ? 867 ALA A CB 1 ATOM 5249 N N . ARG A 1 786 ? 29.171 37.576 18.554 1.00 17.87 ? 868 ARG A N 1 ATOM 5250 C CA . ARG A 1 786 ? 28.572 37.044 17.342 1.00 17.91 ? 868 ARG A CA 1 ATOM 5251 C C . ARG A 1 786 ? 28.066 38.206 16.503 1.00 20.99 ? 868 ARG A C 1 ATOM 5252 O O . ARG A 1 786 ? 27.742 39.268 17.034 1.00 17.01 ? 868 ARG A O 1 ATOM 5253 C CB . ARG A 1 786 ? 27.398 36.121 17.671 1.00 11.72 ? 868 ARG A CB 1 ATOM 5254 C CG . ARG A 1 786 ? 27.685 35.046 18.698 1.00 8.46 ? 868 ARG A CG 1 ATOM 5255 C CD . ARG A 1 786 ? 26.453 34.179 18.890 1.00 20.51 ? 868 ARG A CD 1 ATOM 5256 N NE . ARG A 1 786 ? 25.266 34.998 19.124 1.00 8.43 ? 868 ARG A NE 1 ATOM 5257 C CZ . ARG A 1 786 ? 24.023 34.529 19.155 1.00 25.12 ? 868 ARG A CZ 1 ATOM 5258 N NH1 . ARG A 1 786 ? 23.791 33.238 18.964 1.00 33.02 ? 868 ARG A NH1 1 ATOM 5259 N NH2 . ARG A 1 786 ? 23.010 35.356 19.375 1.00 21.18 ? 868 ARG A NH2 1 ATOM 5260 N N . VAL A 1 787 ? 28.006 38.010 15.190 1.00 15.29 ? 869 VAL A N 1 ATOM 5261 C CA . VAL A 1 787 ? 27.429 39.016 14.311 1.00 13.26 ? 869 VAL A CA 1 ATOM 5262 C C . VAL A 1 787 ? 25.944 39.143 14.634 1.00 16.05 ? 869 VAL A C 1 ATOM 5263 O O . VAL A 1 787 ? 25.360 40.220 14.522 1.00 21.89 ? 869 VAL A O 1 ATOM 5264 C CB . VAL A 1 787 ? 27.630 38.655 12.827 1.00 17.94 ? 869 VAL A CB 1 ATOM 5265 C CG1 . VAL A 1 787 ? 27.084 39.754 11.929 1.00 14.09 ? 869 VAL A CG1 1 ATOM 5266 C CG2 . VAL A 1 787 ? 29.104 38.418 12.538 1.00 19.30 ? 869 VAL A CG2 1 ATOM 5267 N N . THR A 1 788 ? 25.350 38.031 15.060 1.00 16.93 ? 870 THR A N 1 ATOM 5268 C CA . THR A 1 788 ? 23.960 38.003 15.497 1.00 18.58 ? 870 THR A CA 1 ATOM 5269 C C . THR A 1 788 ? 23.765 38.898 16.718 1.00 28.79 ? 870 THR A C 1 ATOM 5270 O O . THR A 1 788 ? 22.750 39.585 16.840 1.00 29.83 ? 870 THR A O 1 ATOM 5271 C CB . THR A 1 788 ? 23.509 36.570 15.837 1.00 24.11 ? 870 THR A CB 1 ATOM 5272 O OG1 . THR A 1 788 ? 23.670 35.734 14.685 1.00 26.25 ? 870 THR A OG1 1 ATOM 5273 C CG2 . THR A 1 788 ? 22.051 36.548 16.270 1.00 26.91 ? 870 THR A CG2 1 ATOM 5274 N N . ASP A 1 789 ? 24.746 38.886 17.617 1.00 31.63 ? 871 ASP A N 1 ATOM 5275 C CA . ASP A 1 789 ? 24.712 39.735 18.805 1.00 35.19 ? 871 ASP A CA 1 ATOM 5276 C C . ASP A 1 789 ? 24.650 41.205 18.411 1.00 30.09 ? 871 ASP A C 1 ATOM 5277 O O . ASP A 1 789 ? 23.906 41.986 19.001 1.00 37.58 ? 871 ASP A O 1 ATOM 5278 C CB . ASP A 1 789 ? 25.931 39.476 19.694 1.00 35.44 ? 871 ASP A CB 1 ATOM 5279 C CG . ASP A 1 789 ? 25.898 38.111 20.352 1.00 37.71 ? 871 ASP A CG 1 ATOM 5280 O OD1 . ASP A 1 789 ? 24.872 37.410 20.226 1.00 37.02 ? 871 ASP A OD1 1 ATOM 5281 O OD2 . ASP A 1 789 ? 26.904 37.735 20.991 1.00 40.59 ? 871 ASP A OD2 1 ATOM 5282 N N . VAL A 1 790 ? 25.443 41.572 17.411 1.00 21.82 ? 872 VAL A N 1 ATOM 5283 C CA . VAL A 1 790 ? 25.449 42.933 16.889 1.00 21.99 ? 872 VAL A CA 1 ATOM 5284 C C . VAL A 1 790 ? 24.112 43.260 16.226 1.00 21.84 ? 872 VAL A C 1 ATOM 5285 O O . VAL A 1 790 ? 23.576 44.357 16.388 1.00 25.69 ? 872 VAL A O 1 ATOM 5286 C CB . VAL A 1 790 ? 26.587 43.137 15.869 1.00 27.39 ? 872 VAL A CB 1 ATOM 5287 C CG1 . VAL A 1 790 ? 26.531 44.536 15.268 1.00 9.20 ? 872 VAL A CG1 1 ATOM 5288 C CG2 . VAL A 1 790 ? 27.933 42.889 16.526 1.00 9.25 ? 872 VAL A CG2 1 ATOM 5289 N N . GLU A 1 791 ? 23.576 42.294 15.487 1.00 20.02 ? 873 GLU A N 1 ATOM 5290 C CA . GLU A 1 791 ? 22.292 42.460 14.813 1.00 19.68 ? 873 GLU A CA 1 ATOM 5291 C C . GLU A 1 791 ? 21.175 42.714 15.815 1.00 21.18 ? 873 GLU A C 1 ATOM 5292 O O . GLU A 1 791 ? 20.339 43.598 15.626 1.00 18.93 ? 873 GLU A O 1 ATOM 5293 C CB . GLU A 1 791 ? 21.956 41.223 13.975 1.00 12.10 ? 873 GLU A CB 1 ATOM 5294 C CG . GLU A 1 791 ? 22.817 41.031 12.742 1.00 15.04 ? 873 GLU A CG 1 ATOM 5295 C CD . GLU A 1 791 ? 22.255 39.984 11.803 1.00 21.45 ? 873 GLU A CD 1 ATOM 5296 O OE1 . GLU A 1 791 ? 21.628 39.020 12.292 1.00 16.76 ? 873 GLU A OE1 1 ATOM 5297 O OE2 . GLU A 1 791 ? 22.438 40.126 10.576 1.00 35.27 ? 873 GLU A OE2 1 ATOM 5298 N N . LEU A 1 792 ? 21.171 41.920 16.879 1.00 25.15 ? 874 LEU A N 1 ATOM 5299 C CA . LEU A 1 792 ? 20.126 41.978 17.891 1.00 23.15 ? 874 LEU A CA 1 ATOM 5300 C C . LEU A 1 792 ? 20.143 43.295 18.662 1.00 23.81 ? 874 LEU A C 1 ATOM 5301 O O . LEU A 1 792 ? 19.097 43.802 19.065 1.00 14.39 ? 874 LEU A O 1 ATOM 5302 C CB . LEU A 1 792 ? 20.278 40.803 18.860 1.00 14.34 ? 874 LEU A CB 1 ATOM 5303 C CG . LEU A 1 792 ? 19.137 39.787 18.922 1.00 24.61 ? 874 LEU A CG 1 ATOM 5304 C CD1 . LEU A 1 792 ? 18.604 39.489 17.529 1.00 38.81 ? 874 LEU A CD1 1 ATOM 5305 C CD2 . LEU A 1 792 ? 19.607 38.510 19.603 1.00 24.62 ? 874 LEU A CD2 1 ATOM 5306 N N . ILE A 1 793 ? 21.334 43.851 18.851 1.00 23.40 ? 875 ILE A N 1 ATOM 5307 C CA . ILE A 1 793 ? 21.502 45.040 19.679 1.00 20.15 ? 875 ILE A CA 1 ATOM 5308 C C . ILE A 1 793 ? 21.443 46.345 18.880 1.00 24.64 ? 875 ILE A C 1 ATOM 5309 O O . ILE A 1 793 ? 21.319 47.426 19.456 1.00 30.00 ? 875 ILE A O 1 ATOM 5310 C CB . ILE A 1 793 ? 22.824 44.966 20.481 1.00 24.31 ? 875 ILE A CB 1 ATOM 5311 C CG1 . ILE A 1 793 ? 22.730 45.790 21.767 1.00 22.62 ? 875 ILE A CG1 1 ATOM 5312 C CG2 . ILE A 1 793 ? 24.004 45.397 19.619 1.00 31.64 ? 875 ILE A CG2 1 ATOM 5313 C CD1 . ILE A 1 793 ? 23.929 45.634 22.675 1.00 17.41 ? 875 ILE A CD1 1 ATOM 5314 N N . THR A 1 794 ? 21.526 46.242 17.557 1.00 25.61 ? 876 THR A N 1 ATOM 5315 C CA . THR A 1 794 ? 21.487 47.426 16.702 1.00 30.28 ? 876 THR A CA 1 ATOM 5316 C C . THR A 1 794 ? 20.270 47.450 15.783 1.00 27.81 ? 876 THR A C 1 ATOM 5317 O O . THR A 1 794 ? 19.920 48.494 15.234 1.00 34.05 ? 876 THR A O 1 ATOM 5318 C CB . THR A 1 794 ? 22.750 47.547 15.831 1.00 29.03 ? 876 THR A CB 1 ATOM 5319 O OG1 . THR A 1 794 ? 22.860 46.396 14.985 1.00 28.88 ? 876 THR A OG1 1 ATOM 5320 C CG2 . THR A 1 794 ? 23.988 47.650 16.705 1.00 10.56 ? 876 THR A CG2 1 ATOM 5321 N N . GLY A 1 795 ? 19.628 46.299 15.619 1.00 26.81 ? 877 GLY A N 1 ATOM 5322 C CA . GLY A 1 795 ? 18.478 46.191 14.743 1.00 31.90 ? 877 GLY A CA 1 ATOM 5323 C C . GLY A 1 795 ? 18.859 46.284 13.279 1.00 37.95 ? 877 GLY A C 1 ATOM 5324 O O . GLY A 1 795 ? 18.140 46.875 12.473 1.00 31.02 ? 877 GLY A O 1 ATOM 5325 N N . LEU A 1 796 ? 20.006 45.703 12.941 1.00 37.78 ? 878 LEU A N 1 ATOM 5326 C CA . LEU A 1 796 ? 20.494 45.688 11.568 1.00 24.37 ? 878 LEU A CA 1 ATOM 5327 C C . LEU A 1 796 ? 20.656 44.245 11.106 1.00 19.63 ? 878 LEU A C 1 ATOM 5328 O O . LEU A 1 796 ? 20.799 43.344 11.928 1.00 22.28 ? 878 LEU A O 1 ATOM 5329 C CB . LEU A 1 796 ? 21.828 46.428 11.465 1.00 8.60 ? 878 LEU A CB 1 ATOM 5330 C CG . LEU A 1 796 ? 21.850 47.873 11.970 1.00 17.43 ? 878 LEU A CG 1 ATOM 5331 C CD1 . LEU A 1 796 ? 23.258 48.445 11.909 1.00 21.66 ? 878 LEU A CD1 1 ATOM 5332 C CD2 . LEU A 1 796 ? 20.881 48.735 11.178 1.00 9.30 ? 878 LEU A CD2 1 ATOM 5333 N N . SER A 1 797 ? 20.625 44.025 9.795 1.00 21.99 ? 879 SER A N 1 ATOM 5334 C CA . SER A 1 797 ? 20.794 42.686 9.236 1.00 16.21 ? 879 SER A CA 1 ATOM 5335 C C . SER A 1 797 ? 21.883 42.683 8.172 1.00 25.22 ? 879 SER A C 1 ATOM 5336 O O . SER A 1 797 ? 21.803 43.425 7.194 1.00 35.21 ? 879 SER A O 1 ATOM 5337 C CB . SER A 1 797 ? 19.480 42.171 8.653 1.00 18.96 ? 879 SER A CB 1 ATOM 5338 O OG . SER A 1 797 ? 19.601 40.819 8.249 1.00 7.81 ? 879 SER A OG 1 ATOM 5339 N N . PHE A 1 798 ? 22.896 41.843 8.358 1.00 6.69 ? 880 PHE A N 1 ATOM 5340 C CA . PHE A 1 798 ? 24.039 41.827 7.452 1.00 18.49 ? 880 PHE A CA 1 ATOM 5341 C C . PHE A 1 798 ? 24.009 40.664 6.458 1.00 12.89 ? 880 PHE A C 1 ATOM 5342 O O . PHE A 1 798 ? 23.315 39.669 6.670 1.00 7.09 ? 880 PHE A O 1 ATOM 5343 C CB . PHE A 1 798 ? 25.339 41.783 8.257 1.00 15.09 ? 880 PHE A CB 1 ATOM 5344 C CG . PHE A 1 798 ? 25.445 42.864 9.294 1.00 19.25 ? 880 PHE A CG 1 ATOM 5345 C CD1 . PHE A 1 798 ? 25.786 44.160 8.939 1.00 18.05 ? 880 PHE A CD1 1 ATOM 5346 C CD2 . PHE A 1 798 ? 25.195 42.583 10.625 1.00 22.55 ? 880 PHE A CD2 1 ATOM 5347 C CE1 . PHE A 1 798 ? 25.880 45.154 9.896 1.00 7.90 ? 880 PHE A CE1 1 ATOM 5348 C CE2 . PHE A 1 798 ? 25.287 43.569 11.587 1.00 38.83 ? 880 PHE A CE2 1 ATOM 5349 C CZ . PHE A 1 798 ? 25.630 44.858 11.222 1.00 45.11 ? 880 PHE A CZ 1 ATOM 5350 N N . TYR A 1 799 ? 24.763 40.817 5.370 1.00 11.24 ? 881 TYR A N 1 ATOM 5351 C CA . TYR A 1 799 ? 25.006 39.747 4.400 1.00 17.03 ? 881 TYR A CA 1 ATOM 5352 C C . TYR A 1 799 ? 23.760 39.202 3.700 1.00 23.99 ? 881 TYR A C 1 ATOM 5353 O O . TYR A 1 799 ? 23.729 38.031 3.331 1.00 41.10 ? 881 TYR A O 1 ATOM 5354 C CB . TYR A 1 799 ? 25.741 38.576 5.067 1.00 16.95 ? 881 TYR A CB 1 ATOM 5355 C CG . TYR A 1 799 ? 26.990 38.963 5.828 1.00 5.93 ? 881 TYR A CG 1 ATOM 5356 C CD1 . TYR A 1 799 ? 27.811 39.989 5.382 1.00 27.94 ? 881 TYR A CD1 1 ATOM 5357 C CD2 . TYR A 1 799 ? 27.352 38.294 6.990 1.00 14.72 ? 881 TYR A CD2 1 ATOM 5358 C CE1 . TYR A 1 799 ? 28.956 40.342 6.073 1.00 20.59 ? 881 TYR A CE1 1 ATOM 5359 C CE2 . TYR A 1 799 ? 28.494 38.640 7.687 1.00 18.59 ? 881 TYR A CE2 1 ATOM 5360 C CZ . TYR A 1 799 ? 29.292 39.665 7.224 1.00 18.54 ? 881 TYR A CZ 1 ATOM 5361 O OH . TYR A 1 799 ? 30.428 40.009 7.918 1.00 23.20 ? 881 TYR A OH 1 ATOM 5362 N N . GLN A 1 800 ? 22.737 40.029 3.510 1.00 20.71 ? 882 GLN A N 1 ATOM 5363 C CA . GLN A 1 800 ? 21.492 39.535 2.921 1.00 28.66 ? 882 GLN A CA 1 ATOM 5364 C C . GLN A 1 800 ? 21.596 39.236 1.425 1.00 39.19 ? 882 GLN A C 1 ATOM 5365 O O . GLN A 1 800 ? 20.872 38.386 0.904 1.00 39.26 ? 882 GLN A O 1 ATOM 5366 C CB . GLN A 1 800 ? 20.325 40.490 3.194 1.00 35.21 ? 882 GLN A CB 1 ATOM 5367 C CG . GLN A 1 800 ? 19.788 40.440 4.615 1.00 34.68 ? 882 GLN A CG 1 ATOM 5368 C CD . GLN A 1 800 ? 18.323 40.831 4.691 1.00 36.79 ? 882 GLN A CD 1 ATOM 5369 O OE1 . GLN A 1 800 ? 17.662 41.016 3.668 1.00 43.36 ? 882 GLN A OE1 1 ATOM 5370 N NE2 . GLN A 1 800 ? 17.809 40.960 5.908 1.00 34.69 ? 882 GLN A NE2 1 ATOM 5371 N N . ASP A 1 801 ? 22.495 39.933 0.739 1.00 46.49 ? 883 ASP A N 1 ATOM 5372 C CA . ASP A 1 801 ? 22.697 39.724 -0.694 1.00 38.62 ? 883 ASP A CA 1 ATOM 5373 C C . ASP A 1 801 ? 23.823 38.731 -0.974 1.00 29.64 ? 883 ASP A C 1 ATOM 5374 O O . ASP A 1 801 ? 24.204 38.518 -2.123 1.00 22.92 ? 883 ASP A O 1 ATOM 5375 C CB . ASP A 1 801 ? 22.984 41.054 -1.393 1.00 36.06 ? 883 ASP A CB 1 ATOM 5376 C CG . ASP A 1 801 ? 21.764 41.950 -1.465 1.00 36.64 ? 883 ASP A CG 1 ATOM 5377 O OD1 . ASP A 1 801 ? 20.708 41.477 -1.933 1.00 36.08 ? 883 ASP A OD1 1 ATOM 5378 O OD2 . ASP A 1 801 ? 21.863 43.127 -1.060 1.00 45.83 ? 883 ASP A OD2 1 ATOM 5379 N N . ARG A 1 802 ? 24.351 38.128 0.085 1.00 32.00 ? 884 ARG A N 1 ATOM 5380 C CA . ARG A 1 802 ? 25.439 37.165 -0.036 1.00 32.50 ? 884 ARG A CA 1 ATOM 5381 C C . ARG A 1 802 ? 24.950 35.885 -0.714 1.00 31.51 ? 884 ARG A C 1 ATOM 5382 O O . ARG A 1 802 ? 23.797 35.490 -0.545 1.00 25.35 ? 884 ARG A O 1 ATOM 5383 C CB . ARG A 1 802 ? 26.014 36.876 1.352 1.00 38.75 ? 884 ARG A CB 1 ATOM 5384 C CG . ARG A 1 802 ? 27.321 36.113 1.360 1.00 35.53 ? 884 ARG A CG 1 ATOM 5385 C CD . ARG A 1 802 ? 28.375 36.773 0.492 1.00 30.63 ? 884 ARG A CD 1 ATOM 5386 N NE . ARG A 1 802 ? 29.509 35.883 0.268 1.00 29.46 ? 884 ARG A NE 1 ATOM 5387 C CZ . ARG A 1 802 ? 30.489 36.119 -0.597 1.00 32.18 ? 884 ARG A CZ 1 ATOM 5388 N NH1 . ARG A 1 802 ? 30.483 37.226 -1.327 1.00 43.03 ? 884 ARG A NH1 1 ATOM 5389 N NH2 . ARG A 1 802 ? 31.475 35.245 -0.730 1.00 27.11 ? 884 ARG A NH2 1 ATOM 5390 N N . GLN A 1 803 ? 25.829 35.239 -1.479 1.00 31.44 ? 885 GLN A N 1 ATOM 5391 C CA . GLN A 1 803 ? 25.437 34.090 -2.293 1.00 17.58 ? 885 GLN A CA 1 ATOM 5392 C C . GLN A 1 803 ? 25.038 32.862 -1.480 1.00 24.32 ? 885 GLN A C 1 ATOM 5393 O O . GLN A 1 803 ? 24.195 32.082 -1.919 1.00 29.83 ? 885 GLN A O 1 ATOM 5394 C CB . GLN A 1 803 ? 26.537 33.715 -3.293 1.00 16.88 ? 885 GLN A CB 1 ATOM 5395 C CG . GLN A 1 803 ? 27.829 33.231 -2.657 1.00 24.65 ? 885 GLN A CG 1 ATOM 5396 C CD . GLN A 1 803 ? 28.714 32.478 -3.631 1.00 26.09 ? 885 GLN A CD 1 ATOM 5397 O OE1 . GLN A 1 803 ? 28.228 31.851 -4.571 1.00 31.13 ? 885 GLN A OE1 1 ATOM 5398 N NE2 . GLN A 1 803 ? 30.022 32.530 -3.405 1.00 25.98 ? 885 GLN A NE2 1 ATOM 5399 N N . GLU A 1 804 ? 25.640 32.686 -0.307 1.00 31.41 ? 886 GLU A N 1 ATOM 5400 C CA . GLU A 1 804 ? 25.320 31.536 0.538 1.00 22.11 ? 886 GLU A CA 1 ATOM 5401 C C . GLU A 1 804 ? 23.870 31.610 1.008 1.00 24.97 ? 886 GLU A C 1 ATOM 5402 O O . GLU A 1 804 ? 23.282 32.689 1.056 1.00 24.48 ? 886 GLU A O 1 ATOM 5403 C CB . GLU A 1 804 ? 26.273 31.432 1.731 1.00 10.89 ? 886 GLU A CB 1 ATOM 5404 C CG . GLU A 1 804 ? 27.023 32.706 2.059 1.00 24.24 ? 886 GLU A CG 1 ATOM 5405 C CD . GLU A 1 804 ? 28.428 32.726 1.485 1.00 31.01 ? 886 GLU A CD 1 ATOM 5406 O OE1 . GLU A 1 804 ? 29.338 32.139 2.110 1.00 34.10 ? 886 GLU A OE1 1 ATOM 5407 O OE2 . GLU A 1 804 ? 28.627 33.332 0.414 1.00 24.36 ? 886 GLU A OE2 1 ATOM 5408 N N . SER A 1 805 ? 23.296 30.463 1.354 1.00 5.85 ? 887 SER A N 1 ATOM 5409 C CA . SER A 1 805 ? 21.904 30.415 1.788 1.00 28.80 ? 887 SER A CA 1 ATOM 5410 C C . SER A 1 805 ? 21.729 31.031 3.170 1.00 36.09 ? 887 SER A C 1 ATOM 5411 O O . SER A 1 805 ? 22.706 31.298 3.870 1.00 50.16 ? 887 SER A O 1 ATOM 5412 C CB . SER A 1 805 ? 21.386 28.976 1.795 1.00 25.36 ? 887 SER A CB 1 ATOM 5413 O OG . SER A 1 805 ? 22.005 28.214 2.815 1.00 11.11 ? 887 SER A OG 1 ATOM 5414 N N . VAL A 1 806 ? 20.475 31.262 3.546 1.00 33.78 ? 888 VAL A N 1 ATOM 5415 C CA . VAL A 1 806 ? 20.146 31.854 4.837 1.00 29.09 ? 888 VAL A CA 1 ATOM 5416 C C . VAL A 1 806 ? 20.701 31.004 5.974 1.00 35.88 ? 888 VAL A C 1 ATOM 5417 O O . VAL A 1 806 ? 21.298 31.528 6.916 1.00 35.58 ? 888 VAL A O 1 ATOM 5418 C CB . VAL A 1 806 ? 18.627 32.024 5.011 1.00 19.89 ? 888 VAL A CB 1 ATOM 5419 C CG1 . VAL A 1 806 ? 18.305 32.556 6.398 1.00 20.52 ? 888 VAL A CG1 1 ATOM 5420 C CG2 . VAL A 1 806 ? 18.073 32.950 3.939 1.00 19.22 ? 888 VAL A CG2 1 ATOM 5421 N N . SER A 1 807 ? 20.506 29.693 5.872 1.00 30.99 ? 889 SER A N 1 ATOM 5422 C CA . SER A 1 807 ? 20.988 28.756 6.881 1.00 22.39 ? 889 SER A CA 1 ATOM 5423 C C . SER A 1 807 ? 22.505 28.833 7.033 1.00 21.53 ? 889 SER A C 1 ATOM 5424 O O . SER A 1 807 ? 23.027 28.738 8.142 1.00 22.03 ? 889 SER A O 1 ATOM 5425 C CB . SER A 1 807 ? 20.557 27.331 6.531 1.00 21.65 ? 889 SER A CB 1 ATOM 5426 O OG . SER A 1 807 ? 20.960 26.413 7.532 1.00 26.55 ? 889 SER A OG 1 ATOM 5427 N N . GLU A 1 808 ? 23.210 28.995 5.917 1.00 28.74 ? 890 GLU A N 1 ATOM 5428 C CA . GLU A 1 808 ? 24.660 29.144 5.948 1.00 5.07 ? 890 GLU A CA 1 ATOM 5429 C C . GLU A 1 808 ? 25.022 30.460 6.613 1.00 5.18 ? 890 GLU A C 1 ATOM 5430 O O . GLU A 1 808 ? 25.957 30.528 7.405 1.00 35.22 ? 890 GLU A O 1 ATOM 5431 C CB . GLU A 1 808 ? 25.252 29.117 4.539 1.00 20.65 ? 890 GLU A CB 1 ATOM 5432 C CG . GLU A 1 808 ? 24.983 27.847 3.755 1.00 47.62 ? 890 GLU A CG 1 ATOM 5433 C CD . GLU A 1 808 ? 25.494 27.936 2.328 1.00 65.20 ? 890 GLU A CD 1 ATOM 5434 O OE1 . GLU A 1 808 ? 24.708 27.676 1.390 1.00 55.48 ? 890 GLU A OE1 1 ATOM 5435 O OE2 . GLU A 1 808 ? 26.687 28.260 2.146 1.00 75.08 ? 890 GLU A OE2 1 ATOM 5436 N N . LEU A 1 809 ? 24.283 31.510 6.271 1.00 17.89 ? 891 LEU A N 1 ATOM 5437 C CA . LEU A 1 809 ? 24.548 32.834 6.815 1.00 23.94 ? 891 LEU A CA 1 ATOM 5438 C C . LEU A 1 809 ? 24.237 32.895 8.305 1.00 29.56 ? 891 LEU A C 1 ATOM 5439 O O . LEU A 1 809 ? 24.874 33.643 9.047 1.00 15.15 ? 891 LEU A O 1 ATOM 5440 C CB . LEU A 1 809 ? 23.763 33.898 6.046 1.00 19.79 ? 891 LEU A CB 1 ATOM 5441 C CG . LEU A 1 809 ? 24.216 34.119 4.604 1.00 18.87 ? 891 LEU A CG 1 ATOM 5442 C CD1 . LEU A 1 809 ? 23.197 34.951 3.855 1.00 22.03 ? 891 LEU A CD1 1 ATOM 5443 C CD2 . LEU A 1 809 ? 25.576 34.795 4.585 1.00 14.64 ? 891 LEU A CD2 1 ATOM 5444 N N . LEU A 1 810 ? 23.253 32.114 8.740 1.00 25.10 ? 892 LEU A N 1 ATOM 5445 C CA . LEU A 1 810 ? 22.954 32.018 10.162 1.00 16.90 ? 892 LEU A CA 1 ATOM 5446 C C . LEU A 1 810 ? 24.123 31.356 10.881 1.00 23.18 ? 892 LEU A C 1 ATOM 5447 O O . LEU A 1 810 ? 24.507 31.769 11.974 1.00 27.02 ? 892 LEU A O 1 ATOM 5448 C CB . LEU A 1 810 ? 21.668 31.225 10.409 1.00 8.05 ? 892 LEU A CB 1 ATOM 5449 C CG . LEU A 1 810 ? 20.340 31.830 9.950 1.00 16.32 ? 892 LEU A CG 1 ATOM 5450 C CD1 . LEU A 1 810 ? 19.179 30.974 10.429 1.00 24.10 ? 892 LEU A CD1 1 ATOM 5451 C CD2 . LEU A 1 810 ? 20.188 33.263 10.444 1.00 5.82 ? 892 LEU A CD2 1 ATOM 5452 N N . ARG A 1 811 ? 24.685 30.324 10.256 1.00 17.92 ? 893 ARG A N 1 ATOM 5453 C CA . ARG A 1 811 ? 25.852 29.641 10.799 1.00 28.79 ? 893 ARG A CA 1 ATOM 5454 C C . ARG A 1 811 ? 27.025 30.604 10.964 1.00 23.25 ? 893 ARG A C 1 ATOM 5455 O O . ARG A 1 811 ? 27.749 30.558 11.957 1.00 29.08 ? 893 ARG A O 1 ATOM 5456 C CB . ARG A 1 811 ? 26.266 28.501 9.866 1.00 45.87 ? 893 ARG A CB 1 ATOM 5457 C CG . ARG A 1 811 ? 26.978 27.355 10.556 1.00 56.02 ? 893 ARG A CG 1 ATOM 5458 C CD . ARG A 1 811 ? 27.721 26.475 9.560 1.00 66.79 ? 893 ARG A CD 1 ATOM 5459 N NE . ARG A 1 811 ? 26.837 25.744 8.657 1.00 70.77 ? 893 ARG A NE 1 ATOM 5460 C CZ . ARG A 1 811 ? 27.096 25.558 7.366 1.00 63.64 ? 893 ARG A CZ 1 ATOM 5461 N NH1 . ARG A 1 811 ? 28.220 26.029 6.844 1.00 53.72 ? 893 ARG A NH1 1 ATOM 5462 N NH2 . ARG A 1 811 ? 26.249 24.880 6.603 1.00 62.07 ? 893 ARG A NH2 1 ATOM 5463 N N . LEU A 1 812 ? 27.206 31.472 9.973 1.00 13.26 ? 894 LEU A N 1 ATOM 5464 C CA . LEU A 1 812 ? 28.312 32.423 9.973 1.00 13.01 ? 894 LEU A CA 1 ATOM 5465 C C . LEU A 1 812 ? 28.161 33.498 11.042 1.00 19.75 ? 894 LEU A C 1 ATOM 5466 O O . LEU A 1 812 ? 29.132 33.874 11.699 1.00 32.20 ? 894 LEU A O 1 ATOM 5467 C CB . LEU A 1 812 ? 28.423 33.087 8.598 1.00 16.38 ? 894 LEU A CB 1 ATOM 5468 C CG . LEU A 1 812 ? 29.530 34.123 8.382 1.00 6.06 ? 894 LEU A CG 1 ATOM 5469 C CD1 . LEU A 1 812 ? 30.889 33.452 8.305 1.00 6.20 ? 894 LEU A CD1 1 ATOM 5470 C CD2 . LEU A 1 812 ? 29.264 34.940 7.127 1.00 8.10 ? 894 LEU A CD2 1 ATOM 5471 N N . LYS A 1 813 ? 26.939 33.992 11.205 1.00 20.01 ? 895 LYS A N 1 ATOM 5472 C CA . LYS A 1 813 ? 26.679 35.114 12.102 1.00 31.21 ? 895 LYS A CA 1 ATOM 5473 C C . LYS A 1 813 ? 26.581 34.720 13.578 1.00 35.48 ? 895 LYS A C 1 ATOM 5474 O O . LYS A 1 813 ? 26.736 35.563 14.461 1.00 32.19 ? 895 LYS A O 1 ATOM 5475 C CB . LYS A 1 813 ? 25.417 35.857 11.657 1.00 34.16 ? 895 LYS A CB 1 ATOM 5476 C CG . LYS A 1 813 ? 25.564 36.497 10.281 1.00 27.21 ? 895 LYS A CG 1 ATOM 5477 C CD . LYS A 1 813 ? 24.456 37.491 9.978 1.00 24.16 ? 895 LYS A CD 1 ATOM 5478 C CE . LYS A 1 813 ? 23.236 36.790 9.402 1.00 19.57 ? 895 LYS A CE 1 ATOM 5479 N NZ . LYS A 1 813 ? 22.233 37.754 8.870 1.00 12.54 ? 895 LYS A NZ 1 ATOM 5480 N N . THR A 1 814 ? 26.325 33.442 13.840 1.00 35.32 ? 896 THR A N 1 ATOM 5481 C CA . THR A 1 814 ? 26.209 32.952 15.211 1.00 28.06 ? 896 THR A CA 1 ATOM 5482 C C . THR A 1 814 ? 27.515 32.349 15.734 1.00 32.85 ? 896 THR A C 1 ATOM 5483 O O . THR A 1 814 ? 27.531 31.692 16.775 1.00 39.93 ? 896 THR A O 1 ATOM 5484 C CB . THR A 1 814 ? 25.071 31.916 15.362 1.00 19.65 ? 896 THR A CB 1 ATOM 5485 O OG1 . THR A 1 814 ? 25.331 30.784 14.525 1.00 34.61 ? 896 THR A OG1 1 ATOM 5486 C CG2 . THR A 1 814 ? 23.735 32.529 14.976 1.00 21.19 ? 896 THR A CG2 1 ATOM 5487 N N . HIS A 1 815 ? 28.603 32.574 15.006 1.00 32.38 ? 897 HIS A N 1 ATOM 5488 C CA . HIS A 1 815 ? 29.886 31.946 15.316 1.00 26.49 ? 897 HIS A CA 1 ATOM 5489 C C . HIS A 1 815 ? 30.754 32.747 16.286 1.00 21.99 ? 897 HIS A C 1 ATOM 5490 O O . HIS A 1 815 ? 30.790 33.975 16.233 1.00 26.99 ? 897 HIS A O 1 ATOM 5491 C CB . HIS A 1 815 ? 30.666 31.689 14.024 1.00 29.76 ? 897 HIS A CB 1 ATOM 5492 C CG . HIS A 1 815 ? 32.015 31.080 14.244 1.00 27.63 ? 897 HIS A CG 1 ATOM 5493 N ND1 . HIS A 1 815 ? 32.193 29.736 14.491 1.00 28.06 ? 897 HIS A ND1 1 ATOM 5494 C CD2 . HIS A 1 815 ? 33.250 31.633 14.256 1.00 18.15 ? 897 HIS A CD2 1 ATOM 5495 C CE1 . HIS A 1 815 ? 33.481 29.486 14.646 1.00 20.60 ? 897 HIS A CE1 1 ATOM 5496 N NE2 . HIS A 1 815 ? 34.144 30.620 14.509 1.00 19.10 ? 897 HIS A NE2 1 ATOM 5497 N N . LEU A 1 816 ? 31.454 32.037 17.169 1.00 26.08 ? 898 LEU A N 1 ATOM 5498 C CA . LEU A 1 816 ? 32.450 32.653 18.043 1.00 23.11 ? 898 LEU A CA 1 ATOM 5499 C C . LEU A 1 816 ? 33.683 31.767 18.205 1.00 21.99 ? 898 LEU A C 1 ATOM 5500 O O . LEU A 1 816 ? 33.562 30.549 18.332 1.00 28.56 ? 898 LEU A O 1 ATOM 5501 C CB . LEU A 1 816 ? 31.856 32.939 19.424 1.00 27.90 ? 898 LEU A CB 1 ATOM 5502 C CG . LEU A 1 816 ? 31.151 34.284 19.610 1.00 31.34 ? 898 LEU A CG 1 ATOM 5503 C CD1 . LEU A 1 816 ? 30.731 34.464 21.058 1.00 23.57 ? 898 LEU A CD1 1 ATOM 5504 C CD2 . LEU A 1 816 ? 32.057 35.419 19.170 1.00 29.22 ? 898 LEU A CD2 1 ATOM 5505 N N . PRO A 1 817 ? 34.879 32.381 18.196 1.00 29.18 ? 899 PRO A N 1 ATOM 5506 C CA . PRO A 1 817 ? 36.154 31.679 18.393 1.00 28.82 ? 899 PRO A CA 1 ATOM 5507 C C . PRO A 1 817 ? 36.374 31.288 19.854 1.00 32.41 ? 899 PRO A C 1 ATOM 5508 O O . PRO A 1 817 ? 35.978 32.024 20.757 1.00 41.01 ? 899 PRO A O 1 ATOM 5509 C CB . PRO A 1 817 ? 37.189 32.722 17.967 1.00 23.40 ? 899 PRO A CB 1 ATOM 5510 C CG . PRO A 1 817 ? 36.534 34.024 18.235 1.00 36.20 ? 899 PRO A CG 1 ATOM 5511 C CD . PRO A 1 817 ? 35.077 33.817 17.934 1.00 37.21 ? 899 PRO A CD 1 ATOM 5512 N N . ILE A 1 818 ? 37.001 30.138 20.073 1.00 20.11 ? 900 ILE A N 1 ATOM 5513 C CA . ILE A 1 818 ? 37.292 29.651 21.420 1.00 21.63 ? 900 ILE A CA 1 ATOM 5514 C C . ILE A 1 818 ? 38.639 30.158 21.937 1.00 22.61 ? 900 ILE A C 1 ATOM 5515 O O . ILE A 1 818 ? 39.653 30.061 21.245 1.00 25.33 ? 900 ILE A O 1 ATOM 5516 C CB . ILE A 1 818 ? 37.261 28.101 21.473 1.00 22.59 ? 900 ILE A CB 1 ATOM 5517 C CG1 . ILE A 1 818 ? 35.828 27.593 21.652 1.00 28.05 ? 900 ILE A CG1 1 ATOM 5518 C CG2 . ILE A 1 818 ? 38.128 27.572 22.603 1.00 23.70 ? 900 ILE A CG2 1 ATOM 5519 C CD1 . ILE A 1 818 ? 34.974 27.681 20.402 1.00 42.91 ? 900 ILE A CD1 1 ATOM 5520 N N . PHE A 1 819 ? 38.644 30.706 23.151 1.00 23.74 ? 901 PHE A N 1 ATOM 5521 C CA . PHE A 1 819 ? 39.880 31.163 23.779 1.00 33.53 ? 901 PHE A CA 1 ATOM 5522 C C . PHE A 1 819 ? 40.762 29.978 24.157 1.00 52.59 ? 901 PHE A C 1 ATOM 5523 O O . PHE A 1 819 ? 40.289 29.009 24.755 1.00 55.04 ? 901 PHE A O 1 ATOM 5524 C CB . PHE A 1 819 ? 39.588 31.992 25.034 1.00 41.07 ? 901 PHE A CB 1 ATOM 5525 C CG . PHE A 1 819 ? 38.830 33.262 24.773 1.00 50.32 ? 901 PHE A CG 1 ATOM 5526 C CD1 . PHE A 1 819 ? 38.823 33.843 23.516 1.00 62.35 ? 901 PHE A CD1 1 ATOM 5527 C CD2 . PHE A 1 819 ? 38.137 33.886 25.798 1.00 36.36 ? 901 PHE A CD2 1 ATOM 5528 C CE1 . PHE A 1 819 ? 38.128 35.016 23.283 1.00 53.73 ? 901 PHE A CE1 1 ATOM 5529 C CE2 . PHE A 1 819 ? 37.442 35.059 25.574 1.00 32.85 ? 901 PHE A CE2 1 ATOM 5530 C CZ . PHE A 1 819 ? 37.437 35.625 24.314 1.00 42.30 ? 901 PHE A CZ 1 ATOM 5531 N N . SER A 1 820 ? 42.042 30.066 23.799 1.00 61.62 ? 902 SER A N 1 ATOM 5532 C CA . SER A 1 820 ? 43.020 29.019 24.094 1.00 68.35 ? 902 SER A CA 1 ATOM 5533 C C . SER A 1 820 ? 42.608 27.659 23.538 1.00 75.65 ? 902 SER A C 1 ATOM 5534 O O . SER A 1 820 ? 43.096 27.230 22.493 1.00 82.34 ? 902 SER A O 1 ATOM 5535 C CB . SER A 1 820 ? 43.278 28.921 25.602 1.00 64.12 ? 902 SER A CB 1 ATOM 5536 O OG . SER A 1 820 ? 44.177 27.867 25.902 1.00 59.29 ? 902 SER A OG 1 ATOM 5537 N N . LYS B 1 88 ? 16.079 61.856 -13.925 1.00 50.84 ? 170 LYS B N 1 ATOM 5538 C CA . LYS B 1 88 ? 17.238 60.972 -13.884 1.00 58.78 ? 170 LYS B CA 1 ATOM 5539 C C . LYS B 1 88 ? 16.925 59.624 -14.528 1.00 71.56 ? 170 LYS B C 1 ATOM 5540 O O . LYS B 1 88 ? 15.913 58.998 -14.213 1.00 60.65 ? 170 LYS B O 1 ATOM 5541 C CB . LYS B 1 88 ? 17.709 60.770 -12.441 1.00 45.34 ? 170 LYS B CB 1 ATOM 5542 N N . SER B 1 89 ? 17.796 59.184 -15.431 1.00 80.27 ? 171 SER B N 1 ATOM 5543 C CA . SER B 1 89 ? 17.612 57.900 -16.098 1.00 74.76 ? 171 SER B CA 1 ATOM 5544 C C . SER B 1 89 ? 17.853 56.747 -15.131 1.00 65.96 ? 171 SER B C 1 ATOM 5545 O O . SER B 1 89 ? 18.419 56.941 -14.054 1.00 66.94 ? 171 SER B O 1 ATOM 5546 C CB . SER B 1 89 ? 18.546 57.778 -17.303 1.00 83.96 ? 171 SER B CB 1 ATOM 5547 O OG . SER B 1 89 ? 18.447 58.913 -18.146 1.00 98.44 ? 171 SER B OG 1 ATOM 5548 N N . TRP B 1 90 ? 17.421 55.550 -15.516 1.00 58.68 ? 172 TRP B N 1 ATOM 5549 C CA . TRP B 1 90 ? 17.573 54.374 -14.665 1.00 47.35 ? 172 TRP B CA 1 ATOM 5550 C C . TRP B 1 90 ? 19.048 54.054 -14.435 1.00 35.72 ? 172 TRP B C 1 ATOM 5551 O O . TRP B 1 90 ? 19.447 53.656 -13.341 1.00 28.33 ? 172 TRP B O 1 ATOM 5552 C CB . TRP B 1 90 ? 16.862 53.161 -15.268 1.00 43.89 ? 172 TRP B CB 1 ATOM 5553 C CG . TRP B 1 90 ? 16.986 51.942 -14.414 1.00 44.55 ? 172 TRP B CG 1 ATOM 5554 C CD1 . TRP B 1 90 ? 16.149 51.561 -13.406 1.00 59.17 ? 172 TRP B CD1 1 ATOM 5555 C CD2 . TRP B 1 90 ? 18.018 50.951 -14.473 1.00 42.34 ? 172 TRP B CD2 1 ATOM 5556 N NE1 . TRP B 1 90 ? 16.591 50.390 -12.840 1.00 62.39 ? 172 TRP B NE1 1 ATOM 5557 C CE2 . TRP B 1 90 ? 17.738 49.996 -13.477 1.00 51.43 ? 172 TRP B CE2 1 ATOM 5558 C CE3 . TRP B 1 90 ? 19.150 50.778 -15.275 1.00 43.99 ? 172 TRP B CE3 1 ATOM 5559 C CZ2 . TRP B 1 90 ? 18.547 48.883 -13.262 1.00 48.13 ? 172 TRP B CZ2 1 ATOM 5560 C CZ3 . TRP B 1 90 ? 19.952 49.673 -15.060 1.00 42.35 ? 172 TRP B CZ3 1 ATOM 5561 C CH2 . TRP B 1 90 ? 19.647 48.740 -14.062 1.00 39.68 ? 172 TRP B CH2 1 ATOM 5562 N N . VAL B 1 91 ? 19.847 54.231 -15.483 1.00 39.00 ? 173 VAL B N 1 ATOM 5563 C CA . VAL B 1 91 ? 21.282 53.964 -15.439 1.00 37.06 ? 173 VAL B CA 1 ATOM 5564 C C . VAL B 1 91 ? 21.987 54.978 -14.542 1.00 31.44 ? 173 VAL B C 1 ATOM 5565 O O . VAL B 1 91 ? 23.036 54.696 -13.962 1.00 38.63 ? 173 VAL B O 1 ATOM 5566 C CB . VAL B 1 91 ? 21.895 53.958 -16.864 1.00 28.80 ? 173 VAL B CB 1 ATOM 5567 C CG1 . VAL B 1 91 ? 21.744 55.322 -17.524 1.00 17.32 ? 173 VAL B CG1 1 ATOM 5568 C CG2 . VAL B 1 91 ? 23.358 53.528 -16.830 1.00 24.93 ? 173 VAL B CG2 1 ATOM 5569 N N . GLU B 1 92 ? 21.382 56.153 -14.416 1.00 29.16 ? 174 GLU B N 1 ATOM 5570 C CA . GLU B 1 92 ? 21.937 57.234 -13.614 1.00 41.21 ? 174 GLU B CA 1 ATOM 5571 C C . GLU B 1 92 ? 21.689 57.009 -12.128 1.00 46.71 ? 174 GLU B C 1 ATOM 5572 O O . GLU B 1 92 ? 22.391 57.562 -11.282 1.00 48.06 ? 174 GLU B O 1 ATOM 5573 C CB . GLU B 1 92 ? 21.366 58.584 -14.054 1.00 52.29 ? 174 GLU B CB 1 ATOM 5574 C CG . GLU B 1 92 ? 21.783 59.006 -15.453 1.00 66.45 ? 174 GLU B CG 1 ATOM 5575 C CD . GLU B 1 92 ? 21.172 60.328 -15.869 1.00 74.43 ? 174 GLU B CD 1 ATOM 5576 O OE1 . GLU B 1 92 ? 20.264 60.812 -15.162 1.00 72.48 ? 174 GLU B OE1 1 ATOM 5577 O OE2 . GLU B 1 92 ? 21.601 60.883 -16.903 1.00 81.23 ? 174 GLU B OE2 1 ATOM 5578 N N . GLU B 1 93 ? 20.686 56.196 -11.815 1.00 45.49 ? 175 GLU B N 1 ATOM 5579 C CA . GLU B 1 93 ? 20.370 55.885 -10.427 1.00 39.18 ? 175 GLU B CA 1 ATOM 5580 C C . GLU B 1 93 ? 21.321 54.829 -9.867 1.00 44.36 ? 175 GLU B C 1 ATOM 5581 O O . GLU B 1 93 ? 21.878 54.024 -10.612 1.00 52.12 ? 175 GLU B O 1 ATOM 5582 C CB . GLU B 1 93 ? 18.918 55.420 -10.297 1.00 41.10 ? 175 GLU B CB 1 ATOM 5583 C CG . GLU B 1 93 ? 17.891 56.515 -10.544 1.00 52.97 ? 175 GLU B CG 1 ATOM 5584 C CD . GLU B 1 93 ? 16.467 56.042 -10.320 1.00 71.93 ? 175 GLU B CD 1 ATOM 5585 O OE1 . GLU B 1 93 ? 16.214 54.826 -10.458 1.00 79.09 ? 175 GLU B OE1 1 ATOM 5586 O OE2 . GLU B 1 93 ? 15.599 56.886 -10.013 1.00 81.18 ? 175 GLU B OE2 1 ATOM 5587 N N . THR B 1 94 ? 21.509 54.839 -8.551 1.00 44.48 ? 176 THR B N 1 ATOM 5588 C CA . THR B 1 94 ? 22.400 53.882 -7.900 1.00 45.71 ? 176 THR B CA 1 ATOM 5589 C C . THR B 1 94 ? 21.686 52.560 -7.651 1.00 34.40 ? 176 THR B C 1 ATOM 5590 O O . THR B 1 94 ? 20.526 52.395 -8.030 1.00 21.48 ? 176 THR B O 1 ATOM 5591 C CB . THR B 1 94 ? 22.938 54.431 -6.567 1.00 55.43 ? 176 THR B CB 1 ATOM 5592 O OG1 . THR B 1 94 ? 23.848 53.487 -5.991 1.00 55.62 ? 176 THR B OG1 1 ATOM 5593 C CG2 . THR B 1 94 ? 21.795 54.685 -5.595 1.00 63.93 ? 176 THR B CG2 1 ATOM 5594 N N . CYS B 1 95 ? 22.377 51.618 -7.017 1.00 30.77 ? 177 CYS B N 1 ATOM 5595 C CA . CYS B 1 95 ? 21.767 50.330 -6.723 1.00 30.98 ? 177 CYS B CA 1 ATOM 5596 C C . CYS B 1 95 ? 20.740 50.501 -5.611 1.00 39.59 ? 177 CYS B C 1 ATOM 5597 O O . CYS B 1 95 ? 20.981 51.221 -4.642 1.00 41.44 ? 177 CYS B O 1 ATOM 5598 C CB . CYS B 1 95 ? 22.819 49.300 -6.310 1.00 18.07 ? 177 CYS B CB 1 ATOM 5599 S SG . CYS B 1 95 ? 24.133 49.028 -7.521 1.00 77.44 ? 177 CYS B SG 1 ATOM 5600 N N . GLU B 1 96 ? 19.599 49.836 -5.747 1.00 40.67 ? 178 GLU B N 1 ATOM 5601 C CA . GLU B 1 96 ? 18.576 49.856 -4.709 1.00 41.97 ? 178 GLU B CA 1 ATOM 5602 C C . GLU B 1 96 ? 18.075 48.447 -4.409 1.00 42.66 ? 178 GLU B C 1 ATOM 5603 O O . GLU B 1 96 ? 17.669 47.719 -5.315 1.00 42.64 ? 178 GLU B O 1 ATOM 5604 C CB . GLU B 1 96 ? 17.416 50.773 -5.107 1.00 54.95 ? 178 GLU B CB 1 ATOM 5605 C CG . GLU B 1 96 ? 17.821 52.246 -5.145 1.00 67.18 ? 178 GLU B CG 1 ATOM 5606 C CD . GLU B 1 96 ? 16.654 53.190 -5.350 1.00 74.26 ? 178 GLU B CD 1 ATOM 5607 O OE1 . GLU B 1 96 ? 15.520 52.706 -5.528 1.00 71.19 ? 178 GLU B OE1 1 ATOM 5608 O OE2 . GLU B 1 96 ? 16.875 54.421 -5.332 1.00 80.96 ? 178 GLU B OE2 1 ATOM 5609 N N . SER B 1 97 ? 18.101 48.071 -3.135 1.00 42.57 ? 179 SER B N 1 ATOM 5610 C CA . SER B 1 97 ? 17.691 46.733 -2.718 1.00 39.39 ? 179 SER B CA 1 ATOM 5611 C C . SER B 1 97 ? 16.184 46.533 -2.866 1.00 41.93 ? 179 SER B C 1 ATOM 5612 O O . SER B 1 97 ? 15.385 47.256 -2.271 1.00 48.05 ? 179 SER B O 1 ATOM 5613 C CB . SER B 1 97 ? 18.114 46.469 -1.272 1.00 37.12 ? 179 SER B CB 1 ATOM 5614 O OG . SER B 1 97 ? 17.454 47.354 -0.386 1.00 60.29 ? 179 SER B OG 1 ATOM 5615 N N . ILE B 1 98 ? 15.811 45.541 -3.669 1.00 30.59 ? 180 ILE B N 1 ATOM 5616 C CA . ILE B 1 98 ? 14.413 45.193 -3.893 1.00 23.33 ? 180 ILE B CA 1 ATOM 5617 C C . ILE B 1 98 ? 14.057 43.909 -3.146 1.00 28.29 ? 180 ILE B C 1 ATOM 5618 O O . ILE B 1 98 ? 13.877 42.853 -3.753 1.00 23.71 ? 180 ILE B O 1 ATOM 5619 C CB . ILE B 1 98 ? 14.119 45.010 -5.396 1.00 22.34 ? 180 ILE B CB 1 ATOM 5620 C CG1 . ILE B 1 98 ? 14.844 46.077 -6.217 1.00 19.66 ? 180 ILE B CG1 1 ATOM 5621 C CG2 . ILE B 1 98 ? 12.618 45.048 -5.663 1.00 14.67 ? 180 ILE B CG2 1 ATOM 5622 C CD1 . ILE B 1 98 ? 14.606 45.956 -7.704 1.00 20.07 ? 180 ILE B CD1 1 ATOM 5623 N N . ASP B 1 99 ? 13.971 44.007 -1.824 1.00 31.41 ? 181 ASP B N 1 ATOM 5624 C CA . ASP B 1 99 ? 13.650 42.857 -0.985 1.00 36.91 ? 181 ASP B CA 1 ATOM 5625 C C . ASP B 1 99 ? 12.216 42.399 -1.221 1.00 31.95 ? 181 ASP B C 1 ATOM 5626 O O . ASP B 1 99 ? 11.931 41.201 -1.250 1.00 28.84 ? 181 ASP B O 1 ATOM 5627 C CB . ASP B 1 99 ? 13.854 43.206 0.489 1.00 50.67 ? 181 ASP B CB 1 ATOM 5628 C CG . ASP B 1 99 ? 15.253 43.713 0.779 1.00 52.67 ? 181 ASP B CG 1 ATOM 5629 O OD1 . ASP B 1 99 ? 16.198 43.295 0.077 1.00 36.08 ? 181 ASP B OD1 1 ATOM 5630 O OD2 . ASP B 1 99 ? 15.405 44.534 1.710 1.00 58.58 ? 181 ASP B OD2 1 ATOM 5631 N N . THR B 1 100 ? 11.318 43.364 -1.386 1.00 37.67 ? 182 THR B N 1 ATOM 5632 C CA . THR B 1 100 ? 9.922 43.081 -1.685 1.00 36.34 ? 182 THR B CA 1 ATOM 5633 C C . THR B 1 100 ? 9.552 43.773 -2.992 1.00 34.47 ? 182 THR B C 1 ATOM 5634 O O . THR B 1 100 ? 9.790 44.971 -3.149 1.00 35.14 ? 182 THR B O 1 ATOM 5635 C CB . THR B 1 100 ? 8.993 43.568 -0.553 1.00 39.65 ? 182 THR B CB 1 ATOM 5636 O OG1 . THR B 1 100 ? 9.426 43.015 0.696 1.00 41.66 ? 182 THR B OG1 1 ATOM 5637 C CG2 . THR B 1 100 ? 7.554 43.150 -0.811 1.00 43.89 ? 182 THR B CG2 1 ATOM 5638 N N . PRO B 1 101 ? 8.971 43.019 -3.939 1.00 29.55 ? 183 PRO B N 1 ATOM 5639 C CA . PRO B 1 101 ? 8.608 43.561 -5.253 1.00 24.29 ? 183 PRO B CA 1 ATOM 5640 C C . PRO B 1 101 ? 7.610 44.714 -5.175 1.00 31.11 ? 183 PRO B C 1 ATOM 5641 O O . PRO B 1 101 ? 6.532 44.562 -4.600 1.00 51.78 ? 183 PRO B O 1 ATOM 5642 C CB . PRO B 1 101 ? 7.976 42.359 -5.968 1.00 21.50 ? 183 PRO B CB 1 ATOM 5643 C CG . PRO B 1 101 ? 7.583 41.418 -4.880 1.00 29.53 ? 183 PRO B CG 1 ATOM 5644 C CD . PRO B 1 101 ? 8.625 41.593 -3.820 1.00 31.06 ? 183 PRO B CD 1 ATOM 5645 N N . GLU B 1 102 ? 7.975 45.853 -5.756 1.00 33.78 ? 184 GLU B N 1 ATOM 5646 C CA . GLU B 1 102 ? 7.082 47.004 -5.812 1.00 36.74 ? 184 GLU B CA 1 ATOM 5647 C C . GLU B 1 102 ? 6.355 47.003 -7.151 1.00 37.36 ? 184 GLU B C 1 ATOM 5648 O O . GLU B 1 102 ? 6.784 47.638 -8.115 1.00 35.36 ? 184 GLU B O 1 ATOM 5649 C CB . GLU B 1 102 ? 7.863 48.305 -5.628 1.00 35.69 ? 184 GLU B CB 1 ATOM 5650 C CG . GLU B 1 102 ? 8.565 48.411 -4.280 1.00 54.46 ? 184 GLU B CG 1 ATOM 5651 C CD . GLU B 1 102 ? 9.321 49.715 -4.108 1.00 65.55 ? 184 GLU B CD 1 ATOM 5652 O OE1 . GLU B 1 102 ? 8.968 50.703 -4.785 1.00 64.25 ? 184 GLU B OE1 1 ATOM 5653 O OE2 . GLU B 1 102 ? 10.271 49.749 -3.296 1.00 67.76 ? 184 GLU B OE2 1 ATOM 5654 N N . CYS B 1 103 ? 5.243 46.277 -7.180 1.00 48.50 ? 185 CYS B N 1 ATOM 5655 C CA . CYS B 1 103 ? 4.428 46.080 -8.374 1.00 55.81 ? 185 CYS B CA 1 ATOM 5656 C C . CYS B 1 103 ? 3.190 46.971 -8.370 1.00 64.49 ? 185 CYS B C 1 ATOM 5657 O O . CYS B 1 103 ? 2.578 47.180 -7.323 1.00 68.98 ? 185 CYS B O 1 ATOM 5658 C CB . CYS B 1 103 ? 4.010 44.615 -8.499 1.00 49.83 ? 185 CYS B CB 1 ATOM 5659 S SG . CYS B 1 103 ? 5.392 43.454 -8.573 1.00 75.94 ? 185 CYS B SG 1 ATOM 5660 N N . PRO B 1 104 ? 2.824 47.511 -9.544 1.00 68.70 ? 186 PRO B N 1 ATOM 5661 C CA . PRO B 1 104 ? 1.593 48.297 -9.698 1.00 77.07 ? 186 PRO B CA 1 ATOM 5662 C C . PRO B 1 104 ? 0.351 47.472 -9.351 1.00 77.85 ? 186 PRO B C 1 ATOM 5663 O O . PRO B 1 104 ? 0.429 46.247 -9.250 1.00 79.08 ? 186 PRO B O 1 ATOM 5664 C CB . PRO B 1 104 ? 1.585 48.644 -11.191 1.00 76.36 ? 186 PRO B CB 1 ATOM 5665 C CG . PRO B 1 104 ? 3.010 48.553 -11.612 1.00 69.99 ? 186 PRO B CG 1 ATOM 5666 C CD . PRO B 1 104 ? 3.595 47.443 -10.797 1.00 66.72 ? 186 PRO B CD 1 ATOM 5667 N N . ALA B 1 105 ? -0.780 48.149 -9.175 1.00 79.87 ? 187 ALA B N 1 ATOM 5668 C CA . ALA B 1 105 ? -2.047 47.496 -8.838 1.00 80.71 ? 187 ALA B CA 1 ATOM 5669 C C . ALA B 1 105 ? -2.547 46.499 -9.883 1.00 74.75 ? 187 ALA B C 1 ATOM 5670 O O . ALA B 1 105 ? -3.266 45.557 -9.549 1.00 76.23 ? 187 ALA B O 1 ATOM 5671 C CB . ALA B 1 105 ? -3.115 48.555 -8.586 1.00 88.05 ? 187 ALA B CB 1 ATOM 5672 N N . GLU B 1 106 ? -2.167 46.701 -11.138 1.00 66.19 ? 188 GLU B N 1 ATOM 5673 C CA . GLU B 1 106 ? -2.629 45.845 -12.227 1.00 65.25 ? 188 GLU B CA 1 ATOM 5674 C C . GLU B 1 106 ? -1.727 44.623 -12.376 1.00 64.47 ? 188 GLU B C 1 ATOM 5675 O O . GLU B 1 106 ? -1.982 43.736 -13.189 1.00 62.17 ? 188 GLU B O 1 ATOM 5676 C CB . GLU B 1 106 ? -2.739 46.618 -13.543 1.00 63.66 ? 188 GLU B CB 1 ATOM 5677 N N . PHE B 1 107 ? -0.667 44.600 -11.575 1.00 65.38 ? 189 PHE B N 1 ATOM 5678 C CA . PHE B 1 107 ? 0.281 43.492 -11.537 1.00 63.36 ? 189 PHE B CA 1 ATOM 5679 C C . PHE B 1 107 ? 0.203 42.703 -10.227 1.00 51.67 ? 189 PHE B C 1 ATOM 5680 O O . PHE B 1 107 ? 0.273 43.284 -9.144 1.00 47.82 ? 189 PHE B O 1 ATOM 5681 C CB . PHE B 1 107 ? 1.700 44.027 -11.724 1.00 68.01 ? 189 PHE B CB 1 ATOM 5682 C CG . PHE B 1 107 ? 2.041 44.337 -13.154 1.00 74.41 ? 189 PHE B CG 1 ATOM 5683 C CD1 . PHE B 1 107 ? 1.886 45.625 -13.643 1.00 73.79 ? 189 PHE B CD1 1 ATOM 5684 C CD2 . PHE B 1 107 ? 2.512 43.354 -14.006 1.00 76.08 ? 189 PHE B CD2 1 ATOM 5685 C CE1 . PHE B 1 107 ? 2.187 45.927 -14.956 1.00 71.10 ? 189 PHE B CE1 1 ATOM 5686 C CE2 . PHE B 1 107 ? 2.820 43.651 -15.321 1.00 73.67 ? 189 PHE B CE2 1 ATOM 5687 C CZ . PHE B 1 107 ? 2.658 44.939 -15.796 1.00 71.87 ? 189 PHE B CZ 1 ATOM 5688 N N . GLU B 1 108 ? 0.055 41.384 -10.329 1.00 48.04 ? 190 GLU B N 1 ATOM 5689 C CA . GLU B 1 108 ? -0.041 40.531 -9.145 1.00 56.44 ? 190 GLU B CA 1 ATOM 5690 C C . GLU B 1 108 ? 1.307 39.922 -8.773 1.00 63.41 ? 190 GLU B C 1 ATOM 5691 O O . GLU B 1 108 ? 1.593 39.709 -7.595 1.00 72.18 ? 190 GLU B O 1 ATOM 5692 C CB . GLU B 1 108 ? -1.068 39.417 -9.369 1.00 64.81 ? 190 GLU B CB 1 ATOM 5693 C CG . GLU B 1 108 ? -1.414 38.644 -8.103 1.00 77.64 ? 190 GLU B CG 1 ATOM 5694 C CD . GLU B 1 108 ? -2.439 37.551 -8.336 1.00 96.34 ? 190 GLU B CD 1 ATOM 5695 O OE1 . GLU B 1 108 ? -2.724 37.242 -9.512 1.00 98.41 ? 190 GLU B OE1 1 ATOM 5696 O OE2 . GLU B 1 108 ? -2.952 36.994 -7.341 1.00 104.39 ? 190 GLU B OE2 1 ATOM 5697 N N . SER B 1 109 ? 2.134 39.651 -9.774 1.00 64.80 ? 191 SER B N 1 ATOM 5698 C CA . SER B 1 109 ? 3.455 39.085 -9.535 1.00 65.05 ? 191 SER B CA 1 ATOM 5699 C C . SER B 1 109 ? 4.409 39.534 -10.632 1.00 65.22 ? 191 SER B C 1 ATOM 5700 O O . SER B 1 109 ? 3.999 39.699 -11.781 1.00 72.52 ? 191 SER B O 1 ATOM 5701 C CB . SER B 1 109 ? 3.387 37.556 -9.463 1.00 68.48 ? 191 SER B CB 1 ATOM 5702 O OG . SER B 1 109 ? 2.834 37.009 -10.648 1.00 75.25 ? 191 SER B OG 1 ATOM 5703 N N . PRO B 1 110 ? 5.688 39.740 -10.280 1.00 50.22 ? 192 PRO B N 1 ATOM 5704 C CA . PRO B 1 110 ? 6.675 40.205 -11.259 1.00 40.57 ? 192 PRO B CA 1 ATOM 5705 C C . PRO B 1 110 ? 6.839 39.248 -12.435 1.00 49.69 ? 192 PRO B C 1 ATOM 5706 O O . PRO B 1 110 ? 7.083 38.058 -12.226 1.00 51.46 ? 192 PRO B O 1 ATOM 5707 C CB . PRO B 1 110 ? 7.974 40.248 -10.447 1.00 23.90 ? 192 PRO B CB 1 ATOM 5708 C CG . PRO B 1 110 ? 7.536 40.392 -9.038 1.00 29.49 ? 192 PRO B CG 1 ATOM 5709 C CD . PRO B 1 110 ? 6.267 39.608 -8.934 1.00 39.31 ? 192 PRO B CD 1 ATOM 5710 N N . PRO B 1 111 ? 6.702 39.765 -13.665 1.00 45.23 ? 193 PRO B N 1 ATOM 5711 C CA . PRO B 1 111 ? 6.915 38.975 -14.881 1.00 44.73 ? 193 PRO B CA 1 ATOM 5712 C C . PRO B 1 111 ? 8.391 38.637 -15.046 1.00 40.72 ? 193 PRO B C 1 ATOM 5713 O O . PRO B 1 111 ? 9.230 39.168 -14.318 1.00 36.46 ? 193 PRO B O 1 ATOM 5714 C CB . PRO B 1 111 ? 6.465 39.921 -16.001 1.00 48.59 ? 193 PRO B CB 1 ATOM 5715 C CG . PRO B 1 111 ? 5.619 40.953 -15.327 1.00 45.96 ? 193 PRO B CG 1 ATOM 5716 C CD . PRO B 1 111 ? 6.215 41.119 -13.972 1.00 40.17 ? 193 PRO B CD 1 ATOM 5717 N N . THR B 1 112 ? 8.703 37.762 -15.995 1.00 39.56 ? 194 THR B N 1 ATOM 5718 C CA . THR B 1 112 ? 10.087 37.374 -16.237 1.00 38.96 ? 194 THR B CA 1 ATOM 5719 C C . THR B 1 112 ? 10.466 37.581 -17.698 1.00 44.75 ? 194 THR B C 1 ATOM 5720 O O . THR B 1 112 ? 9.898 36.955 -18.591 1.00 57.76 ? 194 THR B O 1 ATOM 5721 C CB . THR B 1 112 ? 10.342 35.910 -15.842 1.00 34.26 ? 194 THR B CB 1 ATOM 5722 O OG1 . THR B 1 112 ? 10.052 35.729 -14.450 1.00 40.02 ? 194 THR B OG1 1 ATOM 5723 C CG2 . THR B 1 112 ? 11.792 35.536 -16.105 1.00 36.03 ? 194 THR B CG2 1 ATOM 5724 N N . LEU B 1 113 ? 11.431 38.463 -17.934 1.00 37.97 ? 195 LEU B N 1 ATOM 5725 C CA . LEU B 1 113 ? 11.896 38.738 -19.286 1.00 33.39 ? 195 LEU B CA 1 ATOM 5726 C C . LEU B 1 113 ? 13.248 38.081 -19.539 1.00 36.04 ? 195 LEU B C 1 ATOM 5727 O O . LEU B 1 113 ? 14.189 38.251 -18.764 1.00 30.40 ? 195 LEU B O 1 ATOM 5728 C CB . LEU B 1 113 ? 11.980 40.246 -19.533 1.00 30.68 ? 195 LEU B CB 1 ATOM 5729 C CG . LEU B 1 113 ? 12.736 40.731 -20.773 1.00 35.09 ? 195 LEU B CG 1 ATOM 5730 C CD1 . LEU B 1 113 ? 12.138 40.167 -22.054 1.00 39.02 ? 195 LEU B CD1 1 ATOM 5731 C CD2 . LEU B 1 113 ? 12.752 42.248 -20.816 1.00 38.82 ? 195 LEU B CD2 1 ATOM 5732 N N . LEU B 1 114 ? 13.333 37.330 -20.631 1.00 36.51 ? 196 LEU B N 1 ATOM 5733 C CA . LEU B 1 114 ? 14.581 36.697 -21.034 1.00 29.56 ? 196 LEU B CA 1 ATOM 5734 C C . LEU B 1 114 ? 15.196 37.465 -22.199 1.00 31.68 ? 196 LEU B C 1 ATOM 5735 O O . LEU B 1 114 ? 14.783 37.311 -23.346 1.00 42.58 ? 196 LEU B O 1 ATOM 5736 C CB . LEU B 1 114 ? 14.347 35.232 -21.404 1.00 22.56 ? 196 LEU B CB 1 ATOM 5737 C CG . LEU B 1 114 ? 15.552 34.432 -21.896 1.00 25.08 ? 196 LEU B CG 1 ATOM 5738 C CD1 . LEU B 1 114 ? 16.706 34.563 -20.919 1.00 19.56 ? 196 LEU B CD1 1 ATOM 5739 C CD2 . LEU B 1 114 ? 15.170 32.973 -22.061 1.00 16.06 ? 196 LEU B CD2 1 ATOM 5740 N N . PHE B 1 115 ? 16.190 38.292 -21.892 1.00 25.20 ? 197 PHE B N 1 ATOM 5741 C CA . PHE B 1 115 ? 16.834 39.136 -22.893 1.00 16.60 ? 197 PHE B CA 1 ATOM 5742 C C . PHE B 1 115 ? 18.123 38.489 -23.394 1.00 35.42 ? 197 PHE B C 1 ATOM 5743 O O . PHE B 1 115 ? 19.059 38.273 -22.623 1.00 42.36 ? 197 PHE B O 1 ATOM 5744 C CB . PHE B 1 115 ? 17.130 40.508 -22.276 1.00 43.83 ? 197 PHE B CB 1 ATOM 5745 C CG . PHE B 1 115 ? 17.280 41.623 -23.279 1.00 42.79 ? 197 PHE B CG 1 ATOM 5746 C CD1 . PHE B 1 115 ? 17.610 41.367 -24.600 1.00 31.89 ? 197 PHE B CD1 1 ATOM 5747 C CD2 . PHE B 1 115 ? 17.104 42.939 -22.886 1.00 45.39 ? 197 PHE B CD2 1 ATOM 5748 C CE1 . PHE B 1 115 ? 17.748 42.400 -25.507 1.00 18.38 ? 197 PHE B CE1 1 ATOM 5749 C CE2 . PHE B 1 115 ? 17.242 43.975 -23.789 1.00 40.16 ? 197 PHE B CE2 1 ATOM 5750 C CZ . PHE B 1 115 ? 17.565 43.705 -25.100 1.00 18.70 ? 197 PHE B CZ 1 ATOM 5751 N N . SER B 1 116 ? 18.165 38.181 -24.688 1.00 26.70 ? 198 SER B N 1 ATOM 5752 C CA . SER B 1 116 ? 19.337 37.539 -25.275 1.00 24.73 ? 198 SER B CA 1 ATOM 5753 C C . SER B 1 116 ? 20.109 38.467 -26.211 1.00 24.74 ? 198 SER B C 1 ATOM 5754 O O . SER B 1 116 ? 19.523 39.188 -27.018 1.00 19.98 ? 198 SER B O 1 ATOM 5755 C CB . SER B 1 116 ? 18.942 36.268 -26.029 1.00 16.27 ? 198 SER B CB 1 ATOM 5756 O OG . SER B 1 116 ? 20.068 35.683 -26.664 1.00 20.27 ? 198 SER B OG 1 ATOM 5757 N N . LEU B 1 117 ? 21.432 38.429 -26.094 1.00 15.21 ? 199 LEU B N 1 ATOM 5758 C CA . LEU B 1 117 ? 22.327 39.180 -26.967 1.00 43.41 ? 199 LEU B CA 1 ATOM 5759 C C . LEU B 1 117 ? 23.273 38.198 -27.646 1.00 37.99 ? 199 LEU B C 1 ATOM 5760 O O . LEU B 1 117 ? 24.277 37.797 -27.060 1.00 44.41 ? 199 LEU B O 1 ATOM 5761 C CB . LEU B 1 117 ? 23.128 40.200 -26.158 1.00 14.74 ? 199 LEU B CB 1 ATOM 5762 C CG . LEU B 1 117 ? 22.330 41.032 -25.151 1.00 21.34 ? 199 LEU B CG 1 ATOM 5763 C CD1 . LEU B 1 117 ? 23.241 41.973 -24.381 1.00 26.72 ? 199 LEU B CD1 1 ATOM 5764 C CD2 . LEU B 1 117 ? 21.221 41.804 -25.845 1.00 16.12 ? 199 LEU B CD2 1 ATOM 5765 N N . ASP B 1 118 ? 22.951 37.810 -28.877 1.00 34.71 ? 200 ASP B N 1 ATOM 5766 C CA . ASP B 1 118 ? 23.703 36.768 -29.570 1.00 31.12 ? 200 ASP B CA 1 ATOM 5767 C C . ASP B 1 118 ? 25.181 37.108 -29.725 1.00 28.31 ? 200 ASP B C 1 ATOM 5768 O O . ASP B 1 118 ? 25.543 38.217 -30.113 1.00 27.59 ? 200 ASP B O 1 ATOM 5769 C CB . ASP B 1 118 ? 23.085 36.496 -30.945 1.00 16.84 ? 200 ASP B CB 1 ATOM 5770 C CG . ASP B 1 118 ? 23.514 35.161 -31.528 1.00 40.48 ? 200 ASP B CG 1 ATOM 5771 O OD1 . ASP B 1 118 ? 24.685 34.766 -31.345 1.00 15.89 ? 200 ASP B OD1 1 ATOM 5772 O OD2 . ASP B 1 118 ? 22.674 34.501 -32.172 1.00 41.57 ? 200 ASP B OD2 1 ATOM 5773 N N . GLY B 1 119 ? 26.025 36.128 -29.417 1.00 33.86 ? 201 GLY B N 1 ATOM 5774 C CA . GLY B 1 119 ? 27.459 36.238 -29.599 1.00 43.10 ? 201 GLY B CA 1 ATOM 5775 C C . GLY B 1 119 ? 28.150 37.101 -28.562 1.00 45.30 ? 201 GLY B C 1 ATOM 5776 O O . GLY B 1 119 ? 29.261 37.580 -28.793 1.00 51.14 ? 201 GLY B O 1 ATOM 5777 N N . PHE B 1 120 ? 27.500 37.305 -27.420 1.00 39.15 ? 202 PHE B N 1 ATOM 5778 C CA . PHE B 1 120 ? 28.100 38.097 -26.354 1.00 28.68 ? 202 PHE B CA 1 ATOM 5779 C C . PHE B 1 120 ? 28.991 37.210 -25.497 1.00 27.94 ? 202 PHE B C 1 ATOM 5780 O O . PHE B 1 120 ? 28.538 36.646 -24.498 1.00 30.79 ? 202 PHE B O 1 ATOM 5781 C CB . PHE B 1 120 ? 27.015 38.742 -25.487 1.00 14.09 ? 202 PHE B CB 1 ATOM 5782 C CG . PHE B 1 120 ? 27.493 39.913 -24.670 1.00 13.56 ? 202 PHE B CG 1 ATOM 5783 C CD1 . PHE B 1 120 ? 28.341 39.731 -23.589 1.00 10.87 ? 202 PHE B CD1 1 ATOM 5784 C CD2 . PHE B 1 120 ? 27.069 41.197 -24.971 1.00 24.43 ? 202 PHE B CD2 1 ATOM 5785 C CE1 . PHE B 1 120 ? 28.771 40.808 -22.837 1.00 16.15 ? 202 PHE B CE1 1 ATOM 5786 C CE2 . PHE B 1 120 ? 27.492 42.278 -24.218 1.00 31.62 ? 202 PHE B CE2 1 ATOM 5787 C CZ . PHE B 1 120 ? 28.346 42.082 -23.151 1.00 29.68 ? 202 PHE B CZ 1 ATOM 5788 N N . ARG B 1 121 ? 30.254 37.083 -25.893 1.00 23.49 ? 203 ARG B N 1 ATOM 5789 C CA . ARG B 1 121 ? 31.218 36.280 -25.148 1.00 26.88 ? 203 ARG B CA 1 ATOM 5790 C C . ARG B 1 121 ? 31.469 36.922 -23.787 1.00 24.86 ? 203 ARG B C 1 ATOM 5791 O O . ARG B 1 121 ? 31.425 38.144 -23.650 1.00 28.11 ? 203 ARG B O 1 ATOM 5792 C CB . ARG B 1 121 ? 32.520 36.112 -25.939 1.00 23.08 ? 203 ARG B CB 1 ATOM 5793 C CG . ARG B 1 121 ? 33.515 37.245 -25.898 1.00 23.60 ? 203 ARG B CG 1 ATOM 5794 C CD . ARG B 1 121 ? 34.719 36.843 -26.740 1.00 22.65 ? 203 ARG B CD 1 ATOM 5795 N NE . ARG B 1 121 ? 35.869 37.727 -26.580 1.00 25.71 ? 203 ARG B NE 1 ATOM 5796 C CZ . ARG B 1 121 ? 37.062 37.491 -27.118 1.00 23.56 ? 203 ARG B CZ 1 ATOM 5797 N NH1 . ARG B 1 121 ? 37.258 36.397 -27.842 1.00 16.33 ? 203 ARG B NH1 1 ATOM 5798 N NH2 . ARG B 1 121 ? 38.060 38.341 -26.927 1.00 30.43 ? 203 ARG B NH2 1 ATOM 5799 N N . ALA B 1 122 ? 31.711 36.087 -22.782 1.00 13.35 ? 204 ALA B N 1 ATOM 5800 C CA . ALA B 1 122 ? 31.851 36.543 -21.402 1.00 21.08 ? 204 ALA B CA 1 ATOM 5801 C C . ALA B 1 122 ? 33.025 37.502 -21.217 1.00 25.45 ? 204 ALA B C 1 ATOM 5802 O O . ALA B 1 122 ? 32.991 38.365 -20.340 1.00 29.40 ? 204 ALA B O 1 ATOM 5803 C CB . ALA B 1 122 ? 31.979 35.354 -20.462 1.00 17.34 ? 204 ALA B CB 1 ATOM 5804 N N . GLU B 1 123 ? 34.057 37.351 -22.041 1.00 15.86 ? 205 GLU B N 1 ATOM 5805 C CA . GLU B 1 123 ? 35.235 38.208 -21.950 1.00 19.63 ? 205 GLU B CA 1 ATOM 5806 C C . GLU B 1 123 ? 34.898 39.667 -22.268 1.00 25.24 ? 205 GLU B C 1 ATOM 5807 O O . GLU B 1 123 ? 35.597 40.581 -21.825 1.00 26.53 ? 205 GLU B O 1 ATOM 5808 C CB . GLU B 1 123 ? 36.341 37.693 -22.877 1.00 29.64 ? 205 GLU B CB 1 ATOM 5809 C CG . GLU B 1 123 ? 37.652 38.465 -22.811 1.00 39.75 ? 205 GLU B CG 1 ATOM 5810 C CD . GLU B 1 123 ? 37.717 39.602 -23.816 1.00 50.02 ? 205 GLU B CD 1 ATOM 5811 O OE1 . GLU B 1 123 ? 36.854 39.648 -24.719 1.00 46.23 ? 205 GLU B OE1 1 ATOM 5812 O OE2 . GLU B 1 123 ? 38.629 40.449 -23.703 1.00 57.28 ? 205 GLU B OE2 1 ATOM 5813 N N . TYR B 1 124 ? 33.824 39.882 -23.025 1.00 29.92 ? 206 TYR B N 1 ATOM 5814 C CA . TYR B 1 124 ? 33.389 41.231 -23.387 1.00 39.66 ? 206 TYR B CA 1 ATOM 5815 C C . TYR B 1 124 ? 33.134 42.091 -22.156 1.00 37.02 ? 206 TYR B C 1 ATOM 5816 O O . TYR B 1 124 ? 33.651 43.203 -22.047 1.00 29.32 ? 206 TYR B O 1 ATOM 5817 C CB . TYR B 1 124 ? 32.135 41.189 -24.264 1.00 43.69 ? 206 TYR B CB 1 ATOM 5818 C CG . TYR B 1 124 ? 32.388 40.711 -25.675 1.00 40.42 ? 206 TYR B CG 1 ATOM 5819 C CD1 . TYR B 1 124 ? 33.649 40.822 -26.249 1.00 45.90 ? 206 TYR B CD1 1 ATOM 5820 C CD2 . TYR B 1 124 ? 31.368 40.157 -26.436 1.00 43.12 ? 206 TYR B CD2 1 ATOM 5821 C CE1 . TYR B 1 124 ? 33.887 40.391 -27.539 1.00 53.27 ? 206 TYR B CE1 1 ATOM 5822 C CE2 . TYR B 1 124 ? 31.596 39.722 -27.728 1.00 55.23 ? 206 TYR B CE2 1 ATOM 5823 C CZ . TYR B 1 124 ? 32.858 39.841 -28.274 1.00 61.45 ? 206 TYR B CZ 1 ATOM 5824 O OH . TYR B 1 124 ? 33.092 39.411 -29.559 1.00 69.46 ? 206 TYR B OH 1 ATOM 5825 N N . LEU B 1 125 ? 32.328 41.576 -21.233 1.00 33.18 ? 207 LEU B N 1 ATOM 5826 C CA . LEU B 1 125 ? 32.004 42.316 -20.021 1.00 21.17 ? 207 LEU B CA 1 ATOM 5827 C C . LEU B 1 125 ? 33.214 42.391 -19.094 1.00 23.03 ? 207 LEU B C 1 ATOM 5828 O O . LEU B 1 125 ? 33.361 43.351 -18.336 1.00 22.49 ? 207 LEU B O 1 ATOM 5829 C CB . LEU B 1 125 ? 30.803 41.697 -19.302 1.00 12.57 ? 207 LEU B CB 1 ATOM 5830 C CG . LEU B 1 125 ? 30.229 42.500 -18.134 1.00 18.89 ? 207 LEU B CG 1 ATOM 5831 C CD1 . LEU B 1 125 ? 29.951 43.932 -18.560 1.00 23.98 ? 207 LEU B CD1 1 ATOM 5832 C CD2 . LEU B 1 125 ? 28.957 41.848 -17.618 1.00 16.35 ? 207 LEU B CD2 1 ATOM 5833 N N . HIS B 1 126 ? 34.073 41.376 -19.152 1.00 28.88 ? 208 HIS B N 1 ATOM 5834 C CA . HIS B 1 126 ? 35.294 41.374 -18.354 1.00 25.97 ? 208 HIS B CA 1 ATOM 5835 C C . HIS B 1 126 ? 36.185 42.543 -18.760 1.00 29.00 ? 208 HIS B C 1 ATOM 5836 O O . HIS B 1 126 ? 36.706 43.262 -17.909 1.00 30.40 ? 208 HIS B O 1 ATOM 5837 C CB . HIS B 1 126 ? 36.078 40.073 -18.547 1.00 26.56 ? 208 HIS B CB 1 ATOM 5838 C CG . HIS B 1 126 ? 35.329 38.840 -18.144 1.00 37.00 ? 208 HIS B CG 1 ATOM 5839 N ND1 . HIS B 1 126 ? 35.823 37.571 -18.355 1.00 28.81 ? 208 HIS B ND1 1 ATOM 5840 C CD2 . HIS B 1 126 ? 34.133 38.681 -17.530 1.00 46.91 ? 208 HIS B CD2 1 ATOM 5841 C CE1 . HIS B 1 126 ? 34.958 36.683 -17.899 1.00 26.22 ? 208 HIS B CE1 1 ATOM 5842 N NE2 . HIS B 1 126 ? 33.924 37.330 -17.393 1.00 43.75 ? 208 HIS B NE2 1 ATOM 5843 N N . THR B 1 127 ? 36.355 42.727 -20.066 1.00 28.88 ? 209 THR B N 1 ATOM 5844 C CA . THR B 1 127 ? 37.287 43.725 -20.573 1.00 22.31 ? 209 THR B CA 1 ATOM 5845 C C . THR B 1 127 ? 36.629 45.084 -20.810 1.00 27.11 ? 209 THR B C 1 ATOM 5846 O O . THR B 1 127 ? 37.152 46.116 -20.390 1.00 36.86 ? 209 THR B O 1 ATOM 5847 C CB . THR B 1 127 ? 37.938 43.256 -21.889 1.00 28.46 ? 209 THR B CB 1 ATOM 5848 O OG1 . THR B 1 127 ? 38.558 41.980 -21.688 1.00 27.09 ? 209 THR B OG1 1 ATOM 5849 C CG2 . THR B 1 127 ? 38.983 44.259 -22.358 1.00 9.03 ? 209 THR B CG2 1 ATOM 5850 N N . TRP B 1 128 ? 35.479 45.077 -21.477 1.00 28.07 ? 210 TRP B N 1 ATOM 5851 C CA . TRP B 1 128 ? 34.815 46.321 -21.861 1.00 32.73 ? 210 TRP B CA 1 ATOM 5852 C C . TRP B 1 128 ? 33.660 46.702 -20.938 1.00 44.61 ? 210 TRP B C 1 ATOM 5853 O O . TRP B 1 128 ? 32.640 47.223 -21.390 1.00 37.57 ? 210 TRP B O 1 ATOM 5854 C CB . TRP B 1 128 ? 34.327 46.230 -23.308 1.00 22.92 ? 210 TRP B CB 1 ATOM 5855 C CG . TRP B 1 128 ? 35.354 45.630 -24.226 1.00 29.53 ? 210 TRP B CG 1 ATOM 5856 C CD1 . TRP B 1 128 ? 35.235 44.485 -24.961 1.00 30.06 ? 210 TRP B CD1 1 ATOM 5857 C CD2 . TRP B 1 128 ? 36.663 46.146 -24.498 1.00 32.31 ? 210 TRP B CD2 1 ATOM 5858 N NE1 . TRP B 1 128 ? 36.388 44.258 -25.674 1.00 29.39 ? 210 TRP B NE1 1 ATOM 5859 C CE2 . TRP B 1 128 ? 37.280 45.264 -25.408 1.00 29.94 ? 210 TRP B CE2 1 ATOM 5860 C CE3 . TRP B 1 128 ? 37.373 47.270 -24.063 1.00 31.59 ? 210 TRP B CE3 1 ATOM 5861 C CZ2 . TRP B 1 128 ? 38.571 45.470 -25.888 1.00 36.51 ? 210 TRP B CZ2 1 ATOM 5862 C CZ3 . TRP B 1 128 ? 38.654 47.471 -24.542 1.00 32.31 ? 210 TRP B CZ3 1 ATOM 5863 C CH2 . TRP B 1 128 ? 39.240 46.577 -25.444 1.00 36.69 ? 210 TRP B CH2 1 ATOM 5864 N N . GLY B 1 129 ? 33.825 46.441 -19.646 1.00 50.19 ? 211 GLY B N 1 ATOM 5865 C CA . GLY B 1 129 ? 32.811 46.769 -18.662 1.00 47.72 ? 211 GLY B CA 1 ATOM 5866 C C . GLY B 1 129 ? 32.638 48.267 -18.492 1.00 42.51 ? 211 GLY B C 1 ATOM 5867 O O . GLY B 1 129 ? 31.533 48.755 -18.254 1.00 32.40 ? 211 GLY B O 1 ATOM 5868 N N . GLY B 1 130 ? 33.743 48.996 -18.616 1.00 47.91 ? 212 GLY B N 1 ATOM 5869 C CA . GLY B 1 130 ? 33.753 50.439 -18.445 1.00 54.82 ? 212 GLY B CA 1 ATOM 5870 C C . GLY B 1 130 ? 33.105 51.190 -19.592 1.00 60.72 ? 212 GLY B C 1 ATOM 5871 O O . GLY B 1 130 ? 32.810 52.380 -19.482 1.00 62.84 ? 212 GLY B O 1 ATOM 5872 N N . LEU B 1 131 ? 32.874 50.488 -20.695 1.00 55.61 ? 213 LEU B N 1 ATOM 5873 C CA . LEU B 1 131 ? 32.242 51.075 -21.870 1.00 42.44 ? 213 LEU B CA 1 ATOM 5874 C C . LEU B 1 131 ? 30.761 50.723 -21.891 1.00 39.46 ? 213 LEU B C 1 ATOM 5875 O O . LEU B 1 131 ? 30.004 51.219 -22.726 1.00 42.43 ? 213 LEU B O 1 ATOM 5876 C CB . LEU B 1 131 ? 32.920 50.586 -23.151 1.00 31.92 ? 213 LEU B CB 1 ATOM 5877 C CG . LEU B 1 131 ? 34.425 50.845 -23.238 1.00 31.22 ? 213 LEU B CG 1 ATOM 5878 C CD1 . LEU B 1 131 ? 34.999 50.275 -24.526 1.00 38.57 ? 213 LEU B CD1 1 ATOM 5879 C CD2 . LEU B 1 131 ? 34.720 52.334 -23.127 1.00 17.46 ? 213 LEU B CD2 1 ATOM 5880 N N . LEU B 1 132 ? 30.356 49.860 -20.965 1.00 34.33 ? 214 LEU B N 1 ATOM 5881 C CA . LEU B 1 132 ? 28.973 49.414 -20.876 1.00 33.96 ? 214 LEU B CA 1 ATOM 5882 C C . LEU B 1 132 ? 28.402 49.738 -19.499 1.00 37.41 ? 214 LEU B C 1 ATOM 5883 O O . LEU B 1 132 ? 28.360 48.876 -18.622 1.00 40.23 ? 214 LEU B O 1 ATOM 5884 C CB . LEU B 1 132 ? 28.879 47.912 -21.140 1.00 28.99 ? 214 LEU B CB 1 ATOM 5885 C CG . LEU B 1 132 ? 29.575 47.389 -22.397 1.00 23.14 ? 214 LEU B CG 1 ATOM 5886 C CD1 . LEU B 1 132 ? 29.375 45.885 -22.537 1.00 34.30 ? 214 LEU B CD1 1 ATOM 5887 C CD2 . LEU B 1 132 ? 29.082 48.122 -23.629 1.00 15.46 ? 214 LEU B CD2 1 ATOM 5888 N N . PRO B 1 133 ? 27.958 50.990 -19.309 1.00 32.22 ? 215 PRO B N 1 ATOM 5889 C CA . PRO B 1 133 ? 27.479 51.491 -18.015 1.00 31.41 ? 215 PRO B CA 1 ATOM 5890 C C . PRO B 1 133 ? 26.167 50.847 -17.568 1.00 28.20 ? 215 PRO B C 1 ATOM 5891 O O . PRO B 1 133 ? 25.971 50.633 -16.371 1.00 20.96 ? 215 PRO B O 1 ATOM 5892 C CB . PRO B 1 133 ? 27.277 52.987 -18.275 1.00 32.23 ? 215 PRO B CB 1 ATOM 5893 C CG . PRO B 1 133 ? 27.025 53.082 -19.736 1.00 33.65 ? 215 PRO B CG 1 ATOM 5894 C CD . PRO B 1 133 ? 27.878 52.019 -20.361 1.00 30.45 ? 215 PRO B CD 1 ATOM 5895 N N . VAL B 1 134 ? 25.282 50.550 -18.515 1.00 26.45 ? 216 VAL B N 1 ATOM 5896 C CA . VAL B 1 134 ? 23.990 49.956 -18.186 1.00 31.13 ? 216 VAL B CA 1 ATOM 5897 C C . VAL B 1 134 ? 24.122 48.505 -17.729 1.00 27.91 ? 216 VAL B C 1 ATOM 5898 O O . VAL B 1 134 ? 23.602 48.126 -16.679 1.00 27.48 ? 216 VAL B O 1 ATOM 5899 C CB . VAL B 1 134 ? 23.021 50.015 -19.383 1.00 36.28 ? 216 VAL B CB 1 ATOM 5900 C CG1 . VAL B 1 134 ? 21.722 49.298 -19.051 1.00 34.00 ? 216 VAL B CG1 1 ATOM 5901 C CG2 . VAL B 1 134 ? 22.757 51.457 -19.788 1.00 39.32 ? 216 VAL B CG2 1 ATOM 5902 N N . ILE B 1 135 ? 24.822 47.704 -18.524 1.00 33.47 ? 217 ILE B N 1 ATOM 5903 C CA . ILE B 1 135 ? 25.027 46.288 -18.228 1.00 31.32 ? 217 ILE B CA 1 ATOM 5904 C C . ILE B 1 135 ? 25.812 46.099 -16.930 1.00 27.37 ? 217 ILE B C 1 ATOM 5905 O O . ILE B 1 135 ? 25.534 45.186 -16.152 1.00 21.54 ? 217 ILE B O 1 ATOM 5906 C CB . ILE B 1 135 ? 25.756 45.574 -19.381 1.00 33.79 ? 217 ILE B CB 1 ATOM 5907 C CG1 . ILE B 1 135 ? 24.979 45.758 -20.687 1.00 30.71 ? 217 ILE B CG1 1 ATOM 5908 C CG2 . ILE B 1 135 ? 25.916 44.092 -19.078 1.00 36.81 ? 217 ILE B CG2 1 ATOM 5909 C CD1 . ILE B 1 135 ? 25.522 44.946 -21.840 1.00 38.90 ? 217 ILE B CD1 1 ATOM 5910 N N . SER B 1 136 ? 26.786 46.975 -16.700 1.00 22.82 ? 218 SER B N 1 ATOM 5911 C CA . SER B 1 136 ? 27.608 46.915 -15.495 1.00 23.71 ? 218 SER B CA 1 ATOM 5912 C C . SER B 1 136 ? 26.770 47.158 -14.243 1.00 33.23 ? 218 SER B C 1 ATOM 5913 O O . SER B 1 136 ? 27.039 46.583 -13.188 1.00 41.26 ? 218 SER B O 1 ATOM 5914 C CB . SER B 1 136 ? 28.765 47.913 -15.568 1.00 28.42 ? 218 SER B CB 1 ATOM 5915 O OG . SER B 1 136 ? 29.673 47.566 -16.599 1.00 32.06 ? 218 SER B OG 1 ATOM 5916 N N . LYS B 1 137 ? 25.766 48.022 -14.351 1.00 33.19 ? 219 LYS B N 1 ATOM 5917 C CA . LYS B 1 137 ? 24.894 48.296 -13.214 1.00 32.56 ? 219 LYS B CA 1 ATOM 5918 C C . LYS B 1 137 ? 24.035 47.068 -12.931 1.00 38.86 ? 219 LYS B C 1 ATOM 5919 O O . LYS B 1 137 ? 23.769 46.736 -11.777 1.00 49.02 ? 219 LYS B O 1 ATOM 5920 C CB . LYS B 1 137 ? 24.011 49.524 -13.434 1.00 30.28 ? 219 LYS B CB 1 ATOM 5921 C CG . LYS B 1 137 ? 23.201 49.866 -12.191 1.00 34.73 ? 219 LYS B CG 1 ATOM 5922 C CD . LYS B 1 137 ? 22.088 50.857 -12.456 1.00 37.35 ? 219 LYS B CD 1 ATOM 5923 C CE . LYS B 1 137 ? 21.170 50.938 -11.244 1.00 35.40 ? 219 LYS B CE 1 ATOM 5924 N NZ . LYS B 1 137 ? 19.981 51.805 -11.468 1.00 45.01 ? 219 LYS B NZ 1 ATOM 5925 N N . LEU B 1 138 ? 23.601 46.403 -13.997 1.00 10.74 ? 220 LEU B N 1 ATOM 5926 C CA . LEU B 1 138 ? 22.865 45.153 -13.877 1.00 26.32 ? 220 LEU B CA 1 ATOM 5927 C C . LEU B 1 138 ? 23.740 44.117 -13.181 1.00 24.21 ? 220 LEU B C 1 ATOM 5928 O O . LEU B 1 138 ? 23.242 43.276 -12.436 1.00 33.38 ? 220 LEU B O 1 ATOM 5929 C CB . LEU B 1 138 ? 22.424 44.646 -15.251 1.00 34.14 ? 220 LEU B CB 1 ATOM 5930 C CG . LEU B 1 138 ? 21.258 45.403 -15.890 1.00 38.69 ? 220 LEU B CG 1 ATOM 5931 C CD1 . LEU B 1 138 ? 20.977 44.887 -17.293 1.00 41.81 ? 220 LEU B CD1 1 ATOM 5932 C CD2 . LEU B 1 138 ? 20.012 45.306 -15.022 1.00 45.87 ? 220 LEU B CD2 1 ATOM 5933 N N . LYS B 1 139 ? 25.044 44.181 -13.435 1.00 21.00 ? 221 LYS B N 1 ATOM 5934 C CA . LYS B 1 139 ? 25.997 43.294 -12.778 1.00 22.82 ? 221 LYS B CA 1 ATOM 5935 C C . LYS B 1 139 ? 26.114 43.625 -11.298 1.00 23.47 ? 221 LYS B C 1 ATOM 5936 O O . LYS B 1 139 ? 26.048 42.743 -10.440 1.00 27.34 ? 221 LYS B O 1 ATOM 5937 C CB . LYS B 1 139 ? 27.379 43.417 -13.421 1.00 39.42 ? 221 LYS B CB 1 ATOM 5938 C CG . LYS B 1 139 ? 28.475 42.694 -12.646 1.00 47.64 ? 221 LYS B CG 1 ATOM 5939 C CD . LYS B 1 139 ? 29.841 43.339 -12.866 1.00 59.78 ? 221 LYS B CD 1 ATOM 5940 C CE . LYS B 1 139 ? 30.295 43.284 -14.312 1.00 76.99 ? 221 LYS B CE 1 ATOM 5941 N NZ . LYS B 1 139 ? 30.510 41.886 -14.753 1.00 88.24 ? 221 LYS B NZ 1 ATOM 5942 N N . ASN B 1 140 ? 26.286 44.911 -11.011 1.00 26.64 ? 222 ASN B N 1 ATOM 5943 C CA . ASN B 1 140 ? 26.519 45.381 -9.651 1.00 29.98 ? 222 ASN B CA 1 ATOM 5944 C C . ASN B 1 140 ? 25.299 45.339 -8.730 1.00 27.73 ? 222 ASN B C 1 ATOM 5945 O O . ASN B 1 140 ? 25.439 45.328 -7.507 1.00 38.11 ? 222 ASN B O 1 ATOM 5946 C CB . ASN B 1 140 ? 27.097 46.797 -9.677 1.00 36.30 ? 222 ASN B CB 1 ATOM 5947 C CG . ASN B 1 140 ? 28.466 46.856 -10.325 1.00 30.77 ? 222 ASN B CG 1 ATOM 5948 O OD1 . ASN B 1 140 ? 29.244 45.905 -10.246 1.00 27.55 ? 222 ASN B OD1 1 ATOM 5949 N ND2 . ASN B 1 140 ? 28.767 47.976 -10.973 1.00 24.80 ? 222 ASN B ND2 1 ATOM 5950 N N . CYS B 1 141 ? 24.106 45.328 -9.315 1.00 25.74 ? 223 CYS B N 1 ATOM 5951 C CA . CYS B 1 141 ? 22.880 45.310 -8.523 1.00 26.79 ? 223 CYS B CA 1 ATOM 5952 C C . CYS B 1 141 ? 22.125 43.997 -8.667 1.00 24.61 ? 223 CYS B C 1 ATOM 5953 O O . CYS B 1 141 ? 21.020 43.850 -8.145 1.00 27.37 ? 223 CYS B O 1 ATOM 5954 C CB . CYS B 1 141 ? 21.964 46.474 -8.912 1.00 31.82 ? 223 CYS B CB 1 ATOM 5955 S SG . CYS B 1 141 ? 22.568 48.101 -8.420 1.00 66.71 ? 223 CYS B SG 1 ATOM 5956 N N . GLY B 1 142 ? 22.722 43.042 -9.371 1.00 8.23 ? 224 GLY B N 1 ATOM 5957 C CA . GLY B 1 142 ? 22.072 41.768 -9.604 1.00 26.70 ? 224 GLY B CA 1 ATOM 5958 C C . GLY B 1 142 ? 22.959 40.569 -9.345 1.00 22.22 ? 224 GLY B C 1 ATOM 5959 O O . GLY B 1 142 ? 23.996 40.678 -8.691 1.00 11.28 ? 224 GLY B O 1 ATOM 5960 N N . THR B 1 143 ? 22.544 39.417 -9.863 1.00 7.31 ? 225 THR B N 1 ATOM 5961 C CA . THR B 1 143 ? 23.321 38.195 -9.734 1.00 19.72 ? 225 THR B CA 1 ATOM 5962 C C . THR B 1 143 ? 24.115 37.932 -11.008 1.00 24.57 ? 225 THR B C 1 ATOM 5963 O O . THR B 1 143 ? 23.541 37.746 -12.080 1.00 28.77 ? 225 THR B O 1 ATOM 5964 C CB . THR B 1 143 ? 22.433 36.987 -9.430 1.00 27.57 ? 225 THR B CB 1 ATOM 5965 O OG1 . THR B 1 143 ? 21.698 37.224 -8.222 1.00 34.72 ? 225 THR B OG1 1 ATOM 5966 C CG2 . THR B 1 143 ? 23.295 35.748 -9.264 1.00 34.11 ? 225 THR B CG2 1 ATOM 5967 N N . TYR B 1 144 ? 25.438 37.919 -10.881 1.00 29.48 ? 226 TYR B N 1 ATOM 5968 C CA . TYR B 1 144 ? 26.314 37.800 -12.039 1.00 27.16 ? 226 TYR B CA 1 ATOM 5969 C C . TYR B 1 144 ? 27.230 36.583 -11.941 1.00 21.28 ? 226 TYR B C 1 ATOM 5970 O O . TYR B 1 144 ? 27.536 36.111 -10.850 1.00 19.46 ? 226 TYR B O 1 ATOM 5971 C CB . TYR B 1 144 ? 27.146 39.077 -12.191 1.00 21.77 ? 226 TYR B CB 1 ATOM 5972 C CG . TYR B 1 144 ? 28.245 38.995 -13.226 1.00 17.60 ? 226 TYR B CG 1 ATOM 5973 C CD1 . TYR B 1 144 ? 27.948 38.910 -14.579 1.00 20.97 ? 226 TYR B CD1 1 ATOM 5974 C CD2 . TYR B 1 144 ? 29.581 38.983 -12.845 1.00 14.93 ? 226 TYR B CD2 1 ATOM 5975 C CE1 . TYR B 1 144 ? 28.952 38.831 -15.527 1.00 19.68 ? 226 TYR B CE1 1 ATOM 5976 C CE2 . TYR B 1 144 ? 30.592 38.902 -13.784 1.00 20.87 ? 226 TYR B CE2 1 ATOM 5977 C CZ . TYR B 1 144 ? 30.272 38.826 -15.123 1.00 18.40 ? 226 TYR B CZ 1 ATOM 5978 O OH . TYR B 1 144 ? 31.273 38.750 -16.063 1.00 12.18 ? 226 TYR B OH 1 ATOM 5979 N N . THR B 1 145 ? 27.650 36.072 -13.092 1.00 20.96 ? 227 THR B N 1 ATOM 5980 C CA . THR B 1 145 ? 28.616 34.984 -13.142 1.00 26.48 ? 227 THR B CA 1 ATOM 5981 C C . THR B 1 145 ? 29.645 35.300 -14.223 1.00 22.86 ? 227 THR B C 1 ATOM 5982 O O . THR B 1 145 ? 29.287 35.619 -15.360 1.00 22.64 ? 227 THR B O 1 ATOM 5983 C CB . THR B 1 145 ? 27.943 33.616 -13.412 1.00 29.63 ? 227 THR B CB 1 ATOM 5984 O OG1 . THR B 1 145 ? 28.951 32.616 -13.603 1.00 19.90 ? 227 THR B OG1 1 ATOM 5985 C CG2 . THR B 1 145 ? 27.056 33.662 -14.642 1.00 32.26 ? 227 THR B CG2 1 ATOM 5986 N N . LYS B 1 146 ? 30.921 35.269 -13.843 1.00 20.25 ? 228 LYS B N 1 ATOM 5987 C CA . LYS B 1 146 ? 32.021 35.537 -14.767 1.00 17.22 ? 228 LYS B CA 1 ATOM 5988 C C . LYS B 1 146 ? 31.874 34.777 -16.081 1.00 20.02 ? 228 LYS B C 1 ATOM 5989 O O . LYS B 1 146 ? 32.049 35.343 -17.161 1.00 18.22 ? 228 LYS B O 1 ATOM 5990 C CB . LYS B 1 146 ? 33.361 35.196 -14.112 1.00 12.01 ? 228 LYS B CB 1 ATOM 5991 C CG . LYS B 1 146 ? 33.905 36.291 -13.209 1.00 16.39 ? 228 LYS B CG 1 ATOM 5992 C CD . LYS B 1 146 ? 34.601 37.380 -14.010 1.00 39.94 ? 228 LYS B CD 1 ATOM 5993 C CE . LYS B 1 146 ? 34.855 38.610 -13.152 1.00 48.62 ? 228 LYS B CE 1 ATOM 5994 N NZ . LYS B 1 146 ? 34.734 39.875 -13.933 1.00 48.40 ? 228 LYS B NZ 1 ATOM 5995 N N . ASN B 1 147 ? 31.548 33.493 -15.980 1.00 15.12 ? 229 ASN B N 1 ATOM 5996 C CA . ASN B 1 147 ? 31.396 32.649 -17.156 1.00 16.81 ? 229 ASN B CA 1 ATOM 5997 C C . ASN B 1 147 ? 30.205 31.709 -17.041 1.00 23.59 ? 229 ASN B C 1 ATOM 5998 O O . ASN B 1 147 ? 30.039 31.026 -16.032 1.00 32.18 ? 229 ASN B O 1 ATOM 5999 C CB . ASN B 1 147 ? 32.670 31.840 -17.400 1.00 5.29 ? 229 ASN B CB 1 ATOM 6000 C CG . ASN B 1 147 ? 33.887 32.721 -17.595 1.00 29.83 ? 229 ASN B CG 1 ATOM 6001 O OD1 . ASN B 1 147 ? 34.607 33.017 -16.642 1.00 39.11 ? 229 ASN B OD1 1 ATOM 6002 N ND2 . ASN B 1 147 ? 34.120 33.150 -18.830 1.00 23.60 ? 229 ASN B ND2 1 HETATM 6003 N N . MSE B 1 148 ? 29.377 31.680 -18.077 1.00 21.52 ? 230 MSE B N 1 HETATM 6004 C CA . MSE B 1 148 ? 28.283 30.724 -18.141 1.00 21.08 ? 230 MSE B CA 1 HETATM 6005 C C . MSE B 1 148 ? 28.559 29.715 -19.244 1.00 23.98 ? 230 MSE B C 1 HETATM 6006 O O . MSE B 1 148 ? 28.592 30.068 -20.423 1.00 27.56 ? 230 MSE B O 1 HETATM 6007 C CB . MSE B 1 148 ? 26.960 31.428 -18.412 1.00 27.58 ? 230 MSE B CB 1 HETATM 6008 C CG . MSE B 1 148 ? 25.762 30.500 -18.343 1.00 19.64 ? 230 MSE B CG 1 HETATM 6009 SE SE . MSE B 1 148 ? 24.178 31.268 -19.170 1.00 45.39 ? 230 MSE B SE 1 HETATM 6010 C CE . MSE B 1 148 ? 22.847 30.255 -18.206 1.00 17.95 ? 230 MSE B CE 1 ATOM 6011 N N . ARG B 1 149 ? 28.756 28.461 -18.856 1.00 18.89 ? 231 ARG B N 1 ATOM 6012 C CA . ARG B 1 149 ? 29.117 27.422 -19.810 1.00 15.51 ? 231 ARG B CA 1 ATOM 6013 C C . ARG B 1 149 ? 27.929 27.022 -20.677 1.00 19.70 ? 231 ARG B C 1 ATOM 6014 O O . ARG B 1 149 ? 26.892 26.602 -20.167 1.00 21.30 ? 231 ARG B O 1 ATOM 6015 C CB . ARG B 1 149 ? 29.707 26.209 -19.083 1.00 24.54 ? 231 ARG B CB 1 ATOM 6016 C CG . ARG B 1 149 ? 30.915 26.568 -18.224 1.00 39.16 ? 231 ARG B CG 1 ATOM 6017 C CD . ARG B 1 149 ? 31.687 25.353 -17.734 1.00 43.40 ? 231 ARG B CD 1 ATOM 6018 N NE . ARG B 1 149 ? 30.959 24.602 -16.714 1.00 39.52 ? 231 ARG B NE 1 ATOM 6019 C CZ . ARG B 1 149 ? 30.280 23.484 -16.947 1.00 38.28 ? 231 ARG B CZ 1 ATOM 6020 N NH1 . ARG B 1 149 ? 30.234 22.978 -18.171 1.00 35.21 ? 231 ARG B NH1 1 ATOM 6021 N NH2 . ARG B 1 149 ? 29.652 22.869 -15.954 1.00 37.71 ? 231 ARG B NH2 1 ATOM 6022 N N . PRO B 1 150 ? 28.084 27.152 -22.003 1.00 33.53 ? 232 PRO B N 1 ATOM 6023 C CA . PRO B 1 150 ? 27.044 26.820 -22.979 1.00 32.21 ? 232 PRO B CA 1 ATOM 6024 C C . PRO B 1 150 ? 27.108 25.354 -23.387 1.00 34.45 ? 232 PRO B C 1 ATOM 6025 O O . PRO B 1 150 ? 27.883 24.588 -22.814 1.00 33.64 ? 232 PRO B O 1 ATOM 6026 C CB . PRO B 1 150 ? 27.404 27.704 -24.170 1.00 29.30 ? 232 PRO B CB 1 ATOM 6027 C CG . PRO B 1 150 ? 28.884 27.876 -24.080 1.00 24.46 ? 232 PRO B CG 1 ATOM 6028 C CD . PRO B 1 150 ? 29.308 27.656 -22.652 1.00 31.17 ? 232 PRO B CD 1 HETATM 6029 N N . MSE B 1 151 ? 26.302 24.974 -24.373 1.00 42.87 ? 233 MSE B N 1 HETATM 6030 C CA . MSE B 1 151 ? 26.284 23.595 -24.846 1.00 41.22 ? 233 MSE B CA 1 HETATM 6031 C C . MSE B 1 151 ? 27.116 23.386 -26.109 1.00 48.55 ? 233 MSE B C 1 HETATM 6032 O O . MSE B 1 151 ? 27.567 24.342 -26.740 1.00 56.44 ? 233 MSE B O 1 HETATM 6033 C CB . MSE B 1 151 ? 24.848 23.112 -25.076 1.00 32.72 ? 233 MSE B CB 1 HETATM 6034 C CG . MSE B 1 151 ? 24.030 22.973 -23.804 1.00 31.11 ? 233 MSE B CG 1 HETATM 6035 SE SE . MSE B 1 151 ? 25.003 22.074 -22.371 1.00 81.15 ? 233 MSE B SE 1 HETATM 6036 C CE . MSE B 1 151 ? 25.594 20.479 -23.333 1.00 83.35 ? 233 MSE B CE 1 ATOM 6037 N N . TYR B 1 152 ? 27.316 22.122 -26.463 1.00 43.38 ? 234 TYR B N 1 ATOM 6038 C CA . TYR B 1 152 ? 28.087 21.758 -27.641 1.00 36.93 ? 234 TYR B CA 1 ATOM 6039 C C . TYR B 1 152 ? 27.155 21.261 -28.744 1.00 41.17 ? 234 TYR B C 1 ATOM 6040 O O . TYR B 1 152 ? 26.255 20.466 -28.480 1.00 50.47 ? 234 TYR B O 1 ATOM 6041 C CB . TYR B 1 152 ? 29.116 20.681 -27.281 1.00 34.90 ? 234 TYR B CB 1 ATOM 6042 C CG . TYR B 1 152 ? 30.090 20.342 -28.385 1.00 31.01 ? 234 TYR B CG 1 ATOM 6043 C CD1 . TYR B 1 152 ? 31.239 21.098 -28.581 1.00 42.17 ? 234 TYR B CD1 1 ATOM 6044 C CD2 . TYR B 1 152 ? 29.870 19.256 -29.220 1.00 23.26 ? 234 TYR B CD2 1 ATOM 6045 C CE1 . TYR B 1 152 ? 32.137 20.789 -29.589 1.00 44.87 ? 234 TYR B CE1 1 ATOM 6046 C CE2 . TYR B 1 152 ? 30.760 18.938 -30.228 1.00 37.08 ? 234 TYR B CE2 1 ATOM 6047 C CZ . TYR B 1 152 ? 31.892 19.706 -30.409 1.00 40.56 ? 234 TYR B CZ 1 ATOM 6048 O OH . TYR B 1 152 ? 32.783 19.393 -31.413 1.00 33.30 ? 234 TYR B OH 1 ATOM 6049 N N . PRO B 1 153 ? 27.370 21.723 -29.990 1.00 45.52 ? 235 PRO B N 1 ATOM 6050 C CA . PRO B 1 153 ? 28.367 22.727 -30.382 1.00 41.52 ? 235 PRO B CA 1 ATOM 6051 C C . PRO B 1 153 ? 27.925 24.133 -29.982 1.00 44.16 ? 235 PRO B C 1 ATOM 6052 O O . PRO B 1 153 ? 26.732 24.318 -29.692 1.00 53.05 ? 235 PRO B O 1 ATOM 6053 C CB . PRO B 1 153 ? 28.390 22.616 -31.911 1.00 42.79 ? 235 PRO B CB 1 ATOM 6054 C CG . PRO B 1 153 ? 27.771 21.315 -32.230 1.00 45.43 ? 235 PRO B CG 1 ATOM 6055 C CD . PRO B 1 153 ? 26.748 21.095 -31.166 1.00 42.23 ? 235 PRO B CD 1 ATOM 6056 N N . THR B 1 154 ? 28.859 25.088 -29.953 1.00 38.81 ? 236 THR B N 1 ATOM 6057 C CA . THR B 1 154 ? 28.552 26.438 -29.500 1.00 41.19 ? 236 THR B CA 1 ATOM 6058 C C . THR B 1 154 ? 27.921 27.225 -30.645 1.00 46.72 ? 236 THR B C 1 ATOM 6059 O O . THR B 1 154 ? 28.537 28.102 -31.257 1.00 49.11 ? 236 THR B O 1 ATOM 6060 C CB . THR B 1 154 ? 29.814 27.145 -29.023 1.00 43.32 ? 236 THR B CB 1 ATOM 6061 O OG1 . THR B 1 154 ? 30.924 26.240 -29.097 1.00 29.66 ? 236 THR B OG1 1 ATOM 6062 C CG2 . THR B 1 154 ? 29.629 27.586 -27.582 1.00 56.09 ? 236 THR B CG2 1 ATOM 6063 N N . LYS B 1 155 ? 26.662 26.902 -30.919 1.00 43.91 ? 237 LYS B N 1 ATOM 6064 C CA . LYS B 1 155 ? 25.899 27.540 -31.994 1.00 48.96 ? 237 LYS B CA 1 ATOM 6065 C C . LYS B 1 155 ? 24.611 28.175 -31.440 1.00 50.84 ? 237 LYS B C 1 ATOM 6066 O O . LYS B 1 155 ? 24.159 27.850 -30.344 1.00 61.96 ? 237 LYS B O 1 ATOM 6067 C CB . LYS B 1 155 ? 25.545 26.538 -33.088 1.00 48.99 ? 237 LYS B CB 1 ATOM 6068 C CG . LYS B 1 155 ? 26.726 25.974 -33.855 1.00 48.06 ? 237 LYS B CG 1 ATOM 6069 C CD . LYS B 1 155 ? 27.273 27.053 -34.779 1.00 44.49 ? 237 LYS B CD 1 ATOM 6070 C CE . LYS B 1 155 ? 28.426 26.526 -35.592 1.00 38.84 ? 237 LYS B CE 1 ATOM 6071 N NZ . LYS B 1 155 ? 29.390 27.552 -36.018 1.00 38.21 ? 237 LYS B NZ 1 ATOM 6072 N N . THR B 1 156 ? 24.029 29.099 -32.198 1.00 42.82 ? 238 THR B N 1 ATOM 6073 C CA . THR B 1 156 ? 22.856 29.853 -31.742 1.00 43.12 ? 238 THR B CA 1 ATOM 6074 C C . THR B 1 156 ? 21.633 29.001 -31.402 1.00 45.61 ? 238 THR B C 1 ATOM 6075 O O . THR B 1 156 ? 21.194 28.960 -30.254 1.00 52.19 ? 238 THR B O 1 ATOM 6076 C CB . THR B 1 156 ? 22.428 30.895 -32.797 1.00 41.69 ? 238 THR B CB 1 ATOM 6077 O OG1 . THR B 1 156 ? 23.493 31.829 -33.008 1.00 51.81 ? 238 THR B OG1 1 ATOM 6078 C CG2 . THR B 1 156 ? 21.162 31.635 -32.350 1.00 29.24 ? 238 THR B CG2 1 ATOM 6079 N N . PHE B 1 157 ? 21.093 28.322 -32.408 1.00 40.49 ? 239 PHE B N 1 ATOM 6080 C CA . PHE B 1 157 ? 19.880 27.524 -32.250 1.00 46.28 ? 239 PHE B CA 1 ATOM 6081 C C . PHE B 1 157 ? 19.944 26.407 -31.187 1.00 46.95 ? 239 PHE B C 1 ATOM 6082 O O . PHE B 1 157 ? 19.014 26.272 -30.392 1.00 43.63 ? 239 PHE B O 1 ATOM 6083 C CB . PHE B 1 157 ? 19.395 26.983 -33.597 1.00 43.26 ? 239 PHE B CB 1 ATOM 6084 C CG . PHE B 1 157 ? 18.216 27.717 -34.152 1.00 44.74 ? 239 PHE B CG 1 ATOM 6085 C CD1 . PHE B 1 157 ? 18.347 29.022 -34.596 1.00 44.31 ? 239 PHE B CD1 1 ATOM 6086 C CD2 . PHE B 1 157 ? 16.977 27.109 -34.232 1.00 23.00 ? 239 PHE B CD2 1 ATOM 6087 C CE1 . PHE B 1 157 ? 17.260 29.713 -35.109 1.00 37.90 ? 239 PHE B CE1 1 ATOM 6088 C CE2 . PHE B 1 157 ? 15.888 27.791 -34.744 1.00 35.26 ? 239 PHE B CE2 1 ATOM 6089 C CZ . PHE B 1 157 ? 16.030 29.095 -35.184 1.00 32.12 ? 239 PHE B CZ 1 ATOM 6090 N N . PRO B 1 158 ? 21.020 25.591 -31.177 1.00 44.06 ? 240 PRO B N 1 ATOM 6091 C CA . PRO B 1 158 ? 21.068 24.539 -30.153 1.00 42.12 ? 240 PRO B CA 1 ATOM 6092 C C . PRO B 1 158 ? 21.084 25.118 -28.740 1.00 46.54 ? 240 PRO B C 1 ATOM 6093 O O . PRO B 1 158 ? 20.369 24.625 -27.868 1.00 54.06 ? 240 PRO B O 1 ATOM 6094 C CB . PRO B 1 158 ? 22.392 23.828 -30.439 1.00 31.19 ? 240 PRO B CB 1 ATOM 6095 C CG . PRO B 1 158 ? 22.662 24.099 -31.870 1.00 33.87 ? 240 PRO B CG 1 ATOM 6096 C CD . PRO B 1 158 ? 22.152 25.483 -32.114 1.00 40.67 ? 240 PRO B CD 1 ATOM 6097 N N . ASN B 1 159 ? 21.889 26.154 -28.522 1.00 40.68 ? 241 ASN B N 1 ATOM 6098 C CA . ASN B 1 159 ? 22.005 26.762 -27.200 1.00 34.94 ? 241 ASN B CA 1 ATOM 6099 C C . ASN B 1 159 ? 20.746 27.519 -26.794 1.00 34.44 ? 241 ASN B C 1 ATOM 6100 O O . ASN B 1 159 ? 20.267 27.368 -25.672 1.00 36.07 ? 241 ASN B O 1 ATOM 6101 C CB . ASN B 1 159 ? 23.235 27.668 -27.123 1.00 32.39 ? 241 ASN B CB 1 ATOM 6102 C CG . ASN B 1 159 ? 24.534 26.895 -27.231 1.00 45.88 ? 241 ASN B CG 1 ATOM 6103 O OD1 . ASN B 1 159 ? 25.088 26.452 -26.226 1.00 49.81 ? 241 ASN B OD1 1 ATOM 6104 N ND2 . ASN B 1 159 ? 25.024 26.724 -28.452 1.00 55.73 ? 241 ASN B ND2 1 ATOM 6105 N N . HIS B 1 160 ? 20.212 28.327 -27.706 1.00 29.17 ? 242 HIS B N 1 ATOM 6106 C CA . HIS B 1 160 ? 18.978 29.067 -27.446 1.00 25.49 ? 242 HIS B CA 1 ATOM 6107 C C . HIS B 1 160 ? 17.820 28.137 -27.115 1.00 25.06 ? 242 HIS B C 1 ATOM 6108 O O . HIS B 1 160 ? 16.939 28.488 -26.331 1.00 22.17 ? 242 HIS B O 1 ATOM 6109 C CB . HIS B 1 160 ? 18.600 29.940 -28.645 1.00 25.38 ? 242 HIS B CB 1 ATOM 6110 C CG . HIS B 1 160 ? 19.129 31.340 -28.573 1.00 32.65 ? 242 HIS B CG 1 ATOM 6111 N ND1 . HIS B 1 160 ? 20.314 31.725 -29.162 1.00 36.00 ? 242 HIS B ND1 1 ATOM 6112 C CD2 . HIS B 1 160 ? 18.623 32.450 -27.985 1.00 33.54 ? 242 HIS B CD2 1 ATOM 6113 C CE1 . HIS B 1 160 ? 20.515 33.012 -28.939 1.00 38.21 ? 242 HIS B CE1 1 ATOM 6114 N NE2 . HIS B 1 160 ? 19.506 33.475 -28.224 1.00 34.79 ? 242 HIS B NE2 1 ATOM 6115 N N . TYR B 1 161 ? 17.818 26.953 -27.715 1.00 21.37 ? 243 TYR B N 1 ATOM 6116 C CA . TYR B 1 161 ? 16.753 25.995 -27.461 1.00 26.67 ? 243 TYR B CA 1 ATOM 6117 C C . TYR B 1 161 ? 17.035 25.183 -26.203 1.00 29.98 ? 243 TYR B C 1 ATOM 6118 O O . TYR B 1 161 ? 16.112 24.720 -25.538 1.00 36.61 ? 243 TYR B O 1 ATOM 6119 C CB . TYR B 1 161 ? 16.538 25.076 -28.666 1.00 31.16 ? 243 TYR B CB 1 ATOM 6120 C CG . TYR B 1 161 ? 15.221 24.336 -28.624 1.00 32.37 ? 243 TYR B CG 1 ATOM 6121 C CD1 . TYR B 1 161 ? 14.017 25.025 -28.689 1.00 30.75 ? 243 TYR B CD1 1 ATOM 6122 C CD2 . TYR B 1 161 ? 15.178 22.952 -28.511 1.00 29.99 ? 243 TYR B CD2 1 ATOM 6123 C CE1 . TYR B 1 161 ? 12.810 24.359 -28.644 1.00 36.90 ? 243 TYR B CE1 1 ATOM 6124 C CE2 . TYR B 1 161 ? 13.972 22.276 -28.467 1.00 30.68 ? 243 TYR B CE2 1 ATOM 6125 C CZ . TYR B 1 161 ? 12.792 22.986 -28.533 1.00 41.67 ? 243 TYR B CZ 1 ATOM 6126 O OH . TYR B 1 161 ? 11.587 22.323 -28.491 1.00 50.59 ? 243 TYR B OH 1 ATOM 6127 N N . SER B 1 162 ? 18.313 25.022 -25.874 1.00 35.06 ? 244 SER B N 1 ATOM 6128 C CA . SER B 1 162 ? 18.692 24.333 -24.646 1.00 38.23 ? 244 SER B CA 1 ATOM 6129 C C . SER B 1 162 ? 18.399 25.194 -23.421 1.00 28.94 ? 244 SER B C 1 ATOM 6130 O O . SER B 1 162 ? 18.112 24.677 -22.343 1.00 40.21 ? 244 SER B O 1 ATOM 6131 C CB . SER B 1 162 ? 20.169 23.935 -24.669 1.00 39.30 ? 244 SER B CB 1 ATOM 6132 O OG . SER B 1 162 ? 20.392 22.853 -25.557 1.00 42.85 ? 244 SER B OG 1 ATOM 6133 N N . ILE B 1 163 ? 18.476 26.509 -23.595 1.00 16.69 ? 245 ILE B N 1 ATOM 6134 C CA . ILE B 1 163 ? 18.164 27.448 -22.524 1.00 13.58 ? 245 ILE B CA 1 ATOM 6135 C C . ILE B 1 163 ? 16.707 27.311 -22.091 1.00 14.37 ? 245 ILE B C 1 ATOM 6136 O O . ILE B 1 163 ? 16.413 27.203 -20.901 1.00 39.79 ? 245 ILE B O 1 ATOM 6137 C CB . ILE B 1 163 ? 18.423 28.903 -22.960 1.00 20.50 ? 245 ILE B CB 1 ATOM 6138 C CG1 . ILE B 1 163 ? 19.923 29.152 -23.113 1.00 27.15 ? 245 ILE B CG1 1 ATOM 6139 C CG2 . ILE B 1 163 ? 17.841 29.879 -21.954 1.00 19.08 ? 245 ILE B CG2 1 ATOM 6140 C CD1 . ILE B 1 163 ? 20.265 30.516 -23.667 1.00 27.43 ? 245 ILE B CD1 1 ATOM 6141 N N . VAL B 1 164 ? 15.800 27.312 -23.062 1.00 39.76 ? 246 VAL B N 1 ATOM 6142 C CA . VAL B 1 164 ? 14.370 27.287 -22.768 1.00 37.63 ? 246 VAL B CA 1 ATOM 6143 C C . VAL B 1 164 ? 13.823 25.875 -22.561 1.00 42.25 ? 246 VAL B C 1 ATOM 6144 O O . VAL B 1 164 ? 12.644 25.703 -22.254 1.00 52.24 ? 246 VAL B O 1 ATOM 6145 C CB . VAL B 1 164 ? 13.552 27.991 -23.871 1.00 29.02 ? 246 VAL B CB 1 ATOM 6146 C CG1 . VAL B 1 164 ? 13.849 29.482 -23.881 1.00 25.93 ? 246 VAL B CG1 1 ATOM 6147 C CG2 . VAL B 1 164 ? 13.842 27.368 -25.228 1.00 34.40 ? 246 VAL B CG2 1 ATOM 6148 N N . THR B 1 165 ? 14.675 24.867 -22.728 1.00 25.67 ? 247 THR B N 1 ATOM 6149 C CA . THR B 1 165 ? 14.251 23.487 -22.511 1.00 41.77 ? 247 THR B CA 1 ATOM 6150 C C . THR B 1 165 ? 15.021 22.804 -21.384 1.00 52.80 ? 247 THR B C 1 ATOM 6151 O O . THR B 1 165 ? 14.537 21.838 -20.793 1.00 50.03 ? 247 THR B O 1 ATOM 6152 C CB . THR B 1 165 ? 14.397 22.638 -23.786 1.00 48.74 ? 247 THR B CB 1 ATOM 6153 O OG1 . THR B 1 165 ? 15.744 22.723 -24.266 1.00 42.63 ? 247 THR B OG1 1 ATOM 6154 C CG2 . THR B 1 165 ? 13.444 23.126 -24.866 1.00 55.68 ? 247 THR B CG2 1 ATOM 6155 N N . GLY B 1 166 ? 16.218 23.304 -21.091 1.00 57.42 ? 248 GLY B N 1 ATOM 6156 C CA . GLY B 1 166 ? 17.060 22.706 -20.070 1.00 52.93 ? 248 GLY B CA 1 ATOM 6157 C C . GLY B 1 166 ? 17.546 21.327 -20.469 1.00 48.74 ? 248 GLY B C 1 ATOM 6158 O O . GLY B 1 166 ? 17.920 20.517 -19.620 1.00 12.23 ? 248 GLY B O 1 ATOM 6159 N N . LEU B 1 167 ? 17.534 21.061 -21.771 1.00 43.71 ? 249 LEU B N 1 ATOM 6160 C CA . LEU B 1 167 ? 17.924 19.759 -22.294 1.00 35.56 ? 249 LEU B CA 1 ATOM 6161 C C . LEU B 1 167 ? 19.222 19.832 -23.082 1.00 31.98 ? 249 LEU B C 1 ATOM 6162 O O . LEU B 1 167 ? 19.568 20.877 -23.634 1.00 35.00 ? 249 LEU B O 1 ATOM 6163 C CB . LEU B 1 167 ? 16.816 19.194 -23.186 1.00 31.39 ? 249 LEU B CB 1 ATOM 6164 C CG . LEU B 1 167 ? 15.512 18.775 -22.511 1.00 29.15 ? 249 LEU B CG 1 ATOM 6165 C CD1 . LEU B 1 167 ? 14.496 18.327 -23.547 1.00 29.58 ? 249 LEU B CD1 1 ATOM 6166 C CD2 . LEU B 1 167 ? 15.785 17.665 -21.521 1.00 35.72 ? 249 LEU B CD2 1 ATOM 6167 N N . TYR B 1 168 ? 19.938 18.716 -23.131 1.00 23.09 ? 250 TYR B N 1 ATOM 6168 C CA . TYR B 1 168 ? 21.104 18.602 -23.992 1.00 27.98 ? 250 TYR B CA 1 ATOM 6169 C C . TYR B 1 168 ? 20.629 18.612 -25.441 1.00 41.34 ? 250 TYR B C 1 ATOM 6170 O O . TYR B 1 168 ? 19.548 18.102 -25.741 1.00 43.16 ? 250 TYR B O 1 ATOM 6171 C CB . TYR B 1 168 ? 21.867 17.312 -23.689 1.00 31.12 ? 250 TYR B CB 1 ATOM 6172 C CG . TYR B 1 168 ? 22.565 17.310 -22.347 1.00 36.38 ? 250 TYR B CG 1 ATOM 6173 C CD1 . TYR B 1 168 ? 23.263 18.425 -21.907 1.00 36.13 ? 250 TYR B CD1 1 ATOM 6174 C CD2 . TYR B 1 168 ? 22.538 16.189 -21.526 1.00 44.40 ? 250 TYR B CD2 1 ATOM 6175 C CE1 . TYR B 1 168 ? 23.909 18.430 -20.686 1.00 42.76 ? 250 TYR B CE1 1 ATOM 6176 C CE2 . TYR B 1 168 ? 23.180 16.184 -20.301 1.00 42.33 ? 250 TYR B CE2 1 ATOM 6177 C CZ . TYR B 1 168 ? 23.865 17.308 -19.886 1.00 43.02 ? 250 TYR B CZ 1 ATOM 6178 O OH . TYR B 1 168 ? 24.506 17.315 -18.668 1.00 36.59 ? 250 TYR B OH 1 ATOM 6179 N N . PRO B 1 169 ? 21.429 19.202 -26.343 1.00 38.95 ? 251 PRO B N 1 ATOM 6180 C CA . PRO B 1 169 ? 21.108 19.256 -27.775 1.00 30.92 ? 251 PRO B CA 1 ATOM 6181 C C . PRO B 1 169 ? 20.846 17.872 -28.360 1.00 31.42 ? 251 PRO B C 1 ATOM 6182 O O . PRO B 1 169 ? 20.057 17.740 -29.294 1.00 37.37 ? 251 PRO B O 1 ATOM 6183 C CB . PRO B 1 169 ? 22.369 19.866 -28.388 1.00 39.08 ? 251 PRO B CB 1 ATOM 6184 C CG . PRO B 1 169 ? 22.941 20.697 -27.295 1.00 39.06 ? 251 PRO B CG 1 ATOM 6185 C CD . PRO B 1 169 ? 22.663 19.943 -26.028 1.00 35.95 ? 251 PRO B CD 1 ATOM 6186 N N . GLU B 1 170 ? 21.502 16.855 -27.809 1.00 31.38 ? 252 GLU B N 1 ATOM 6187 C CA . GLU B 1 170 ? 21.331 15.483 -28.271 1.00 32.73 ? 252 GLU B CA 1 ATOM 6188 C C . GLU B 1 170 ? 19.931 14.964 -27.955 1.00 39.69 ? 252 GLU B C 1 ATOM 6189 O O . GLU B 1 170 ? 19.519 13.922 -28.466 1.00 45.32 ? 252 GLU B O 1 ATOM 6190 C CB . GLU B 1 170 ? 22.362 14.560 -27.622 1.00 38.45 ? 252 GLU B CB 1 ATOM 6191 C CG . GLU B 1 170 ? 22.178 14.370 -26.127 1.00 42.36 ? 252 GLU B CG 1 ATOM 6192 C CD . GLU B 1 170 ? 23.092 13.302 -25.559 1.00 53.45 ? 252 GLU B CD 1 ATOM 6193 O OE1 . GLU B 1 170 ? 24.002 12.849 -26.285 1.00 45.47 ? 252 GLU B OE1 1 ATOM 6194 O OE2 . GLU B 1 170 ? 22.903 12.916 -24.386 1.00 60.23 ? 252 GLU B OE2 1 ATOM 6195 N N . SER B 1 171 ? 19.202 15.690 -27.112 1.00 33.27 ? 253 SER B N 1 ATOM 6196 C CA . SER B 1 171 ? 17.892 15.240 -26.656 1.00 33.27 ? 253 SER B CA 1 ATOM 6197 C C . SER B 1 171 ? 16.737 16.113 -27.145 1.00 36.35 ? 253 SER B C 1 ATOM 6198 O O . SER B 1 171 ? 15.607 15.638 -27.258 1.00 39.91 ? 253 SER B O 1 ATOM 6199 C CB . SER B 1 171 ? 17.862 15.125 -25.129 1.00 35.44 ? 253 SER B CB 1 ATOM 6200 O OG . SER B 1 171 ? 18.706 14.080 -24.679 1.00 35.37 ? 253 SER B OG 1 ATOM 6201 N N . HIS B 1 172 ? 17.008 17.385 -27.425 1.00 33.57 ? 254 HIS B N 1 ATOM 6202 C CA . HIS B 1 172 ? 15.940 18.278 -27.867 1.00 32.91 ? 254 HIS B CA 1 ATOM 6203 C C . HIS B 1 172 ? 15.853 18.401 -29.390 1.00 32.40 ? 254 HIS B C 1 ATOM 6204 O O . HIS B 1 172 ? 14.994 19.109 -29.913 1.00 36.73 ? 254 HIS B O 1 ATOM 6205 C CB . HIS B 1 172 ? 16.010 19.657 -27.189 1.00 33.47 ? 254 HIS B CB 1 ATOM 6206 C CG . HIS B 1 172 ? 17.228 20.461 -27.527 1.00 38.94 ? 254 HIS B CG 1 ATOM 6207 N ND1 . HIS B 1 172 ? 17.594 20.758 -28.822 1.00 46.52 ? 254 HIS B ND1 1 ATOM 6208 C CD2 . HIS B 1 172 ? 18.141 21.067 -26.731 1.00 41.15 ? 254 HIS B CD2 1 ATOM 6209 C CE1 . HIS B 1 172 ? 18.690 21.494 -28.810 1.00 42.12 ? 254 HIS B CE1 1 ATOM 6210 N NE2 . HIS B 1 172 ? 19.042 21.698 -27.554 1.00 41.39 ? 254 HIS B NE2 1 ATOM 6211 N N . GLY B 1 173 ? 16.746 17.714 -30.096 1.00 34.42 ? 255 GLY B N 1 ATOM 6212 C CA . GLY B 1 173 ? 16.647 17.609 -31.543 1.00 40.17 ? 255 GLY B CA 1 ATOM 6213 C C . GLY B 1 173 ? 17.443 18.614 -32.353 1.00 33.23 ? 255 GLY B C 1 ATOM 6214 O O . GLY B 1 173 ? 17.879 18.310 -33.463 1.00 34.11 ? 255 GLY B O 1 ATOM 6215 N N . ILE B 1 174 ? 17.628 19.812 -31.814 1.00 25.98 ? 256 ILE B N 1 ATOM 6216 C CA . ILE B 1 174 ? 18.355 20.857 -32.528 1.00 27.50 ? 256 ILE B CA 1 ATOM 6217 C C . ILE B 1 174 ? 19.859 20.737 -32.294 1.00 33.80 ? 256 ILE B C 1 ATOM 6218 O O . ILE B 1 174 ? 20.413 21.358 -31.387 1.00 47.34 ? 256 ILE B O 1 ATOM 6219 C CB . ILE B 1 174 ? 17.865 22.263 -32.127 1.00 27.48 ? 256 ILE B CB 1 ATOM 6220 C CG1 . ILE B 1 174 ? 16.337 22.329 -32.166 1.00 24.25 ? 256 ILE B CG1 1 ATOM 6221 C CG2 . ILE B 1 174 ? 18.471 23.322 -33.035 1.00 21.17 ? 256 ILE B CG2 1 ATOM 6222 C CD1 . ILE B 1 174 ? 15.741 22.031 -33.521 1.00 26.80 ? 256 ILE B CD1 1 ATOM 6223 N N . ILE B 1 175 ? 20.507 19.925 -33.122 1.00 28.19 ? 257 ILE B N 1 ATOM 6224 C CA . ILE B 1 175 ? 21.926 19.626 -32.972 1.00 26.48 ? 257 ILE B CA 1 ATOM 6225 C C . ILE B 1 175 ? 22.807 20.790 -33.419 1.00 30.34 ? 257 ILE B C 1 ATOM 6226 O O . ILE B 1 175 ? 23.777 21.139 -32.746 1.00 41.95 ? 257 ILE B O 1 ATOM 6227 C CB . ILE B 1 175 ? 22.304 18.342 -33.747 1.00 35.01 ? 257 ILE B CB 1 ATOM 6228 C CG1 . ILE B 1 175 ? 22.033 17.102 -32.895 1.00 38.75 ? 257 ILE B CG1 1 ATOM 6229 C CG2 . ILE B 1 175 ? 23.761 18.369 -34.180 1.00 34.08 ? 257 ILE B CG2 1 ATOM 6230 C CD1 . ILE B 1 175 ? 20.576 16.756 -32.735 1.00 33.65 ? 257 ILE B CD1 1 ATOM 6231 N N . ASP B 1 176 ? 22.457 21.398 -34.547 1.00 26.22 ? 258 ASP B N 1 ATOM 6232 C CA . ASP B 1 176 ? 23.231 22.505 -35.094 1.00 36.88 ? 258 ASP B CA 1 ATOM 6233 C C . ASP B 1 176 ? 22.302 23.451 -35.847 1.00 37.28 ? 258 ASP B C 1 ATOM 6234 O O . ASP B 1 176 ? 21.131 23.137 -36.060 1.00 36.72 ? 258 ASP B O 1 ATOM 6235 C CB . ASP B 1 176 ? 24.326 21.972 -36.025 1.00 44.08 ? 258 ASP B CB 1 ATOM 6236 C CG . ASP B 1 176 ? 25.448 22.973 -36.251 1.00 47.34 ? 258 ASP B CG 1 ATOM 6237 O OD1 . ASP B 1 176 ? 25.185 24.193 -36.218 1.00 44.35 ? 258 ASP B OD1 1 ATOM 6238 O OD2 . ASP B 1 176 ? 26.600 22.535 -36.463 1.00 50.69 ? 258 ASP B OD2 1 ATOM 6239 N N . ASN B 1 177 ? 22.823 24.609 -36.239 1.00 41.33 ? 259 ASN B N 1 ATOM 6240 C CA . ASN B 1 177 ? 22.082 25.526 -37.096 1.00 48.03 ? 259 ASN B CA 1 ATOM 6241 C C . ASN B 1 177 ? 21.765 24.858 -38.428 1.00 47.77 ? 259 ASN B C 1 ATOM 6242 O O . ASN B 1 177 ? 20.672 25.013 -38.973 1.00 37.15 ? 259 ASN B O 1 ATOM 6243 C CB . ASN B 1 177 ? 22.873 26.816 -37.327 1.00 46.28 ? 259 ASN B CB 1 ATOM 6244 C CG . ASN B 1 177 ? 22.899 27.712 -36.105 1.00 50.17 ? 259 ASN B CG 1 ATOM 6245 O OD1 . ASN B 1 177 ? 22.169 27.486 -35.140 1.00 55.55 ? 259 ASN B OD1 1 ATOM 6246 N ND2 . ASN B 1 177 ? 23.740 28.739 -36.141 1.00 50.49 ? 259 ASN B ND2 1 ATOM 6247 N N . LYS B 1 178 ? 22.737 24.113 -38.946 1.00 50.40 ? 260 LYS B N 1 ATOM 6248 C CA . LYS B 1 178 ? 22.554 23.339 -40.166 1.00 40.71 ? 260 LYS B CA 1 ATOM 6249 C C . LYS B 1 178 ? 22.811 21.864 -39.874 1.00 44.53 ? 260 LYS B C 1 ATOM 6250 O O . LYS B 1 178 ? 23.911 21.483 -39.476 1.00 44.69 ? 260 LYS B O 1 ATOM 6251 C CB . LYS B 1 178 ? 23.496 23.835 -41.263 1.00 26.19 ? 260 LYS B CB 1 HETATM 6252 N N . MSE B 1 179 ? 21.787 21.040 -40.069 1.00 52.24 ? 261 MSE B N 1 HETATM 6253 C CA . MSE B 1 179 ? 21.875 19.619 -39.761 1.00 54.44 ? 261 MSE B CA 1 HETATM 6254 C C . MSE B 1 179 ? 20.968 18.799 -40.674 1.00 58.10 ? 261 MSE B C 1 HETATM 6255 O O . MSE B 1 179 ? 20.194 19.353 -41.456 1.00 49.64 ? 261 MSE B O 1 HETATM 6256 C CB . MSE B 1 179 ? 21.501 19.377 -38.300 1.00 52.27 ? 261 MSE B CB 1 HETATM 6257 C CG . MSE B 1 179 ? 20.257 20.130 -37.867 1.00 45.77 ? 261 MSE B CG 1 HETATM 6258 SE SE . MSE B 1 179 ? 19.341 19.298 -36.366 1.00 81.55 ? 261 MSE B SE 1 HETATM 6259 C CE . MSE B 1 179 ? 17.896 20.591 -36.166 1.00 32.33 ? 261 MSE B CE 1 ATOM 6260 N N . TYR B 1 180 ? 21.059 17.478 -40.560 1.00 61.08 ? 262 TYR B N 1 ATOM 6261 C CA . TYR B 1 180 ? 20.315 16.586 -41.443 1.00 63.67 ? 262 TYR B CA 1 ATOM 6262 C C . TYR B 1 180 ? 19.802 15.360 -40.685 1.00 64.26 ? 262 TYR B C 1 ATOM 6263 O O . TYR B 1 180 ? 20.511 14.787 -39.859 1.00 73.11 ? 262 TYR B O 1 ATOM 6264 C CB . TYR B 1 180 ? 21.182 16.157 -42.627 1.00 70.57 ? 262 TYR B CB 1 ATOM 6265 C CG . TYR B 1 180 ? 20.558 15.069 -43.467 1.00 80.18 ? 262 TYR B CG 1 ATOM 6266 C CD1 . TYR B 1 180 ? 19.645 15.381 -44.467 1.00 82.91 ? 262 TYR B CD1 1 ATOM 6267 C CD2 . TYR B 1 180 ? 20.876 13.734 -43.264 1.00 82.87 ? 262 TYR B CD2 1 ATOM 6268 C CE1 . TYR B 1 180 ? 19.063 14.396 -45.239 1.00 88.22 ? 262 TYR B CE1 1 ATOM 6269 C CE2 . TYR B 1 180 ? 20.299 12.744 -44.028 1.00 86.11 ? 262 TYR B CE2 1 ATOM 6270 C CZ . TYR B 1 180 ? 19.395 13.078 -45.017 1.00 90.10 ? 262 TYR B CZ 1 ATOM 6271 O OH . TYR B 1 180 ? 18.821 12.091 -45.785 1.00 92.01 ? 262 TYR B OH 1 ATOM 6272 N N . ASP B 1 181 ? 18.565 14.966 -40.977 1.00 52.22 ? 263 ASP B N 1 ATOM 6273 C CA . ASP B 1 181 ? 17.955 13.788 -40.361 1.00 48.47 ? 263 ASP B CA 1 ATOM 6274 C C . ASP B 1 181 ? 17.880 12.653 -41.384 1.00 50.80 ? 263 ASP B C 1 ATOM 6275 O O . ASP B 1 181 ? 17.205 12.773 -42.406 1.00 64.49 ? 263 ASP B O 1 ATOM 6276 C CB . ASP B 1 181 ? 16.560 14.128 -39.833 1.00 53.32 ? 263 ASP B CB 1 ATOM 6277 C CG . ASP B 1 181 ? 15.960 13.022 -38.974 1.00 55.03 ? 263 ASP B CG 1 ATOM 6278 O OD1 . ASP B 1 181 ? 16.313 11.836 -39.152 1.00 59.22 ? 263 ASP B OD1 1 ATOM 6279 O OD2 . ASP B 1 181 ? 15.127 13.347 -38.106 1.00 50.65 ? 263 ASP B OD2 1 ATOM 6280 N N . PRO B 1 182 ? 18.593 11.548 -41.105 1.00 44.08 ? 264 PRO B N 1 ATOM 6281 C CA . PRO B 1 182 ? 18.662 10.367 -41.977 1.00 51.22 ? 264 PRO B CA 1 ATOM 6282 C C . PRO B 1 182 ? 17.328 9.656 -42.129 1.00 59.82 ? 264 PRO B C 1 ATOM 6283 O O . PRO B 1 182 ? 16.987 9.238 -43.234 1.00 72.16 ? 264 PRO B O 1 ATOM 6284 C CB . PRO B 1 182 ? 19.648 9.433 -41.265 1.00 50.83 ? 264 PRO B CB 1 ATOM 6285 C CG . PRO B 1 182 ? 20.035 10.079 -40.015 1.00 54.93 ? 264 PRO B CG 1 ATOM 6286 C CD . PRO B 1 182 ? 19.417 11.420 -39.893 1.00 51.16 ? 264 PRO B CD 1 ATOM 6287 N N . LYS B 1 183 ? 16.591 9.506 -41.035 1.00 57.78 ? 265 LYS B N 1 ATOM 6288 C CA . LYS B 1 183 ? 15.326 8.781 -41.072 1.00 58.15 ? 265 LYS B CA 1 ATOM 6289 C C . LYS B 1 183 ? 14.271 9.544 -41.863 1.00 63.01 ? 265 LYS B C 1 ATOM 6290 O O . LYS B 1 183 ? 13.515 8.957 -42.638 1.00 64.53 ? 265 LYS B O 1 ATOM 6291 C CB . LYS B 1 183 ? 14.830 8.498 -39.655 1.00 52.15 ? 265 LYS B CB 1 HETATM 6292 N N . MSE B 1 184 ? 14.228 10.857 -41.659 1.00 64.09 ? 266 MSE B N 1 HETATM 6293 C CA . MSE B 1 184 ? 13.252 11.713 -42.323 1.00 75.31 ? 266 MSE B CA 1 HETATM 6294 C C . MSE B 1 184 ? 13.668 12.063 -43.748 1.00 78.58 ? 266 MSE B C 1 HETATM 6295 O O . MSE B 1 184 ? 12.843 12.502 -44.549 1.00 85.43 ? 266 MSE B O 1 HETATM 6296 C CB . MSE B 1 184 ? 13.047 13.001 -41.523 1.00 81.55 ? 266 MSE B CB 1 HETATM 6297 C CG . MSE B 1 184 ? 12.365 12.808 -40.182 1.00 82.66 ? 266 MSE B CG 1 HETATM 6298 SE SE . MSE B 1 184 ? 12.164 14.497 -39.232 1.00 143.25 ? 266 MSE B SE 1 HETATM 6299 C CE . MSE B 1 184 ? 11.419 15.563 -40.684 1.00 49.89 ? 266 MSE B CE 1 ATOM 6300 N N . ASN B 1 185 ? 14.949 11.867 -44.050 1.00 73.23 ? 267 ASN B N 1 ATOM 6301 C CA . ASN B 1 185 ? 15.523 12.251 -45.339 1.00 81.46 ? 267 ASN B CA 1 ATOM 6302 C C . ASN B 1 185 ? 15.291 13.730 -45.650 1.00 83.08 ? 267 ASN B C 1 ATOM 6303 O O . ASN B 1 185 ? 14.839 14.086 -46.739 1.00 88.33 ? 267 ASN B O 1 ATOM 6304 C CB . ASN B 1 185 ? 14.978 11.369 -46.469 1.00 92.77 ? 267 ASN B CB 1 ATOM 6305 C CG . ASN B 1 185 ? 15.769 11.514 -47.759 1.00 107.82 ? 267 ASN B CG 1 ATOM 6306 O OD1 . ASN B 1 185 ? 16.956 11.843 -47.739 1.00 105.96 ? 267 ASN B OD1 1 ATOM 6307 N ND2 . ASN B 1 185 ? 15.107 11.280 -48.888 1.00 127.02 ? 267 ASN B ND2 1 ATOM 6308 N N . ALA B 1 186 ? 15.592 14.588 -44.680 1.00 79.17 ? 268 ALA B N 1 ATOM 6309 C CA . ALA B 1 186 ? 15.392 16.023 -44.841 1.00 77.28 ? 268 ALA B CA 1 ATOM 6310 C C . ALA B 1 186 ? 16.478 16.817 -44.122 1.00 68.57 ? 268 ALA B C 1 ATOM 6311 O O . ALA B 1 186 ? 16.941 16.422 -43.052 1.00 74.20 ? 268 ALA B O 1 ATOM 6312 C CB . ALA B 1 186 ? 14.014 16.426 -44.335 1.00 78.56 ? 268 ALA B CB 1 ATOM 6313 N N . SER B 1 187 ? 16.882 17.936 -44.716 1.00 58.64 ? 269 SER B N 1 ATOM 6314 C CA . SER B 1 187 ? 17.914 18.785 -44.132 1.00 54.02 ? 269 SER B CA 1 ATOM 6315 C C . SER B 1 187 ? 17.324 19.948 -43.339 1.00 57.47 ? 269 SER B C 1 ATOM 6316 O O . SER B 1 187 ? 16.139 20.257 -43.457 1.00 60.53 ? 269 SER B O 1 ATOM 6317 C CB . SER B 1 187 ? 18.840 19.319 -45.225 1.00 58.85 ? 269 SER B CB 1 ATOM 6318 O OG . SER B 1 187 ? 19.503 18.257 -45.888 1.00 70.27 ? 269 SER B OG 1 ATOM 6319 N N . PHE B 1 188 ? 18.164 20.588 -42.530 1.00 56.20 ? 270 PHE B N 1 ATOM 6320 C CA . PHE B 1 188 ? 17.734 21.712 -41.706 1.00 52.95 ? 270 PHE B CA 1 ATOM 6321 C C . PHE B 1 188 ? 18.619 22.941 -41.887 1.00 50.78 ? 270 PHE B C 1 ATOM 6322 O O . PHE B 1 188 ? 19.841 22.830 -41.986 1.00 56.99 ? 270 PHE B O 1 ATOM 6323 C CB . PHE B 1 188 ? 17.719 21.300 -40.232 1.00 60.67 ? 270 PHE B CB 1 ATOM 6324 C CG . PHE B 1 188 ? 17.212 22.370 -39.305 1.00 63.27 ? 270 PHE B CG 1 ATOM 6325 C CD1 . PHE B 1 188 ? 18.098 23.220 -38.660 1.00 59.44 ? 270 PHE B CD1 1 ATOM 6326 C CD2 . PHE B 1 188 ? 15.856 22.526 -39.073 1.00 63.16 ? 270 PHE B CD2 1 ATOM 6327 C CE1 . PHE B 1 188 ? 17.643 24.205 -37.806 1.00 55.56 ? 270 PHE B CE1 1 ATOM 6328 C CE2 . PHE B 1 188 ? 15.394 23.510 -38.218 1.00 58.72 ? 270 PHE B CE2 1 ATOM 6329 C CZ . PHE B 1 188 ? 16.289 24.350 -37.584 1.00 57.32 ? 270 PHE B CZ 1 ATOM 6330 N N . SER B 1 189 ? 17.991 24.111 -41.932 1.00 44.85 ? 271 SER B N 1 ATOM 6331 C CA . SER B 1 189 ? 18.716 25.370 -42.053 1.00 59.91 ? 271 SER B CA 1 ATOM 6332 C C . SER B 1 189 ? 17.861 26.512 -41.519 1.00 61.87 ? 271 SER B C 1 ATOM 6333 O O . SER B 1 189 ? 16.635 26.406 -41.474 1.00 67.32 ? 271 SER B O 1 ATOM 6334 C CB . SER B 1 189 ? 19.097 25.640 -43.510 1.00 77.41 ? 271 SER B CB 1 ATOM 6335 O OG . SER B 1 189 ? 19.793 26.869 -43.634 1.00 83.90 ? 271 SER B OG 1 ATOM 6336 N N . LEU B 1 190 ? 18.506 27.601 -41.114 1.00 61.56 ? 272 LEU B N 1 ATOM 6337 C CA . LEU B 1 190 ? 17.786 28.761 -40.596 1.00 68.67 ? 272 LEU B CA 1 ATOM 6338 C C . LEU B 1 190 ? 17.006 29.449 -41.709 1.00 76.04 ? 272 LEU B C 1 ATOM 6339 O O . LEU B 1 190 ? 15.865 29.868 -41.516 1.00 81.17 ? 272 LEU B O 1 ATOM 6340 C CB . LEU B 1 190 ? 18.747 29.748 -39.931 1.00 63.37 ? 272 LEU B CB 1 ATOM 6341 C CG . LEU B 1 190 ? 19.647 29.157 -38.845 1.00 59.26 ? 272 LEU B CG 1 ATOM 6342 C CD1 . LEU B 1 190 ? 20.326 30.261 -38.050 1.00 53.22 ? 272 LEU B CD1 1 ATOM 6343 C CD2 . LEU B 1 190 ? 18.854 28.236 -37.931 1.00 57.63 ? 272 LEU B CD2 1 ATOM 6344 N N . LYS B 1 191 ? 17.630 29.560 -42.878 1.00 73.11 ? 273 LYS B N 1 ATOM 6345 C CA . LYS B 1 191 ? 16.958 30.115 -44.043 1.00 64.35 ? 273 LYS B CA 1 ATOM 6346 C C . LYS B 1 191 ? 16.420 28.982 -44.905 1.00 61.28 ? 273 LYS B C 1 ATOM 6347 O O . LYS B 1 191 ? 16.930 28.709 -45.992 1.00 68.15 ? 273 LYS B O 1 ATOM 6348 C CB . LYS B 1 191 ? 17.919 30.991 -44.850 1.00 52.87 ? 273 LYS B CB 1 ATOM 6349 N N . SER B 1 192 ? 15.386 28.324 -44.394 1.00 48.51 ? 274 SER B N 1 ATOM 6350 C CA . SER B 1 192 ? 14.783 27.178 -45.057 1.00 47.60 ? 274 SER B CA 1 ATOM 6351 C C . SER B 1 192 ? 13.349 26.984 -44.579 1.00 59.04 ? 274 SER B C 1 ATOM 6352 O O . SER B 1 192 ? 12.975 27.452 -43.503 1.00 60.67 ? 274 SER B O 1 ATOM 6353 C CB . SER B 1 192 ? 15.603 25.912 -44.801 1.00 46.06 ? 274 SER B CB 1 ATOM 6354 O OG . SER B 1 192 ? 14.987 24.779 -45.386 1.00 48.46 ? 274 SER B OG 1 ATOM 6355 N N . LYS B 1 193 ? 12.551 26.291 -45.383 1.00 65.03 ? 275 LYS B N 1 ATOM 6356 C CA . LYS B 1 193 ? 11.158 26.019 -45.048 1.00 62.26 ? 275 LYS B CA 1 ATOM 6357 C C . LYS B 1 193 ? 11.056 24.907 -44.009 1.00 60.72 ? 275 LYS B C 1 ATOM 6358 O O . LYS B 1 193 ? 10.059 24.796 -43.296 1.00 62.43 ? 275 LYS B O 1 ATOM 6359 C CB . LYS B 1 193 ? 10.369 25.640 -46.303 1.00 62.20 ? 275 LYS B CB 1 ATOM 6360 N N . GLU B 1 194 ? 12.100 24.089 -43.932 1.00 57.93 ? 276 GLU B N 1 ATOM 6361 C CA . GLU B 1 194 ? 12.156 22.975 -42.991 1.00 58.92 ? 276 GLU B CA 1 ATOM 6362 C C . GLU B 1 194 ? 12.319 23.434 -41.543 1.00 59.60 ? 276 GLU B C 1 ATOM 6363 O O . GLU B 1 194 ? 12.089 22.662 -40.611 1.00 57.90 ? 276 GLU B O 1 ATOM 6364 C CB . GLU B 1 194 ? 13.288 22.016 -43.363 1.00 55.69 ? 276 GLU B CB 1 ATOM 6365 C CG . GLU B 1 194 ? 12.909 20.998 -44.430 1.00 61.62 ? 276 GLU B CG 1 ATOM 6366 C CD . GLU B 1 194 ? 11.990 19.906 -43.909 1.00 72.66 ? 276 GLU B CD 1 ATOM 6367 O OE1 . GLU B 1 194 ? 11.788 19.826 -42.679 1.00 68.71 ? 276 GLU B OE1 1 ATOM 6368 O OE2 . GLU B 1 194 ? 11.463 19.130 -44.733 1.00 82.86 ? 276 GLU B OE2 1 ATOM 6369 N N . LYS B 1 195 ? 12.736 24.683 -41.362 1.00 56.89 ? 277 LYS B N 1 ATOM 6370 C CA . LYS B 1 195 ? 12.893 25.256 -40.029 1.00 61.24 ? 277 LYS B CA 1 ATOM 6371 C C . LYS B 1 195 ? 11.563 25.232 -39.281 1.00 61.37 ? 277 LYS B C 1 ATOM 6372 O O . LYS B 1 195 ? 11.515 24.981 -38.077 1.00 60.13 ? 277 LYS B O 1 ATOM 6373 C CB . LYS B 1 195 ? 13.415 26.693 -40.112 1.00 64.23 ? 277 LYS B CB 1 ATOM 6374 C CG . LYS B 1 195 ? 13.391 27.436 -38.781 1.00 57.60 ? 277 LYS B CG 1 ATOM 6375 C CD . LYS B 1 195 ? 13.353 28.943 -38.979 1.00 58.05 ? 277 LYS B CD 1 ATOM 6376 C CE . LYS B 1 195 ? 13.032 29.653 -37.674 1.00 56.53 ? 277 LYS B CE 1 ATOM 6377 N NZ . LYS B 1 195 ? 12.879 31.122 -37.855 1.00 58.85 ? 277 LYS B NZ 1 ATOM 6378 N N . PHE B 1 196 ? 10.482 25.487 -40.011 1.00 60.25 ? 278 PHE B N 1 ATOM 6379 C CA . PHE B 1 196 ? 9.152 25.579 -39.423 1.00 54.16 ? 278 PHE B CA 1 ATOM 6380 C C . PHE B 1 196 ? 8.477 24.216 -39.281 1.00 54.38 ? 278 PHE B C 1 ATOM 6381 O O . PHE B 1 196 ? 7.275 24.136 -39.029 1.00 62.57 ? 278 PHE B O 1 ATOM 6382 C CB . PHE B 1 196 ? 8.276 26.525 -40.247 1.00 37.23 ? 278 PHE B CB 1 ATOM 6383 C CG . PHE B 1 196 ? 8.792 27.934 -40.298 1.00 36.56 ? 278 PHE B CG 1 ATOM 6384 C CD1 . PHE B 1 196 ? 9.760 28.301 -41.219 1.00 51.78 ? 278 PHE B CD1 1 ATOM 6385 C CD2 . PHE B 1 196 ? 8.315 28.893 -39.420 1.00 49.40 ? 278 PHE B CD2 1 ATOM 6386 C CE1 . PHE B 1 196 ? 10.239 29.595 -41.266 1.00 51.51 ? 278 PHE B CE1 1 ATOM 6387 C CE2 . PHE B 1 196 ? 8.789 30.191 -39.462 1.00 49.69 ? 278 PHE B CE2 1 ATOM 6388 C CZ . PHE B 1 196 ? 9.753 30.542 -40.387 1.00 51.54 ? 278 PHE B CZ 1 ATOM 6389 N N . ASN B 1 197 ? 9.249 23.148 -39.456 1.00 51.73 ? 279 ASN B N 1 ATOM 6390 C CA . ASN B 1 197 ? 8.733 21.792 -39.297 1.00 55.61 ? 279 ASN B CA 1 ATOM 6391 C C . ASN B 1 197 ? 8.815 21.337 -37.842 1.00 56.78 ? 279 ASN B C 1 ATOM 6392 O O . ASN B 1 197 ? 9.907 21.226 -37.283 1.00 69.99 ? 279 ASN B O 1 ATOM 6393 C CB . ASN B 1 197 ? 9.488 20.821 -40.207 1.00 61.68 ? 279 ASN B CB 1 ATOM 6394 C CG . ASN B 1 197 ? 8.917 19.417 -40.168 1.00 64.07 ? 279 ASN B CG 1 ATOM 6395 O OD1 . ASN B 1 197 ? 7.774 19.206 -39.763 1.00 68.67 ? 279 ASN B OD1 1 ATOM 6396 N ND2 . ASN B 1 197 ? 9.717 18.445 -40.591 1.00 60.78 ? 279 ASN B ND2 1 ATOM 6397 N N . PRO B 1 198 ? 7.653 21.076 -37.221 1.00 48.98 ? 280 PRO B N 1 ATOM 6398 C CA . PRO B 1 198 ? 7.566 20.706 -35.802 1.00 51.49 ? 280 PRO B CA 1 ATOM 6399 C C . PRO B 1 198 ? 8.224 19.369 -35.468 1.00 55.38 ? 280 PRO B C 1 ATOM 6400 O O . PRO B 1 198 ? 8.371 19.045 -34.290 1.00 68.81 ? 280 PRO B O 1 ATOM 6401 C CB . PRO B 1 198 ? 6.057 20.613 -35.559 1.00 50.89 ? 280 PRO B CB 1 ATOM 6402 C CG . PRO B 1 198 ? 5.446 21.482 -36.601 1.00 46.47 ? 280 PRO B CG 1 ATOM 6403 C CD . PRO B 1 198 ? 6.323 21.319 -37.807 1.00 42.68 ? 280 PRO B CD 1 ATOM 6404 N N . LEU B 1 199 ? 8.611 18.606 -36.484 1.00 49.99 ? 281 LEU B N 1 ATOM 6405 C CA . LEU B 1 199 ? 9.232 17.303 -36.264 1.00 55.24 ? 281 LEU B CA 1 ATOM 6406 C C . LEU B 1 199 ? 10.696 17.407 -35.851 1.00 53.90 ? 281 LEU B C 1 ATOM 6407 O O . LEU B 1 199 ? 11.305 16.417 -35.441 1.00 50.36 ? 281 LEU B O 1 ATOM 6408 C CB . LEU B 1 199 ? 9.094 16.426 -37.508 1.00 59.16 ? 281 LEU B CB 1 ATOM 6409 C CG . LEU B 1 199 ? 8.172 15.215 -37.365 1.00 67.85 ? 281 LEU B CG 1 ATOM 6410 C CD1 . LEU B 1 199 ? 6.823 15.624 -36.790 1.00 72.18 ? 281 LEU B CD1 1 ATOM 6411 C CD2 . LEU B 1 199 ? 8.001 14.505 -38.700 1.00 76.13 ? 281 LEU B CD2 1 ATOM 6412 N N . TRP B 1 200 ? 11.260 18.604 -35.962 1.00 49.21 ? 282 TRP B N 1 ATOM 6413 C CA . TRP B 1 200 ? 12.652 18.820 -35.594 1.00 54.07 ? 282 TRP B CA 1 ATOM 6414 C C . TRP B 1 200 ? 12.760 19.099 -34.100 1.00 52.08 ? 282 TRP B C 1 ATOM 6415 O O . TRP B 1 200 ? 13.653 18.592 -33.421 1.00 41.10 ? 282 TRP B O 1 ATOM 6416 C CB . TRP B 1 200 ? 13.255 19.985 -36.383 1.00 53.26 ? 282 TRP B CB 1 ATOM 6417 C CG . TRP B 1 200 ? 13.411 19.703 -37.847 1.00 58.75 ? 282 TRP B CG 1 ATOM 6418 C CD1 . TRP B 1 200 ? 12.543 20.047 -38.840 1.00 66.19 ? 282 TRP B CD1 1 ATOM 6419 C CD2 . TRP B 1 200 ? 14.484 18.994 -38.479 1.00 58.90 ? 282 TRP B CD2 1 ATOM 6420 N NE1 . TRP B 1 200 ? 13.015 19.612 -40.054 1.00 72.44 ? 282 TRP B NE1 1 ATOM 6421 C CE2 . TRP B 1 200 ? 14.204 18.960 -39.860 1.00 63.82 ? 282 TRP B CE2 1 ATOM 6422 C CE3 . TRP B 1 200 ? 15.655 18.389 -38.014 1.00 55.30 ? 282 TRP B CE3 1 ATOM 6423 C CZ2 . TRP B 1 200 ? 15.052 18.347 -40.778 1.00 56.38 ? 282 TRP B CZ2 1 ATOM 6424 C CZ3 . TRP B 1 200 ? 16.495 17.781 -38.928 1.00 50.73 ? 282 TRP B CZ3 1 ATOM 6425 C CH2 . TRP B 1 200 ? 16.190 17.764 -40.293 1.00 51.39 ? 282 TRP B CH2 1 ATOM 6426 N N . TYR B 1 201 ? 11.838 19.916 -33.601 1.00 50.25 ? 283 TYR B N 1 ATOM 6427 C CA . TYR B 1 201 ? 11.872 20.379 -32.219 1.00 50.21 ? 283 TYR B CA 1 ATOM 6428 C C . TYR B 1 201 ? 11.310 19.348 -31.241 1.00 53.84 ? 283 TYR B C 1 ATOM 6429 O O . TYR B 1 201 ? 10.108 19.084 -31.230 1.00 58.54 ? 283 TYR B O 1 ATOM 6430 C CB . TYR B 1 201 ? 11.111 21.700 -32.090 1.00 53.22 ? 283 TYR B CB 1 ATOM 6431 C CG . TYR B 1 201 ? 11.602 22.790 -33.016 1.00 54.95 ? 283 TYR B CG 1 ATOM 6432 C CD1 . TYR B 1 201 ? 11.146 22.870 -34.326 1.00 56.42 ? 283 TYR B CD1 1 ATOM 6433 C CD2 . TYR B 1 201 ? 12.513 23.743 -32.581 1.00 52.42 ? 283 TYR B CD2 1 ATOM 6434 C CE1 . TYR B 1 201 ? 11.588 23.861 -35.177 1.00 55.67 ? 283 TYR B CE1 1 ATOM 6435 C CE2 . TYR B 1 201 ? 12.961 24.742 -33.426 1.00 52.03 ? 283 TYR B CE2 1 ATOM 6436 C CZ . TYR B 1 201 ? 12.495 24.796 -34.723 1.00 50.29 ? 283 TYR B CZ 1 ATOM 6437 O OH . TYR B 1 201 ? 12.936 25.788 -35.569 1.00 42.06 ? 283 TYR B OH 1 ATOM 6438 N N . LYS B 1 202 ? 12.184 18.772 -30.422 1.00 49.87 ? 284 LYS B N 1 ATOM 6439 C CA . LYS B 1 202 ? 11.766 17.832 -29.388 1.00 47.15 ? 284 LYS B CA 1 ATOM 6440 C C . LYS B 1 202 ? 11.728 18.513 -28.027 1.00 45.74 ? 284 LYS B C 1 ATOM 6441 O O . LYS B 1 202 ? 11.963 19.717 -27.919 1.00 40.35 ? 284 LYS B O 1 ATOM 6442 C CB . LYS B 1 202 ? 12.709 16.628 -29.341 1.00 44.44 ? 284 LYS B CB 1 ATOM 6443 C CG . LYS B 1 202 ? 12.679 15.766 -30.591 1.00 55.60 ? 284 LYS B CG 1 ATOM 6444 C CD . LYS B 1 202 ? 11.294 15.172 -30.800 1.00 75.36 ? 284 LYS B CD 1 ATOM 6445 C CE . LYS B 1 202 ? 11.253 14.264 -32.016 1.00 89.29 ? 284 LYS B CE 1 ATOM 6446 N NZ . LYS B 1 202 ? 12.209 13.129 -31.890 1.00 93.63 ? 284 LYS B NZ 1 ATOM 6447 N N . GLY B 1 203 ? 11.433 17.737 -26.989 1.00 47.83 ? 285 GLY B N 1 ATOM 6448 C CA . GLY B 1 203 ? 11.378 18.270 -25.641 1.00 43.26 ? 285 GLY B CA 1 ATOM 6449 C C . GLY B 1 203 ? 10.190 19.185 -25.419 1.00 42.89 ? 285 GLY B C 1 ATOM 6450 O O . GLY B 1 203 ? 9.192 19.110 -26.134 1.00 51.20 ? 285 GLY B O 1 ATOM 6451 N N . GLN B 1 204 ? 10.302 20.054 -24.421 1.00 42.92 ? 286 GLN B N 1 ATOM 6452 C CA . GLN B 1 204 ? 9.229 20.979 -24.080 1.00 41.70 ? 286 GLN B CA 1 ATOM 6453 C C . GLN B 1 204 ? 9.784 22.316 -23.603 1.00 35.72 ? 286 GLN B C 1 ATOM 6454 O O . GLN B 1 204 ? 10.286 22.423 -22.485 1.00 38.24 ? 286 GLN B O 1 ATOM 6455 C CB . GLN B 1 204 ? 8.317 20.371 -23.013 1.00 33.81 ? 286 GLN B CB 1 ATOM 6456 C CG . GLN B 1 204 ? 7.251 21.321 -22.493 1.00 34.39 ? 286 GLN B CG 1 ATOM 6457 C CD . GLN B 1 204 ? 6.305 20.656 -21.514 1.00 50.74 ? 286 GLN B CD 1 ATOM 6458 O OE1 . GLN B 1 204 ? 5.786 19.571 -21.775 1.00 65.27 ? 286 GLN B OE1 1 ATOM 6459 N NE2 . GLN B 1 204 ? 6.083 21.300 -20.376 1.00 49.19 ? 286 GLN B NE2 1 ATOM 6460 N N . PRO B 1 205 ? 9.703 23.343 -24.463 1.00 36.33 ? 287 PRO B N 1 ATOM 6461 C CA . PRO B 1 205 ? 10.169 24.691 -24.119 1.00 43.12 ? 287 PRO B CA 1 ATOM 6462 C C . PRO B 1 205 ? 9.301 25.329 -23.040 1.00 47.40 ? 287 PRO B C 1 ATOM 6463 O O . PRO B 1 205 ? 8.198 24.851 -22.776 1.00 45.34 ? 287 PRO B O 1 ATOM 6464 C CB . PRO B 1 205 ? 10.052 25.457 -25.441 1.00 49.83 ? 287 PRO B CB 1 ATOM 6465 C CG . PRO B 1 205 ? 9.064 24.693 -26.245 1.00 54.92 ? 287 PRO B CG 1 ATOM 6466 C CD . PRO B 1 205 ? 9.234 23.258 -25.856 1.00 50.26 ? 287 PRO B CD 1 ATOM 6467 N N . ILE B 1 206 ? 9.808 26.394 -22.425 1.00 46.90 ? 288 ILE B N 1 ATOM 6468 C CA . ILE B 1 206 ? 9.158 27.012 -21.271 1.00 46.09 ? 288 ILE B CA 1 ATOM 6469 C C . ILE B 1 206 ? 7.754 27.562 -21.562 1.00 42.35 ? 288 ILE B C 1 ATOM 6470 O O . ILE B 1 206 ? 6.866 27.480 -20.712 1.00 29.29 ? 288 ILE B O 1 ATOM 6471 C CB . ILE B 1 206 ? 10.061 28.114 -20.658 1.00 45.09 ? 288 ILE B CB 1 ATOM 6472 C CG1 . ILE B 1 206 ? 9.447 28.666 -19.371 1.00 51.87 ? 288 ILE B CG1 1 ATOM 6473 C CG2 . ILE B 1 206 ? 10.327 29.226 -21.662 1.00 39.74 ? 288 ILE B CG2 1 ATOM 6474 C CD1 . ILE B 1 206 ? 9.828 27.889 -18.131 1.00 51.73 ? 288 ILE B CD1 1 ATOM 6475 N N . TRP B 1 207 ? 7.548 28.110 -22.756 1.00 47.23 ? 289 TRP B N 1 ATOM 6476 C CA . TRP B 1 207 ? 6.250 28.679 -23.115 1.00 47.57 ? 289 TRP B CA 1 ATOM 6477 C C . TRP B 1 207 ? 5.173 27.606 -23.270 1.00 49.35 ? 289 TRP B C 1 ATOM 6478 O O . TRP B 1 207 ? 3.989 27.869 -23.057 1.00 51.05 ? 289 TRP B O 1 ATOM 6479 C CB . TRP B 1 207 ? 6.349 29.545 -24.375 1.00 36.94 ? 289 TRP B CB 1 ATOM 6480 C CG . TRP B 1 207 ? 6.941 28.849 -25.556 1.00 45.56 ? 289 TRP B CG 1 ATOM 6481 C CD1 . TRP B 1 207 ? 6.335 27.925 -26.354 1.00 46.65 ? 289 TRP B CD1 1 ATOM 6482 C CD2 . TRP B 1 207 ? 8.264 29.024 -26.076 1.00 48.67 ? 289 TRP B CD2 1 ATOM 6483 N NE1 . TRP B 1 207 ? 7.198 27.512 -27.340 1.00 46.85 ? 289 TRP B NE1 1 ATOM 6484 C CE2 . TRP B 1 207 ? 8.389 28.172 -27.191 1.00 46.47 ? 289 TRP B CE2 1 ATOM 6485 C CE3 . TRP B 1 207 ? 9.354 29.818 -25.708 1.00 38.19 ? 289 TRP B CE3 1 ATOM 6486 C CZ2 . TRP B 1 207 ? 9.561 28.091 -27.939 1.00 40.36 ? 289 TRP B CZ2 1 ATOM 6487 C CZ3 . TRP B 1 207 ? 10.515 29.736 -26.452 1.00 24.09 ? 289 TRP B CZ3 1 ATOM 6488 C CH2 . TRP B 1 207 ? 10.610 28.879 -27.555 1.00 30.93 ? 289 TRP B CH2 1 ATOM 6489 N N . VAL B 1 208 ? 5.588 26.400 -23.645 1.00 39.12 ? 290 VAL B N 1 ATOM 6490 C CA . VAL B 1 208 ? 4.675 25.267 -23.710 1.00 39.69 ? 290 VAL B CA 1 ATOM 6491 C C . VAL B 1 208 ? 4.328 24.823 -22.293 1.00 40.81 ? 290 VAL B C 1 ATOM 6492 O O . VAL B 1 208 ? 3.175 24.512 -21.992 1.00 38.95 ? 290 VAL B O 1 ATOM 6493 C CB . VAL B 1 208 ? 5.289 24.089 -24.494 1.00 42.34 ? 290 VAL B CB 1 ATOM 6494 C CG1 . VAL B 1 208 ? 4.427 22.841 -24.361 1.00 50.57 ? 290 VAL B CG1 1 ATOM 6495 C CG2 . VAL B 1 208 ? 5.464 24.464 -25.957 1.00 39.23 ? 290 VAL B CG2 1 ATOM 6496 N N . THR B 1 209 ? 5.335 24.806 -21.425 1.00 44.19 ? 291 THR B N 1 ATOM 6497 C CA . THR B 1 209 ? 5.134 24.459 -20.024 1.00 47.37 ? 291 THR B CA 1 ATOM 6498 C C . THR B 1 209 ? 4.189 25.451 -19.355 1.00 52.17 ? 291 THR B C 1 ATOM 6499 O O . THR B 1 209 ? 3.283 25.061 -18.617 1.00 53.12 ? 291 THR B O 1 ATOM 6500 C CB . THR B 1 209 ? 6.474 24.433 -19.262 1.00 43.62 ? 291 THR B CB 1 ATOM 6501 O OG1 . THR B 1 209 ? 7.350 23.472 -19.865 1.00 29.35 ? 291 THR B OG1 1 ATOM 6502 C CG2 . THR B 1 209 ? 6.258 24.065 -17.805 1.00 49.97 ? 291 THR B CG2 1 ATOM 6503 N N . ALA B 1 210 ? 4.410 26.736 -19.616 1.00 54.26 ? 292 ALA B N 1 ATOM 6504 C CA . ALA B 1 210 ? 3.573 27.790 -19.058 1.00 51.34 ? 292 ALA B CA 1 ATOM 6505 C C . ALA B 1 210 ? 2.140 27.677 -19.570 1.00 59.86 ? 292 ALA B C 1 ATOM 6506 O O . ALA B 1 210 ? 1.186 27.950 -18.842 1.00 63.42 ? 292 ALA B O 1 ATOM 6507 C CB . ALA B 1 210 ? 4.148 29.155 -19.392 1.00 39.26 ? 292 ALA B CB 1 ATOM 6508 N N . ASN B 1 211 ? 2.002 27.275 -20.831 1.00 57.94 ? 293 ASN B N 1 ATOM 6509 C CA . ASN B 1 211 ? 0.691 27.138 -21.457 1.00 48.95 ? 293 ASN B CA 1 ATOM 6510 C C . ASN B 1 211 ? -0.132 26.017 -20.842 1.00 48.88 ? 293 ASN B C 1 ATOM 6511 O O . ASN B 1 211 ? -1.346 26.143 -20.679 1.00 53.90 ? 293 ASN B O 1 ATOM 6512 C CB . ASN B 1 211 ? 0.842 26.917 -22.963 1.00 42.10 ? 293 ASN B CB 1 ATOM 6513 C CG . ASN B 1 211 ? -0.493 26.823 -23.674 1.00 48.75 ? 293 ASN B CG 1 ATOM 6514 O OD1 . ASN B 1 211 ? -1.032 25.732 -23.863 1.00 50.95 ? 293 ASN B OD1 1 ATOM 6515 N ND2 . ASN B 1 211 ? -1.033 27.968 -24.074 1.00 52.83 ? 293 ASN B ND2 1 ATOM 6516 N N . HIS B 1 212 ? 0.534 24.918 -20.503 1.00 45.77 ? 294 HIS B N 1 ATOM 6517 C CA . HIS B 1 212 ? -0.140 23.780 -19.896 1.00 46.21 ? 294 HIS B CA 1 ATOM 6518 C C . HIS B 1 212 ? -0.582 24.114 -18.476 1.00 51.29 ? 294 HIS B C 1 ATOM 6519 O O . HIS B 1 212 ? -1.490 23.485 -17.935 1.00 50.85 ? 294 HIS B O 1 ATOM 6520 C CB . HIS B 1 212 ? 0.769 22.550 -19.894 1.00 45.85 ? 294 HIS B CB 1 ATOM 6521 C CG . HIS B 1 212 ? 1.070 22.018 -21.261 1.00 52.55 ? 294 HIS B CG 1 ATOM 6522 N ND1 . HIS B 1 212 ? 1.786 20.859 -21.468 1.00 56.03 ? 294 HIS B ND1 1 ATOM 6523 C CD2 . HIS B 1 212 ? 0.748 22.487 -22.490 1.00 53.15 ? 294 HIS B CD2 1 ATOM 6524 C CE1 . HIS B 1 212 ? 1.895 20.638 -22.766 1.00 58.90 ? 294 HIS B CE1 1 ATOM 6525 N NE2 . HIS B 1 212 ? 1.273 21.611 -23.408 1.00 57.30 ? 294 HIS B NE2 1 ATOM 6526 N N . GLN B 1 213 ? 0.071 25.105 -17.876 1.00 53.06 ? 295 GLN B N 1 ATOM 6527 C CA . GLN B 1 213 ? -0.250 25.522 -16.516 1.00 47.57 ? 295 GLN B CA 1 ATOM 6528 C C . GLN B 1 213 ? -0.867 26.919 -16.474 1.00 45.16 ? 295 GLN B C 1 ATOM 6529 O O . GLN B 1 213 ? -0.749 27.629 -15.474 1.00 44.86 ? 295 GLN B O 1 ATOM 6530 C CB . GLN B 1 213 ? 0.996 25.447 -15.632 1.00 44.05 ? 295 GLN B CB 1 ATOM 6531 C CG . GLN B 1 213 ? 1.548 24.039 -15.482 1.00 55.21 ? 295 GLN B CG 1 ATOM 6532 C CD . GLN B 1 213 ? 2.961 24.011 -14.934 1.00 61.83 ? 295 GLN B CD 1 ATOM 6533 O OE1 . GLN B 1 213 ? 3.226 24.516 -13.843 1.00 67.95 ? 295 GLN B OE1 1 ATOM 6534 N NE2 . GLN B 1 213 ? 3.873 23.404 -15.682 1.00 55.02 ? 295 GLN B NE2 1 ATOM 6535 N N . GLU B 1 214 ? -1.513 27.305 -17.571 1.00 52.40 ? 296 GLU B N 1 ATOM 6536 C CA . GLU B 1 214 ? -2.280 28.549 -17.650 1.00 61.33 ? 296 GLU B CA 1 ATOM 6537 C C . GLU B 1 214 ? -1.474 29.818 -17.374 1.00 55.81 ? 296 GLU B C 1 ATOM 6538 O O . GLU B 1 214 ? -1.878 30.656 -16.567 1.00 55.27 ? 296 GLU B O 1 ATOM 6539 C CB . GLU B 1 214 ? -3.493 28.483 -16.717 1.00 69.53 ? 296 GLU B CB 1 ATOM 6540 C CG . GLU B 1 214 ? -4.392 27.283 -16.962 1.00 77.27 ? 296 GLU B CG 1 ATOM 6541 C CD . GLU B 1 214 ? -5.527 27.190 -15.962 1.00 86.65 ? 296 GLU B CD 1 ATOM 6542 O OE1 . GLU B 1 214 ? -5.694 28.135 -15.162 1.00 92.77 ? 296 GLU B OE1 1 ATOM 6543 O OE2 . GLU B 1 214 ? -6.255 26.175 -15.980 1.00 85.70 ? 296 GLU B OE2 1 ATOM 6544 N N . VAL B 1 215 ? -0.335 29.955 -18.043 1.00 47.05 ? 297 VAL B N 1 ATOM 6545 C CA . VAL B 1 215 ? 0.477 31.162 -17.931 1.00 43.01 ? 297 VAL B CA 1 ATOM 6546 C C . VAL B 1 215 ? 0.781 31.723 -19.317 1.00 42.47 ? 297 VAL B C 1 ATOM 6547 O O . VAL B 1 215 ? 1.403 31.057 -20.145 1.00 35.87 ? 297 VAL B O 1 ATOM 6548 C CB . VAL B 1 215 ? 1.794 30.903 -17.171 1.00 45.98 ? 297 VAL B CB 1 ATOM 6549 C CG1 . VAL B 1 215 ? 2.694 32.130 -17.232 1.00 43.62 ? 297 VAL B CG1 1 ATOM 6550 C CG2 . VAL B 1 215 ? 1.509 30.519 -15.727 1.00 42.08 ? 297 VAL B CG2 1 ATOM 6551 N N . LYS B 1 216 ? 0.342 32.954 -19.561 1.00 53.39 ? 298 LYS B N 1 ATOM 6552 C CA . LYS B 1 216 ? 0.518 33.586 -20.864 1.00 51.06 ? 298 LYS B CA 1 ATOM 6553 C C . LYS B 1 216 ? 1.976 33.950 -21.125 1.00 48.27 ? 298 LYS B C 1 ATOM 6554 O O . LYS B 1 216 ? 2.728 34.255 -20.200 1.00 37.08 ? 298 LYS B O 1 ATOM 6555 C CB . LYS B 1 216 ? -0.370 34.829 -20.979 1.00 39.30 ? 298 LYS B CB 1 ATOM 6556 N N . SER B 1 217 ? 2.366 33.918 -22.396 1.00 55.28 ? 299 SER B N 1 ATOM 6557 C CA . SER B 1 217 ? 3.743 34.194 -22.786 1.00 51.62 ? 299 SER B CA 1 ATOM 6558 C C . SER B 1 217 ? 3.825 34.983 -24.088 1.00 57.97 ? 299 SER B C 1 ATOM 6559 O O . SER B 1 217 ? 3.169 34.648 -25.076 1.00 63.08 ? 299 SER B O 1 ATOM 6560 C CB . SER B 1 217 ? 4.527 32.885 -22.916 1.00 34.88 ? 299 SER B CB 1 ATOM 6561 O OG . SER B 1 217 ? 3.864 31.974 -23.777 1.00 28.46 ? 299 SER B OG 1 ATOM 6562 N N . GLY B 1 218 ? 4.637 36.033 -24.078 1.00 52.66 ? 300 GLY B N 1 ATOM 6563 C CA . GLY B 1 218 ? 4.833 36.864 -25.248 1.00 50.45 ? 300 GLY B CA 1 ATOM 6564 C C . GLY B 1 218 ? 6.295 36.869 -25.646 1.00 52.89 ? 300 GLY B C 1 ATOM 6565 O O . GLY B 1 218 ? 7.131 37.464 -24.968 1.00 53.49 ? 300 GLY B O 1 ATOM 6566 N N . THR B 1 219 ? 6.604 36.208 -26.755 1.00 56.16 ? 301 THR B N 1 ATOM 6567 C CA . THR B 1 219 ? 7.988 36.055 -27.184 1.00 50.37 ? 301 THR B CA 1 ATOM 6568 C C . THR B 1 219 ? 8.298 36.945 -28.375 1.00 43.81 ? 301 THR B C 1 ATOM 6569 O O . THR B 1 219 ? 7.393 37.406 -29.069 1.00 35.33 ? 301 THR B O 1 ATOM 6570 C CB . THR B 1 219 ? 8.299 34.602 -27.557 1.00 51.59 ? 301 THR B CB 1 ATOM 6571 O OG1 . THR B 1 219 ? 9.693 34.471 -27.856 1.00 68.62 ? 301 THR B OG1 1 ATOM 6572 C CG2 . THR B 1 219 ? 7.490 34.204 -28.770 1.00 45.72 ? 301 THR B CG2 1 ATOM 6573 N N . TYR B 1 220 ? 9.582 37.197 -28.601 1.00 58.59 ? 302 TYR B N 1 ATOM 6574 C CA . TYR B 1 220 ? 9.991 38.012 -29.734 1.00 61.79 ? 302 TYR B CA 1 ATOM 6575 C C . TYR B 1 220 ? 11.306 37.500 -30.321 1.00 58.36 ? 302 TYR B C 1 ATOM 6576 O O . TYR B 1 220 ? 12.375 37.732 -29.755 1.00 62.21 ? 302 TYR B O 1 ATOM 6577 C CB . TYR B 1 220 ? 10.122 39.477 -29.321 1.00 57.91 ? 302 TYR B CB 1 ATOM 6578 C CG . TYR B 1 220 ? 9.843 40.442 -30.449 1.00 72.42 ? 302 TYR B CG 1 ATOM 6579 C CD1 . TYR B 1 220 ? 8.539 40.686 -30.862 1.00 81.18 ? 302 TYR B CD1 1 ATOM 6580 C CD2 . TYR B 1 220 ? 10.872 41.108 -31.099 1.00 74.70 ? 302 TYR B CD2 1 ATOM 6581 C CE1 . TYR B 1 220 ? 8.265 41.564 -31.891 1.00 76.88 ? 302 TYR B CE1 1 ATOM 6582 C CE2 . TYR B 1 220 ? 10.606 41.989 -32.132 1.00 73.33 ? 302 TYR B CE2 1 ATOM 6583 C CZ . TYR B 1 220 ? 9.301 42.214 -32.522 1.00 71.91 ? 302 TYR B CZ 1 ATOM 6584 O OH . TYR B 1 220 ? 9.030 43.091 -33.547 1.00 66.24 ? 302 TYR B OH 1 ATOM 6585 N N . PHE B 1 221 ? 11.213 36.787 -31.439 1.00 49.80 ? 303 PHE B N 1 ATOM 6586 C CA . PHE B 1 221 ? 12.385 36.286 -32.162 1.00 57.73 ? 303 PHE B CA 1 ATOM 6587 C C . PHE B 1 221 ? 13.234 35.288 -31.376 1.00 59.69 ? 303 PHE B C 1 ATOM 6588 O O . PHE B 1 221 ? 14.458 35.397 -31.358 1.00 73.53 ? 303 PHE B O 1 ATOM 6589 C CB . PHE B 1 221 ? 13.275 37.437 -32.650 1.00 59.70 ? 303 PHE B CB 1 ATOM 6590 C CG . PHE B 1 221 ? 12.626 38.326 -33.670 1.00 56.44 ? 303 PHE B CG 1 ATOM 6591 C CD1 . PHE B 1 221 ? 11.495 37.918 -34.355 1.00 61.70 ? 303 PHE B CD1 1 ATOM 6592 C CD2 . PHE B 1 221 ? 13.154 39.578 -33.940 1.00 51.27 ? 303 PHE B CD2 1 ATOM 6593 C CE1 . PHE B 1 221 ? 10.903 38.744 -35.290 1.00 70.26 ? 303 PHE B CE1 1 ATOM 6594 C CE2 . PHE B 1 221 ? 12.567 40.407 -34.873 1.00 56.81 ? 303 PHE B CE2 1 ATOM 6595 C CZ . PHE B 1 221 ? 11.441 39.991 -35.549 1.00 66.37 ? 303 PHE B CZ 1 ATOM 6596 N N . TRP B 1 222 ? 12.597 34.308 -30.745 1.00 38.12 ? 304 TRP B N 1 ATOM 6597 C CA . TRP B 1 222 ? 13.358 33.251 -30.089 1.00 32.11 ? 304 TRP B CA 1 ATOM 6598 C C . TRP B 1 222 ? 13.287 31.965 -30.906 1.00 37.10 ? 304 TRP B C 1 ATOM 6599 O O . TRP B 1 222 ? 12.215 31.583 -31.368 1.00 52.88 ? 304 TRP B O 1 ATOM 6600 C CB . TRP B 1 222 ? 12.852 33.003 -28.667 1.00 41.60 ? 304 TRP B CB 1 ATOM 6601 C CG . TRP B 1 222 ? 13.792 32.179 -27.838 1.00 51.44 ? 304 TRP B CG 1 ATOM 6602 C CD1 . TRP B 1 222 ? 13.857 30.816 -27.771 1.00 52.18 ? 304 TRP B CD1 1 ATOM 6603 C CD2 . TRP B 1 222 ? 14.799 32.673 -26.947 1.00 40.70 ? 304 TRP B CD2 1 ATOM 6604 N NE1 . TRP B 1 222 ? 14.847 30.433 -26.898 1.00 41.35 ? 304 TRP B NE1 1 ATOM 6605 C CE2 . TRP B 1 222 ? 15.439 31.554 -26.378 1.00 41.29 ? 304 TRP B CE2 1 ATOM 6606 C CE3 . TRP B 1 222 ? 15.222 33.953 -26.578 1.00 29.26 ? 304 TRP B CE3 1 ATOM 6607 C CZ2 . TRP B 1 222 ? 16.479 31.678 -25.459 1.00 44.67 ? 304 TRP B CZ2 1 ATOM 6608 C CZ3 . TRP B 1 222 ? 16.253 34.074 -25.667 1.00 34.49 ? 304 TRP B CZ3 1 ATOM 6609 C CH2 . TRP B 1 222 ? 16.871 32.943 -25.118 1.00 43.30 ? 304 TRP B CH2 1 ATOM 6610 N N . PRO B 1 223 ? 14.438 31.302 -31.104 1.00 39.36 ? 305 PRO B N 1 ATOM 6611 C CA . PRO B 1 223 ? 14.484 30.056 -31.876 1.00 42.21 ? 305 PRO B CA 1 ATOM 6612 C C . PRO B 1 223 ? 13.509 29.002 -31.356 1.00 42.71 ? 305 PRO B C 1 ATOM 6613 O O . PRO B 1 223 ? 13.664 28.512 -30.238 1.00 44.89 ? 305 PRO B O 1 ATOM 6614 C CB . PRO B 1 223 ? 15.925 29.586 -31.676 1.00 34.55 ? 305 PRO B CB 1 ATOM 6615 C CG . PRO B 1 223 ? 16.691 30.851 -31.489 1.00 37.95 ? 305 PRO B CG 1 ATOM 6616 C CD . PRO B 1 223 ? 15.781 31.747 -30.695 1.00 40.56 ? 305 PRO B CD 1 ATOM 6617 N N . GLY B 1 224 ? 12.519 28.661 -32.172 1.00 48.39 ? 306 GLY B N 1 ATOM 6618 C CA . GLY B 1 224 ? 11.529 27.667 -31.802 1.00 47.15 ? 306 GLY B CA 1 ATOM 6619 C C . GLY B 1 224 ? 10.187 28.270 -31.431 1.00 42.15 ? 306 GLY B C 1 ATOM 6620 O O . GLY B 1 224 ? 9.219 27.549 -31.190 1.00 41.89 ? 306 GLY B O 1 ATOM 6621 N N . SER B 1 225 ? 10.127 29.598 -31.387 1.00 40.28 ? 307 SER B N 1 ATOM 6622 C CA . SER B 1 225 ? 8.893 30.298 -31.044 1.00 44.15 ? 307 SER B CA 1 ATOM 6623 C C . SER B 1 225 ? 7.932 30.458 -32.221 1.00 52.46 ? 307 SER B C 1 ATOM 6624 O O . SER B 1 225 ? 6.717 30.470 -32.034 1.00 56.81 ? 307 SER B O 1 ATOM 6625 C CB . SER B 1 225 ? 9.221 31.674 -30.470 1.00 39.51 ? 307 SER B CB 1 ATOM 6626 O OG . SER B 1 225 ? 10.087 32.392 -31.329 1.00 47.35 ? 307 SER B OG 1 ATOM 6627 N N . ASP B 1 226 ? 8.475 30.601 -33.425 1.00 51.70 ? 308 ASP B N 1 ATOM 6628 C CA . ASP B 1 226 ? 7.659 30.731 -34.630 1.00 39.23 ? 308 ASP B CA 1 ATOM 6629 C C . ASP B 1 226 ? 6.967 29.404 -34.927 1.00 47.40 ? 308 ASP B C 1 ATOM 6630 O O . ASP B 1 226 ? 5.810 29.368 -35.347 1.00 57.97 ? 308 ASP B O 1 ATOM 6631 C CB . ASP B 1 226 ? 8.496 31.173 -35.832 1.00 35.84 ? 308 ASP B CB 1 ATOM 6632 C CG . ASP B 1 226 ? 9.968 30.860 -35.668 1.00 52.85 ? 308 ASP B CG 1 ATOM 6633 O OD1 . ASP B 1 226 ? 10.795 31.580 -36.264 1.00 51.69 ? 308 ASP B OD1 1 ATOM 6634 O OD2 . ASP B 1 226 ? 10.297 29.897 -34.944 1.00 66.41 ? 308 ASP B OD2 1 ATOM 6635 N N . VAL B 1 227 ? 7.693 28.316 -34.697 1.00 49.11 ? 309 VAL B N 1 ATOM 6636 C CA . VAL B 1 227 ? 7.192 26.969 -34.932 1.00 54.09 ? 309 VAL B CA 1 ATOM 6637 C C . VAL B 1 227 ? 6.357 26.491 -33.750 1.00 56.56 ? 309 VAL B C 1 ATOM 6638 O O . VAL B 1 227 ? 6.636 26.835 -32.601 1.00 64.71 ? 309 VAL B O 1 ATOM 6639 C CB . VAL B 1 227 ? 8.354 25.984 -35.152 1.00 58.62 ? 309 VAL B CB 1 ATOM 6640 C CG1 . VAL B 1 227 ? 7.873 24.748 -35.896 1.00 62.18 ? 309 VAL B CG1 1 ATOM 6641 C CG2 . VAL B 1 227 ? 9.490 26.666 -35.902 1.00 65.71 ? 309 VAL B CG2 1 ATOM 6642 N N . GLU B 1 228 ? 5.333 25.694 -34.039 1.00 53.26 ? 310 GLU B N 1 ATOM 6643 C CA . GLU B 1 228 ? 4.479 25.134 -32.999 1.00 62.49 ? 310 GLU B CA 1 ATOM 6644 C C . GLU B 1 228 ? 4.976 23.786 -32.506 1.00 71.04 ? 310 GLU B C 1 ATOM 6645 O O . GLU B 1 228 ? 5.127 22.846 -33.284 1.00 77.52 ? 310 GLU B O 1 ATOM 6646 C CB . GLU B 1 228 ? 3.036 24.987 -33.501 1.00 68.02 ? 310 GLU B CB 1 ATOM 6647 C CG . GLU B 1 228 ? 2.169 26.225 -33.391 1.00 79.50 ? 310 GLU B CG 1 ATOM 6648 C CD . GLU B 1 228 ? 0.729 25.961 -33.792 1.00 93.33 ? 310 GLU B CD 1 ATOM 6649 O OE1 . GLU B 1 228 ? -0.164 26.701 -33.327 1.00 99.84 ? 310 GLU B OE1 1 ATOM 6650 O OE2 . GLU B 1 228 ? 0.490 25.014 -34.571 1.00 95.91 ? 310 GLU B OE2 1 ATOM 6651 N N . ILE B 1 229 ? 5.232 23.702 -31.204 1.00 68.32 ? 311 ILE B N 1 ATOM 6652 C CA . ILE B 1 229 ? 5.665 22.452 -30.601 1.00 60.87 ? 311 ILE B CA 1 ATOM 6653 C C . ILE B 1 229 ? 4.485 21.873 -29.837 1.00 58.60 ? 311 ILE B C 1 ATOM 6654 O O . ILE B 1 229 ? 3.869 22.567 -29.026 1.00 48.38 ? 311 ILE B O 1 ATOM 6655 C CB . ILE B 1 229 ? 6.858 22.658 -29.649 1.00 51.72 ? 311 ILE B CB 1 ATOM 6656 C CG1 . ILE B 1 229 ? 7.965 23.458 -30.344 1.00 35.15 ? 311 ILE B CG1 1 ATOM 6657 C CG2 . ILE B 1 229 ? 7.386 21.321 -29.154 1.00 59.67 ? 311 ILE B CG2 1 ATOM 6658 N N . ASP B 1 230 ? 4.178 20.605 -30.100 1.00 65.42 ? 312 ASP B N 1 ATOM 6659 C CA . ASP B 1 230 ? 3.024 19.934 -29.501 1.00 70.99 ? 312 ASP B CA 1 ATOM 6660 C C . ASP B 1 230 ? 1.738 20.709 -29.784 1.00 61.06 ? 312 ASP B C 1 ATOM 6661 O O . ASP B 1 230 ? 0.806 20.697 -28.981 1.00 51.00 ? 312 ASP B O 1 ATOM 6662 C CB . ASP B 1 230 ? 3.225 19.724 -27.998 1.00 78.76 ? 312 ASP B CB 1 ATOM 6663 C CG . ASP B 1 230 ? 4.163 18.574 -27.692 1.00 89.80 ? 312 ASP B CG 1 ATOM 6664 O OD1 . ASP B 1 230 ? 5.059 18.301 -28.518 1.00 96.28 ? 312 ASP B OD1 1 ATOM 6665 O OD2 . ASP B 1 230 ? 4.001 17.941 -26.628 1.00 89.37 ? 312 ASP B OD2 1 ATOM 6666 N N . GLY B 1 231 ? 1.699 21.378 -30.932 1.00 59.49 ? 313 GLY B N 1 ATOM 6667 C CA . GLY B 1 231 ? 0.541 22.155 -31.329 1.00 64.24 ? 313 GLY B CA 1 ATOM 6668 C C . GLY B 1 231 ? 0.337 23.377 -30.454 1.00 63.83 ? 313 GLY B C 1 ATOM 6669 O O . GLY B 1 231 ? -0.763 23.927 -30.387 1.00 66.02 ? 313 GLY B O 1 ATOM 6670 N N . ILE B 1 232 ? 1.402 23.810 -29.784 1.00 63.54 ? 314 ILE B N 1 ATOM 6671 C CA . ILE B 1 232 ? 1.309 24.951 -28.882 1.00 61.61 ? 314 ILE B CA 1 ATOM 6672 C C . ILE B 1 232 ? 2.201 26.091 -29.358 1.00 49.64 ? 314 ILE B C 1 ATOM 6673 O O . ILE B 1 232 ? 3.357 25.881 -29.729 1.00 45.48 ? 314 ILE B O 1 ATOM 6674 C CB . ILE B 1 232 ? 1.695 24.566 -27.438 1.00 64.88 ? 314 ILE B CB 1 ATOM 6675 C CG1 . ILE B 1 232 ? 0.858 23.376 -26.959 1.00 65.89 ? 314 ILE B CG1 1 ATOM 6676 C CG2 . ILE B 1 232 ? 1.543 25.757 -26.499 1.00 63.33 ? 314 ILE B CG2 1 ATOM 6677 C CD1 . ILE B 1 232 ? -0.625 23.668 -26.872 1.00 67.15 ? 314 ILE B CD1 1 ATOM 6678 N N . LEU B 1 233 ? 1.655 27.300 -29.337 1.00 44.93 ? 315 LEU B N 1 ATOM 6679 C CA . LEU B 1 233 ? 2.400 28.499 -29.685 1.00 44.93 ? 315 LEU B CA 1 ATOM 6680 C C . LEU B 1 233 ? 2.275 29.524 -28.563 1.00 49.95 ? 315 LEU B C 1 ATOM 6681 O O . LEU B 1 233 ? 1.241 29.589 -27.899 1.00 61.02 ? 315 LEU B O 1 ATOM 6682 C CB . LEU B 1 233 ? 1.863 29.085 -30.993 1.00 51.32 ? 315 LEU B CB 1 ATOM 6683 C CG . LEU B 1 233 ? 2.845 29.686 -32.001 1.00 55.39 ? 315 LEU B CG 1 ATOM 6684 C CD1 . LEU B 1 233 ? 4.079 28.818 -32.132 1.00 56.65 ? 315 LEU B CD1 1 ATOM 6685 C CD2 . LEU B 1 233 ? 2.167 29.837 -33.351 1.00 54.07 ? 315 LEU B CD2 1 ATOM 6686 N N . PRO B 1 234 ? 3.332 30.319 -28.336 1.00 50.70 ? 316 PRO B N 1 ATOM 6687 C CA . PRO B 1 234 ? 3.266 31.398 -27.345 1.00 58.88 ? 316 PRO B CA 1 ATOM 6688 C C . PRO B 1 234 ? 2.136 32.365 -27.684 1.00 61.90 ? 316 PRO B C 1 ATOM 6689 O O . PRO B 1 234 ? 1.897 32.631 -28.861 1.00 59.37 ? 316 PRO B O 1 ATOM 6690 C CB . PRO B 1 234 ? 4.634 32.082 -27.472 1.00 54.39 ? 316 PRO B CB 1 ATOM 6691 C CG . PRO B 1 234 ? 5.204 31.594 -28.768 1.00 54.67 ? 316 PRO B CG 1 ATOM 6692 C CD . PRO B 1 234 ? 4.663 30.223 -28.954 1.00 55.34 ? 316 PRO B CD 1 ATOM 6693 N N . ASP B 1 235 ? 1.465 32.882 -26.659 1.00 63.22 ? 317 ASP B N 1 ATOM 6694 C CA . ASP B 1 235 ? 0.280 33.722 -26.834 1.00 62.09 ? 317 ASP B CA 1 ATOM 6695 C C . ASP B 1 235 ? 0.527 34.936 -27.724 1.00 57.29 ? 317 ASP B C 1 ATOM 6696 O O . ASP B 1 235 ? -0.374 35.396 -28.423 1.00 59.68 ? 317 ASP B O 1 ATOM 6697 C CB . ASP B 1 235 ? -0.254 34.156 -25.469 1.00 64.40 ? 317 ASP B CB 1 ATOM 6698 C CG . ASP B 1 235 ? -0.539 32.978 -24.557 1.00 73.60 ? 317 ASP B CG 1 ATOM 6699 O OD1 . ASP B 1 235 ? 0.202 31.974 -24.635 1.00 72.14 ? 317 ASP B OD1 1 ATOM 6700 O OD2 . ASP B 1 235 ? -1.502 33.054 -23.765 1.00 82.03 ? 317 ASP B OD2 1 ATOM 6701 N N . ILE B 1 236 ? 1.748 35.455 -27.691 1.00 55.20 ? 318 ILE B N 1 ATOM 6702 C CA . ILE B 1 236 ? 2.157 36.508 -28.611 1.00 61.09 ? 318 ILE B CA 1 ATOM 6703 C C . ILE B 1 236 ? 3.527 36.148 -29.171 1.00 72.77 ? 318 ILE B C 1 ATOM 6704 O O . ILE B 1 236 ? 4.509 36.088 -28.431 1.00 79.36 ? 318 ILE B O 1 ATOM 6705 C CB . ILE B 1 236 ? 2.223 37.890 -27.934 1.00 50.64 ? 318 ILE B CB 1 ATOM 6706 C CG1 . ILE B 1 236 ? 0.843 38.299 -27.412 1.00 41.18 ? 318 ILE B CG1 1 ATOM 6707 C CG2 . ILE B 1 236 ? 2.747 38.931 -28.907 1.00 44.62 ? 318 ILE B CG2 1 ATOM 6708 C CD1 . ILE B 1 236 ? 0.819 39.660 -26.751 1.00 45.35 ? 318 ILE B CD1 1 ATOM 6709 N N . TYR B 1 237 ? 3.595 35.907 -30.477 1.00 74.46 ? 319 TYR B N 1 ATOM 6710 C CA . TYR B 1 237 ? 4.856 35.524 -31.102 1.00 70.34 ? 319 TYR B CA 1 ATOM 6711 C C . TYR B 1 237 ? 5.101 36.331 -32.367 1.00 68.40 ? 319 TYR B C 1 ATOM 6712 O O . TYR B 1 237 ? 4.217 37.041 -32.847 1.00 71.60 ? 319 TYR B O 1 ATOM 6713 C CB . TYR B 1 237 ? 4.885 34.029 -31.419 1.00 67.77 ? 319 TYR B CB 1 ATOM 6714 C CG . TYR B 1 237 ? 4.055 33.643 -32.621 1.00 69.45 ? 319 TYR B CG 1 ATOM 6715 C CD1 . TYR B 1 237 ? 2.670 33.606 -32.559 1.00 73.17 ? 319 TYR B CD1 1 ATOM 6716 C CD2 . TYR B 1 237 ? 4.668 33.306 -33.822 1.00 71.29 ? 319 TYR B CD2 1 ATOM 6717 C CE1 . TYR B 1 237 ? 1.919 33.253 -33.667 1.00 83.28 ? 319 TYR B CE1 1 ATOM 6718 C CE2 . TYR B 1 237 ? 3.928 32.949 -34.931 1.00 76.08 ? 319 TYR B CE2 1 ATOM 6719 C CZ . TYR B 1 237 ? 2.554 32.923 -34.849 1.00 87.23 ? 319 TYR B CZ 1 ATOM 6720 O OH . TYR B 1 237 ? 1.813 32.567 -35.952 1.00 98.19 ? 319 TYR B OH 1 ATOM 6721 N N . LYS B 1 238 ? 6.308 36.214 -32.902 1.00 58.76 ? 320 LYS B N 1 ATOM 6722 C CA . LYS B 1 238 ? 6.665 36.901 -34.130 1.00 56.90 ? 320 LYS B CA 1 ATOM 6723 C C . LYS B 1 238 ? 7.618 36.041 -34.949 1.00 58.75 ? 320 LYS B C 1 ATOM 6724 O O . LYS B 1 238 ? 8.702 35.689 -34.482 1.00 58.68 ? 320 LYS B O 1 ATOM 6725 C CB . LYS B 1 238 ? 7.306 38.255 -33.817 1.00 32.15 ? 320 LYS B CB 1 ATOM 6726 N N . VAL B 1 239 ? 7.195 35.687 -36.160 1.00 58.18 ? 321 VAL B N 1 ATOM 6727 C CA . VAL B 1 239 ? 8.044 34.933 -37.073 1.00 49.65 ? 321 VAL B CA 1 ATOM 6728 C C . VAL B 1 239 ? 9.299 35.753 -37.330 1.00 49.17 ? 321 VAL B C 1 ATOM 6729 O O . VAL B 1 239 ? 9.223 36.961 -37.559 1.00 55.44 ? 321 VAL B O 1 ATOM 6730 C CB . VAL B 1 239 ? 7.325 34.613 -38.399 1.00 46.54 ? 321 VAL B CB 1 ATOM 6731 C CG1 . VAL B 1 239 ? 8.236 33.822 -39.325 1.00 43.55 ? 321 VAL B CG1 1 ATOM 6732 C CG2 . VAL B 1 239 ? 6.039 33.847 -38.132 1.00 48.86 ? 321 VAL B CG2 1 ATOM 6733 N N . TYR B 1 240 ? 10.451 35.093 -37.277 1.00 39.16 ? 322 TYR B N 1 ATOM 6734 C CA . TYR B 1 240 ? 11.733 35.788 -37.283 1.00 36.22 ? 322 TYR B CA 1 ATOM 6735 C C . TYR B 1 240 ? 11.973 36.679 -38.500 1.00 39.43 ? 322 TYR B C 1 ATOM 6736 O O . TYR B 1 240 ? 11.853 36.243 -39.645 1.00 44.18 ? 322 TYR B O 1 ATOM 6737 C CB . TYR B 1 240 ? 12.894 34.806 -37.111 1.00 38.67 ? 322 TYR B CB 1 ATOM 6738 C CG . TYR B 1 240 ? 14.233 35.499 -37.025 1.00 41.80 ? 322 TYR B CG 1 ATOM 6739 C CD1 . TYR B 1 240 ? 14.609 36.175 -35.872 1.00 49.16 ? 322 TYR B CD1 1 ATOM 6740 C CD2 . TYR B 1 240 ? 15.113 35.493 -38.097 1.00 38.31 ? 322 TYR B CD2 1 ATOM 6741 C CE1 . TYR B 1 240 ? 15.827 36.818 -35.786 1.00 48.30 ? 322 TYR B CE1 1 ATOM 6742 C CE2 . TYR B 1 240 ? 16.334 36.134 -38.020 1.00 42.47 ? 322 TYR B CE2 1 ATOM 6743 C CZ . TYR B 1 240 ? 16.685 36.794 -36.863 1.00 43.71 ? 322 TYR B CZ 1 ATOM 6744 O OH . TYR B 1 240 ? 17.899 37.431 -36.784 1.00 40.21 ? 322 TYR B OH 1 ATOM 6745 N N . ASN B 1 241 ? 12.314 37.933 -38.226 1.00 40.23 ? 323 ASN B N 1 ATOM 6746 C CA . ASN B 1 241 ? 12.649 38.902 -39.257 1.00 45.97 ? 323 ASN B CA 1 ATOM 6747 C C . ASN B 1 241 ? 13.805 39.752 -38.751 1.00 43.80 ? 323 ASN B C 1 ATOM 6748 O O . ASN B 1 241 ? 13.610 40.687 -37.975 1.00 49.30 ? 323 ASN B O 1 ATOM 6749 C CB . ASN B 1 241 ? 11.435 39.780 -39.584 1.00 57.85 ? 323 ASN B CB 1 ATOM 6750 C CG . ASN B 1 241 ? 11.657 40.675 -40.796 1.00 68.16 ? 323 ASN B CG 1 ATOM 6751 O OD1 . ASN B 1 241 ? 12.728 40.672 -41.402 1.00 64.04 ? 323 ASN B OD1 1 ATOM 6752 N ND2 . ASN B 1 241 ? 10.631 41.450 -41.152 1.00 85.25 ? 323 ASN B ND2 1 ATOM 6753 N N . GLY B 1 242 ? 15.011 39.415 -39.195 1.00 40.48 ? 324 GLY B N 1 ATOM 6754 C CA . GLY B 1 242 ? 16.215 40.087 -38.741 1.00 46.19 ? 324 GLY B CA 1 ATOM 6755 C C . GLY B 1 242 ? 16.326 41.530 -39.193 1.00 47.68 ? 324 GLY B C 1 ATOM 6756 O O . GLY B 1 242 ? 17.218 42.256 -38.756 1.00 44.33 ? 324 GLY B O 1 ATOM 6757 N N . SER B 1 243 ? 15.417 41.944 -40.069 1.00 50.51 ? 325 SER B N 1 ATOM 6758 C CA . SER B 1 243 ? 15.429 43.298 -40.608 1.00 52.16 ? 325 SER B CA 1 ATOM 6759 C C . SER B 1 243 ? 14.767 44.284 -39.654 1.00 54.13 ? 325 SER B C 1 ATOM 6760 O O . SER B 1 243 ? 14.941 45.497 -39.782 1.00 60.13 ? 325 SER B O 1 ATOM 6761 C CB . SER B 1 243 ? 14.735 43.334 -41.970 1.00 55.99 ? 325 SER B CB 1 ATOM 6762 O OG . SER B 1 243 ? 15.322 42.406 -42.864 1.00 55.71 ? 325 SER B OG 1 ATOM 6763 N N . VAL B 1 244 ? 14.003 43.758 -38.701 1.00 44.45 ? 326 VAL B N 1 ATOM 6764 C CA . VAL B 1 244 ? 13.312 44.594 -37.728 1.00 44.74 ? 326 VAL B CA 1 ATOM 6765 C C . VAL B 1 244 ? 14.315 45.320 -36.840 1.00 46.54 ? 326 VAL B C 1 ATOM 6766 O O . VAL B 1 244 ? 15.147 44.683 -36.193 1.00 50.83 ? 326 VAL B O 1 ATOM 6767 C CB . VAL B 1 244 ? 12.360 43.771 -36.839 1.00 44.41 ? 326 VAL B CB 1 ATOM 6768 C CG1 . VAL B 1 244 ? 11.729 44.654 -35.772 1.00 31.07 ? 326 VAL B CG1 1 ATOM 6769 C CG2 . VAL B 1 244 ? 11.292 43.099 -37.686 1.00 49.63 ? 326 VAL B CG2 1 ATOM 6770 N N . PRO B 1 245 ? 14.244 46.660 -36.815 1.00 49.40 ? 327 PRO B N 1 ATOM 6771 C CA . PRO B 1 245 ? 15.161 47.476 -36.012 1.00 54.57 ? 327 PRO B CA 1 ATOM 6772 C C . PRO B 1 245 ? 15.037 47.149 -34.529 1.00 59.43 ? 327 PRO B C 1 ATOM 6773 O O . PRO B 1 245 ? 13.939 46.860 -34.054 1.00 65.76 ? 327 PRO B O 1 ATOM 6774 C CB . PRO B 1 245 ? 14.701 48.910 -36.297 1.00 55.02 ? 327 PRO B CB 1 ATOM 6775 C CG . PRO B 1 245 ? 13.295 48.776 -36.781 1.00 52.18 ? 327 PRO B CG 1 ATOM 6776 C CD . PRO B 1 245 ? 13.260 47.485 -37.535 1.00 51.75 ? 327 PRO B CD 1 ATOM 6777 N N . PHE B 1 246 ? 16.157 47.192 -33.815 1.00 55.64 ? 328 PHE B N 1 ATOM 6778 C CA . PHE B 1 246 ? 16.200 46.796 -32.411 1.00 49.32 ? 328 PHE B CA 1 ATOM 6779 C C . PHE B 1 246 ? 15.281 47.633 -31.527 1.00 42.57 ? 328 PHE B C 1 ATOM 6780 O O . PHE B 1 246 ? 14.605 47.096 -30.650 1.00 42.03 ? 328 PHE B O 1 ATOM 6781 C CB . PHE B 1 246 ? 17.625 46.887 -31.875 1.00 42.90 ? 328 PHE B CB 1 ATOM 6782 C CG . PHE B 1 246 ? 18.594 45.948 -32.535 1.00 35.39 ? 328 PHE B CG 1 ATOM 6783 C CD1 . PHE B 1 246 ? 18.154 44.790 -33.152 1.00 33.96 ? 328 PHE B CD1 1 ATOM 6784 C CD2 . PHE B 1 246 ? 19.953 46.222 -32.526 1.00 34.26 ? 328 PHE B CD2 1 ATOM 6785 C CE1 . PHE B 1 246 ? 19.049 43.929 -33.753 1.00 34.61 ? 328 PHE B CE1 1 ATOM 6786 C CE2 . PHE B 1 246 ? 20.853 45.364 -33.126 1.00 32.96 ? 328 PHE B CE2 1 ATOM 6787 C CZ . PHE B 1 246 ? 20.400 44.215 -33.740 1.00 35.07 ? 328 PHE B CZ 1 ATOM 6788 N N . GLU B 1 247 ? 15.271 48.945 -31.751 1.00 40.50 ? 329 GLU B N 1 ATOM 6789 C CA . GLU B 1 247 ? 14.465 49.858 -30.943 1.00 41.77 ? 329 GLU B CA 1 ATOM 6790 C C . GLU B 1 247 ? 12.989 49.484 -31.004 1.00 42.16 ? 329 GLU B C 1 ATOM 6791 O O . GLU B 1 247 ? 12.245 49.691 -30.047 1.00 38.48 ? 329 GLU B O 1 ATOM 6792 C CB . GLU B 1 247 ? 14.661 51.304 -31.406 1.00 47.75 ? 329 GLU B CB 1 ATOM 6793 C CG . GLU B 1 247 ? 15.714 52.079 -30.627 1.00 56.68 ? 329 GLU B CG 1 ATOM 6794 C CD . GLU B 1 247 ? 17.011 52.245 -31.392 1.00 64.41 ? 329 GLU B CD 1 ATOM 6795 O OE1 . GLU B 1 247 ? 17.871 53.028 -30.936 1.00 63.23 ? 329 GLU B OE1 1 ATOM 6796 O OE2 . GLU B 1 247 ? 17.171 51.595 -32.447 1.00 64.54 ? 329 GLU B OE2 1 ATOM 6797 N N . GLU B 1 248 ? 12.576 48.924 -32.136 1.00 50.07 ? 330 GLU B N 1 ATOM 6798 C CA . GLU B 1 248 ? 11.189 48.530 -32.338 1.00 57.45 ? 330 GLU B CA 1 ATOM 6799 C C . GLU B 1 248 ? 10.860 47.250 -31.578 1.00 51.69 ? 330 GLU B C 1 ATOM 6800 O O . GLU B 1 248 ? 9.713 47.028 -31.189 1.00 47.71 ? 330 GLU B O 1 ATOM 6801 C CB . GLU B 1 248 ? 10.904 48.356 -33.832 1.00 71.09 ? 330 GLU B CB 1 ATOM 6802 C CG . GLU B 1 248 ? 9.447 48.098 -34.174 1.00 74.32 ? 330 GLU B CG 1 ATOM 6803 C CD . GLU B 1 248 ? 9.186 48.151 -35.666 1.00 76.60 ? 330 GLU B CD 1 ATOM 6804 O OE1 . GLU B 1 248 ? 8.201 47.531 -36.120 1.00 79.81 ? 330 GLU B OE1 1 ATOM 6805 O OE2 . GLU B 1 248 ? 9.967 48.811 -36.384 1.00 72.03 ? 330 GLU B OE2 1 ATOM 6806 N N . ARG B 1 249 ? 11.870 46.412 -31.364 1.00 56.84 ? 331 ARG B N 1 ATOM 6807 C CA . ARG B 1 249 ? 11.674 45.164 -30.636 1.00 60.05 ? 331 ARG B CA 1 ATOM 6808 C C . ARG B 1 249 ? 11.411 45.438 -29.160 1.00 56.91 ? 331 ARG B C 1 ATOM 6809 O O . ARG B 1 249 ? 10.571 44.789 -28.537 1.00 54.25 ? 331 ARG B O 1 ATOM 6810 C CB . ARG B 1 249 ? 12.896 44.252 -30.783 1.00 53.40 ? 331 ARG B CB 1 ATOM 6811 C CG . ARG B 1 249 ? 13.376 44.073 -32.216 1.00 42.85 ? 331 ARG B CG 1 ATOM 6812 C CD . ARG B 1 249 ? 14.467 43.018 -32.304 1.00 38.49 ? 331 ARG B CD 1 ATOM 6813 N NE . ARG B 1 249 ? 15.020 42.909 -33.651 1.00 35.52 ? 331 ARG B NE 1 ATOM 6814 C CZ . ARG B 1 249 ? 15.883 41.972 -34.030 1.00 34.10 ? 331 ARG B CZ 1 ATOM 6815 N NH1 . ARG B 1 249 ? 16.291 41.054 -33.165 1.00 30.09 ? 331 ARG B NH1 1 ATOM 6816 N NH2 . ARG B 1 249 ? 16.337 41.951 -35.275 1.00 42.96 ? 331 ARG B NH2 1 ATOM 6817 N N . ILE B 1 250 ? 12.140 46.403 -28.609 1.00 51.02 ? 332 ILE B N 1 ATOM 6818 C CA . ILE B 1 250 ? 11.999 46.772 -27.207 1.00 55.67 ? 332 ILE B CA 1 ATOM 6819 C C . ILE B 1 250 ? 10.636 47.401 -26.938 1.00 60.70 ? 332 ILE B C 1 ATOM 6820 O O . ILE B 1 250 ? 9.956 47.046 -25.974 1.00 62.35 ? 332 ILE B O 1 ATOM 6821 C CB . ILE B 1 250 ? 13.099 47.759 -26.778 1.00 63.15 ? 332 ILE B CB 1 ATOM 6822 C CG1 . ILE B 1 250 ? 14.484 47.209 -27.132 1.00 58.03 ? 332 ILE B CG1 1 ATOM 6823 C CG2 . ILE B 1 250 ? 12.996 48.060 -25.289 1.00 69.47 ? 332 ILE B CG2 1 ATOM 6824 C CD1 . ILE B 1 250 ? 14.804 45.887 -26.478 1.00 47.32 ? 332 ILE B CD1 1 ATOM 6825 N N . LEU B 1 251 ? 10.248 48.339 -27.797 1.00 65.69 ? 333 LEU B N 1 ATOM 6826 C CA . LEU B 1 251 ? 8.973 49.035 -27.659 1.00 67.22 ? 333 LEU B CA 1 ATOM 6827 C C . LEU B 1 251 ? 7.792 48.081 -27.782 1.00 62.08 ? 333 LEU B C 1 ATOM 6828 O O . LEU B 1 251 ? 6.759 48.278 -27.145 1.00 67.39 ? 333 LEU B O 1 ATOM 6829 C CB . LEU B 1 251 ? 8.854 50.146 -28.704 1.00 69.22 ? 333 LEU B CB 1 ATOM 6830 C CG . LEU B 1 251 ? 9.866 51.287 -28.597 1.00 64.68 ? 333 LEU B CG 1 ATOM 6831 C CD1 . LEU B 1 251 ? 9.627 52.324 -29.683 1.00 64.08 ? 333 LEU B CD1 1 ATOM 6832 C CD2 . LEU B 1 251 ? 9.806 51.927 -27.218 1.00 57.02 ? 333 LEU B CD2 1 ATOM 6833 N N . ALA B 1 252 ? 7.949 47.053 -28.609 1.00 52.49 ? 334 ALA B N 1 ATOM 6834 C CA . ALA B 1 252 ? 6.900 46.060 -28.798 1.00 51.40 ? 334 ALA B CA 1 ATOM 6835 C C . ALA B 1 252 ? 6.596 45.341 -27.489 1.00 54.63 ? 334 ALA B C 1 ATOM 6836 O O . ALA B 1 252 ? 5.435 45.124 -27.145 1.00 49.23 ? 334 ALA B O 1 ATOM 6837 C CB . ALA B 1 252 ? 7.299 45.065 -29.876 1.00 49.01 ? 334 ALA B CB 1 ATOM 6838 N N . VAL B 1 253 ? 7.646 44.984 -26.757 1.00 57.59 ? 335 VAL B N 1 ATOM 6839 C CA . VAL B 1 253 ? 7.494 44.308 -25.473 1.00 53.68 ? 335 VAL B CA 1 ATOM 6840 C C . VAL B 1 253 ? 6.943 45.239 -24.393 1.00 51.12 ? 335 VAL B C 1 ATOM 6841 O O . VAL B 1 253 ? 6.102 44.837 -23.589 1.00 55.27 ? 335 VAL B O 1 ATOM 6842 C CB . VAL B 1 253 ? 8.837 43.714 -25.001 1.00 51.06 ? 335 VAL B CB 1 ATOM 6843 C CG1 . VAL B 1 253 ? 8.693 43.077 -23.626 1.00 47.35 ? 335 VAL B CG1 1 ATOM 6844 C CG2 . VAL B 1 253 ? 9.347 42.697 -26.010 1.00 50.95 ? 335 VAL B CG2 1 ATOM 6845 N N . LEU B 1 254 ? 7.406 46.486 -24.389 1.00 46.65 ? 336 LEU B N 1 ATOM 6846 C CA . LEU B 1 254 ? 6.920 47.475 -23.432 1.00 49.55 ? 336 LEU B CA 1 ATOM 6847 C C . LEU B 1 254 ? 5.429 47.760 -23.601 1.00 55.56 ? 336 LEU B C 1 ATOM 6848 O O . LEU B 1 254 ? 4.735 48.052 -22.630 1.00 59.59 ? 336 LEU B O 1 ATOM 6849 C CB . LEU B 1 254 ? 7.719 48.775 -23.551 1.00 41.44 ? 336 LEU B CB 1 ATOM 6850 C CG . LEU B 1 254 ? 9.162 48.725 -23.046 1.00 31.24 ? 336 LEU B CG 1 ATOM 6851 C CD1 . LEU B 1 254 ? 9.867 50.050 -23.292 1.00 26.43 ? 336 LEU B CD1 1 ATOM 6852 C CD2 . LEU B 1 254 ? 9.201 48.354 -21.572 1.00 25.36 ? 336 LEU B CD2 1 ATOM 6853 N N . GLU B 1 255 ? 4.946 47.673 -24.836 1.00 50.59 ? 337 GLU B N 1 ATOM 6854 C CA . GLU B 1 255 ? 3.530 47.879 -25.126 1.00 50.28 ? 337 GLU B CA 1 ATOM 6855 C C . GLU B 1 255 ? 2.699 46.699 -24.635 1.00 50.05 ? 337 GLU B C 1 ATOM 6856 O O . GLU B 1 255 ? 1.553 46.869 -24.222 1.00 51.41 ? 337 GLU B O 1 ATOM 6857 C CB . GLU B 1 255 ? 3.305 48.109 -26.620 1.00 63.36 ? 337 GLU B CB 1 ATOM 6858 C CG . GLU B 1 255 ? 3.789 49.476 -27.090 1.00 74.82 ? 337 GLU B CG 1 ATOM 6859 C CD . GLU B 1 255 ? 3.555 49.712 -28.568 1.00 84.74 ? 337 GLU B CD 1 ATOM 6860 O OE1 . GLU B 1 255 ? 3.994 50.765 -29.078 1.00 90.36 ? 337 GLU B OE1 1 ATOM 6861 O OE2 . GLU B 1 255 ? 2.932 48.849 -29.221 1.00 84.04 ? 337 GLU B OE2 1 ATOM 6862 N N . TRP B 1 256 ? 3.276 45.503 -24.686 1.00 53.56 ? 338 TRP B N 1 ATOM 6863 C CA . TRP B 1 256 ? 2.579 44.306 -24.229 1.00 57.31 ? 338 TRP B CA 1 ATOM 6864 C C . TRP B 1 256 ? 2.416 44.353 -22.714 1.00 64.42 ? 338 TRP B C 1 ATOM 6865 O O . TRP B 1 256 ? 1.449 43.826 -22.169 1.00 63.47 ? 338 TRP B O 1 ATOM 6866 C CB . TRP B 1 256 ? 3.323 43.035 -24.647 1.00 55.99 ? 338 TRP B CB 1 ATOM 6867 C CG . TRP B 1 256 ? 3.556 42.906 -26.126 1.00 66.96 ? 338 TRP B CG 1 ATOM 6868 C CD1 . TRP B 1 256 ? 2.931 43.602 -27.120 1.00 74.04 ? 338 TRP B CD1 1 ATOM 6869 C CD2 . TRP B 1 256 ? 4.474 42.017 -26.775 1.00 67.00 ? 338 TRP B CD2 1 ATOM 6870 N NE1 . TRP B 1 256 ? 3.408 43.206 -28.347 1.00 70.33 ? 338 TRP B NE1 1 ATOM 6871 C CE2 . TRP B 1 256 ? 4.355 42.233 -28.162 1.00 64.54 ? 338 TRP B CE2 1 ATOM 6872 C CE3 . TRP B 1 256 ? 5.386 41.060 -26.318 1.00 67.53 ? 338 TRP B CE3 1 ATOM 6873 C CZ2 . TRP B 1 256 ? 5.113 41.531 -29.095 1.00 59.66 ? 338 TRP B CZ2 1 ATOM 6874 C CZ3 . TRP B 1 256 ? 6.137 40.363 -27.246 1.00 62.69 ? 338 TRP B CZ3 1 ATOM 6875 C CH2 . TRP B 1 256 ? 5.995 40.601 -28.619 1.00 57.40 ? 338 TRP B CH2 1 ATOM 6876 N N . LEU B 1 257 ? 3.378 44.975 -22.038 1.00 74.03 ? 339 LEU B N 1 ATOM 6877 C CA . LEU B 1 257 ? 3.329 45.127 -20.585 1.00 76.89 ? 339 LEU B CA 1 ATOM 6878 C C . LEU B 1 257 ? 2.151 45.998 -20.139 1.00 78.11 ? 339 LEU B C 1 ATOM 6879 O O . LEU B 1 257 ? 1.808 46.034 -18.955 1.00 79.78 ? 339 LEU B O 1 ATOM 6880 C CB . LEU B 1 257 ? 4.634 45.740 -20.076 1.00 78.35 ? 339 LEU B CB 1 ATOM 6881 C CG . LEU B 1 257 ? 5.581 44.834 -19.287 1.00 78.11 ? 339 LEU B CG 1 ATOM 6882 C CD1 . LEU B 1 257 ? 5.854 43.557 -20.048 1.00 74.01 ? 339 LEU B CD1 1 ATOM 6883 C CD2 . LEU B 1 257 ? 6.873 45.562 -18.974 1.00 81.16 ? 339 LEU B CD2 1 ATOM 6884 N N . GLN B 1 258 ? 1.532 46.691 -21.089 1.00 74.45 ? 340 GLN B N 1 ATOM 6885 C CA . GLN B 1 258 ? 0.442 47.608 -20.778 1.00 69.11 ? 340 GLN B CA 1 ATOM 6886 C C . GLN B 1 258 ? -0.909 46.972 -21.080 1.00 72.01 ? 340 GLN B C 1 ATOM 6887 O O . GLN B 1 258 ? -1.956 47.572 -20.837 1.00 76.81 ? 340 GLN B O 1 ATOM 6888 C CB . GLN B 1 258 ? 0.609 48.926 -21.538 1.00 62.64 ? 340 GLN B CB 1 ATOM 6889 C CG . GLN B 1 258 ? 2.043 49.420 -21.623 1.00 52.76 ? 340 GLN B CG 1 ATOM 6890 C CD . GLN B 1 258 ? 2.130 50.891 -21.982 1.00 53.52 ? 340 GLN B CD 1 ATOM 6891 O OE1 . GLN B 1 258 ? 2.318 51.744 -21.115 1.00 55.25 ? 340 GLN B OE1 1 ATOM 6892 N NE2 . GLN B 1 258 ? 1.995 51.195 -23.267 1.00 48.88 ? 340 GLN B NE2 1 ATOM 6893 N N . LEU B 1 259 ? -0.873 45.758 -21.620 1.00 69.99 ? 341 LEU B N 1 ATOM 6894 C CA . LEU B 1 259 ? -2.089 45.019 -21.934 1.00 68.82 ? 341 LEU B CA 1 ATOM 6895 C C . LEU B 1 259 ? -2.867 44.719 -20.656 1.00 64.67 ? 341 LEU B C 1 ATOM 6896 O O . LEU B 1 259 ? -2.274 44.623 -19.582 1.00 53.38 ? 341 LEU B O 1 ATOM 6897 C CB . LEU B 1 259 ? -1.746 43.719 -22.672 1.00 61.66 ? 341 LEU B CB 1 ATOM 6898 C CG . LEU B 1 259 ? -1.856 43.727 -24.200 1.00 61.30 ? 341 LEU B CG 1 ATOM 6899 C CD1 . LEU B 1 259 ? -1.068 44.880 -24.803 1.00 60.69 ? 341 LEU B CD1 1 ATOM 6900 C CD2 . LEU B 1 259 ? -1.385 42.399 -24.774 1.00 53.97 ? 341 LEU B CD2 1 ATOM 6901 N N . PRO B 1 260 ? -4.200 44.586 -20.766 1.00 71.09 ? 342 PRO B N 1 ATOM 6902 C CA . PRO B 1 260 ? -5.058 44.249 -19.623 1.00 69.98 ? 342 PRO B CA 1 ATOM 6903 C C . PRO B 1 260 ? -4.585 42.997 -18.883 1.00 63.67 ? 342 PRO B C 1 ATOM 6904 O O . PRO B 1 260 ? -3.970 42.118 -19.487 1.00 58.64 ? 342 PRO B O 1 ATOM 6905 C CB . PRO B 1 260 ? -6.417 43.995 -20.277 1.00 76.87 ? 342 PRO B CB 1 ATOM 6906 C CG . PRO B 1 260 ? -6.403 44.857 -21.488 1.00 76.36 ? 342 PRO B CG 1 ATOM 6907 C CD . PRO B 1 260 ? -4.988 44.820 -21.991 1.00 72.74 ? 342 PRO B CD 1 ATOM 6908 N N . SER B 1 261 ? -4.880 42.930 -17.588 1.00 66.77 ? 343 SER B N 1 ATOM 6909 C CA . SER B 1 261 ? -4.399 41.859 -16.715 1.00 68.40 ? 343 SER B CA 1 ATOM 6910 C C . SER B 1 261 ? -4.758 40.453 -17.199 1.00 75.96 ? 343 SER B C 1 ATOM 6911 O O . SER B 1 261 ? -4.082 39.482 -16.860 1.00 77.90 ? 343 SER B O 1 ATOM 6912 C CB . SER B 1 261 ? -4.918 42.063 -15.291 1.00 69.78 ? 343 SER B CB 1 ATOM 6913 O OG . SER B 1 261 ? -4.528 40.991 -14.451 1.00 77.04 ? 343 SER B OG 1 ATOM 6914 N N . HIS B 1 262 ? -5.821 40.351 -17.988 1.00 83.21 ? 344 HIS B N 1 ATOM 6915 C CA . HIS B 1 262 ? -6.286 39.062 -18.491 1.00 85.51 ? 344 HIS B CA 1 ATOM 6916 C C . HIS B 1 262 ? -5.642 38.708 -19.829 1.00 83.94 ? 344 HIS B C 1 ATOM 6917 O O . HIS B 1 262 ? -5.605 37.541 -20.221 1.00 83.45 ? 344 HIS B O 1 ATOM 6918 C CB . HIS B 1 262 ? -7.812 39.058 -18.617 1.00 88.04 ? 344 HIS B CB 1 ATOM 6919 N N . GLU B 1 263 ? -5.139 39.720 -20.528 1.00 81.98 ? 345 GLU B N 1 ATOM 6920 C CA . GLU B 1 263 ? -4.549 39.518 -21.847 1.00 82.18 ? 345 GLU B CA 1 ATOM 6921 C C . GLU B 1 263 ? -3.057 39.841 -21.860 1.00 82.42 ? 345 GLU B C 1 ATOM 6922 O O . GLU B 1 263 ? -2.449 39.952 -22.923 1.00 80.66 ? 345 GLU B O 1 ATOM 6923 C CB . GLU B 1 263 ? -5.276 40.361 -22.895 1.00 82.13 ? 345 GLU B CB 1 ATOM 6924 N N . ARG B 1 264 ? -2.470 39.990 -20.676 1.00 83.02 ? 346 ARG B N 1 ATOM 6925 C CA . ARG B 1 264 ? -1.049 40.314 -20.565 1.00 72.81 ? 346 ARG B CA 1 ATOM 6926 C C . ARG B 1 264 ? -0.185 39.086 -20.295 1.00 67.52 ? 346 ARG B C 1 ATOM 6927 O O . ARG B 1 264 ? -0.441 38.336 -19.353 1.00 68.69 ? 346 ARG B O 1 ATOM 6928 C CB . ARG B 1 264 ? -0.827 41.345 -19.458 1.00 58.48 ? 346 ARG B CB 1 ATOM 6929 C CG . ARG B 1 264 ? 0.625 41.761 -19.283 1.00 47.03 ? 346 ARG B CG 1 ATOM 6930 C CD . ARG B 1 264 ? 0.806 42.684 -18.090 1.00 52.52 ? 346 ARG B CD 1 ATOM 6931 N NE . ARG B 1 264 ? 0.360 42.067 -16.843 1.00 60.00 ? 346 ARG B NE 1 ATOM 6932 C CZ . ARG B 1 264 ? -0.435 42.660 -15.958 1.00 61.98 ? 346 ARG B CZ 1 ATOM 6933 N NH1 . ARG B 1 264 ? -0.873 43.892 -16.177 1.00 64.64 ? 346 ARG B NH1 1 ATOM 6934 N NH2 . ARG B 1 264 ? -0.791 42.021 -14.852 1.00 59.46 ? 346 ARG B NH2 1 ATOM 6935 N N . PRO B 1 265 ? 0.843 38.875 -21.133 1.00 58.31 ? 347 PRO B N 1 ATOM 6936 C CA . PRO B 1 265 ? 1.762 37.745 -20.944 1.00 53.64 ? 347 PRO B CA 1 ATOM 6937 C C . PRO B 1 265 ? 2.560 37.883 -19.648 1.00 59.60 ? 347 PRO B C 1 ATOM 6938 O O . PRO B 1 265 ? 2.759 39.000 -19.168 1.00 60.61 ? 347 PRO B O 1 ATOM 6939 C CB . PRO B 1 265 ? 2.705 37.822 -22.151 1.00 40.60 ? 347 PRO B CB 1 ATOM 6940 C CG . PRO B 1 265 ? 2.275 38.973 -22.973 1.00 41.39 ? 347 PRO B CG 1 ATOM 6941 C CD . PRO B 1 265 ? 1.154 39.694 -22.316 1.00 49.24 ? 347 PRO B CD 1 ATOM 6942 N N . HIS B 1 266 ? 3.003 36.764 -19.083 1.00 59.68 ? 348 HIS B N 1 ATOM 6943 C CA . HIS B 1 266 ? 3.754 36.793 -17.833 1.00 60.92 ? 348 HIS B CA 1 ATOM 6944 C C . HIS B 1 266 ? 5.219 36.437 -18.072 1.00 52.78 ? 348 HIS B C 1 ATOM 6945 O O . HIS B 1 266 ? 6.077 36.700 -17.228 1.00 50.55 ? 348 HIS B O 1 ATOM 6946 C CB . HIS B 1 266 ? 3.132 35.831 -16.822 1.00 70.01 ? 348 HIS B CB 1 ATOM 6947 C CG . HIS B 1 266 ? 3.505 36.134 -15.405 1.00 77.44 ? 348 HIS B CG 1 ATOM 6948 N ND1 . HIS B 1 266 ? 3.948 35.171 -14.524 1.00 81.85 ? 348 HIS B ND1 1 ATOM 6949 C CD2 . HIS B 1 266 ? 3.504 37.301 -14.716 1.00 76.77 ? 348 HIS B CD2 1 ATOM 6950 C CE1 . HIS B 1 266 ? 4.202 35.730 -13.355 1.00 80.44 ? 348 HIS B CE1 1 ATOM 6951 N NE2 . HIS B 1 266 ? 3.941 37.022 -13.444 1.00 78.96 ? 348 HIS B NE2 1 ATOM 6952 N N . PHE B 1 267 ? 5.495 35.842 -19.227 1.00 40.82 ? 349 PHE B N 1 ATOM 6953 C CA . PHE B 1 267 ? 6.857 35.491 -19.617 1.00 33.30 ? 349 PHE B CA 1 ATOM 6954 C C . PHE B 1 267 ? 7.215 36.155 -20.939 1.00 36.32 ? 349 PHE B C 1 ATOM 6955 O O . PHE B 1 267 ? 6.426 36.145 -21.883 1.00 44.48 ? 349 PHE B O 1 ATOM 6956 C CB . PHE B 1 267 ? 7.015 33.974 -19.724 1.00 35.16 ? 349 PHE B CB 1 ATOM 6957 C CG . PHE B 1 267 ? 8.313 33.542 -20.345 1.00 33.30 ? 349 PHE B CG 1 ATOM 6958 C CD1 . PHE B 1 267 ? 9.505 33.658 -19.648 1.00 33.70 ? 349 PHE B CD1 1 ATOM 6959 C CD2 . PHE B 1 267 ? 8.341 33.018 -21.626 1.00 30.08 ? 349 PHE B CD2 1 ATOM 6960 C CE1 . PHE B 1 267 ? 10.702 33.258 -20.217 1.00 32.15 ? 349 PHE B CE1 1 ATOM 6961 C CE2 . PHE B 1 267 ? 9.533 32.618 -22.199 1.00 36.15 ? 349 PHE B CE2 1 ATOM 6962 C CZ . PHE B 1 267 ? 10.715 32.739 -21.494 1.00 32.71 ? 349 PHE B CZ 1 ATOM 6963 N N . TYR B 1 268 ? 8.411 36.730 -21.004 1.00 34.14 ? 350 TYR B N 1 ATOM 6964 C CA . TYR B 1 268 ? 8.816 37.488 -22.179 1.00 42.83 ? 350 TYR B CA 1 ATOM 6965 C C . TYR B 1 268 ? 10.213 37.113 -22.658 1.00 47.45 ? 350 TYR B C 1 ATOM 6966 O O . TYR B 1 268 ? 11.073 36.733 -21.863 1.00 51.70 ? 350 TYR B O 1 ATOM 6967 C CB . TYR B 1 268 ? 8.777 38.987 -21.876 1.00 48.50 ? 350 TYR B CB 1 ATOM 6968 C CG . TYR B 1 268 ? 7.420 39.498 -21.455 1.00 50.92 ? 350 TYR B CG 1 ATOM 6969 C CD1 . TYR B 1 268 ? 7.003 39.400 -20.133 1.00 53.59 ? 350 TYR B CD1 1 ATOM 6970 C CD2 . TYR B 1 268 ? 6.557 40.080 -22.371 1.00 52.28 ? 350 TYR B CD2 1 ATOM 6971 C CE1 . TYR B 1 268 ? 5.767 39.863 -19.739 1.00 58.72 ? 350 TYR B CE1 1 ATOM 6972 C CE2 . TYR B 1 268 ? 5.317 40.548 -21.984 1.00 56.89 ? 350 TYR B CE2 1 ATOM 6973 C CZ . TYR B 1 268 ? 4.927 40.434 -20.668 1.00 55.30 ? 350 TYR B CZ 1 ATOM 6974 O OH . TYR B 1 268 ? 3.695 40.900 -20.273 1.00 47.59 ? 350 TYR B OH 1 ATOM 6975 N N . THR B 1 269 ? 10.430 37.221 -23.966 1.00 48.00 ? 351 THR B N 1 ATOM 6976 C CA . THR B 1 269 ? 11.750 37.002 -24.543 1.00 42.19 ? 351 THR B CA 1 ATOM 6977 C C . THR B 1 269 ? 12.159 38.174 -25.427 1.00 41.84 ? 351 THR B C 1 ATOM 6978 O O . THR B 1 269 ? 11.313 38.866 -25.995 1.00 35.69 ? 351 THR B O 1 ATOM 6979 C CB . THR B 1 269 ? 11.818 35.710 -25.387 1.00 32.94 ? 351 THR B CB 1 ATOM 6980 O OG1 . THR B 1 269 ? 11.172 35.924 -26.646 1.00 30.64 ? 351 THR B OG1 1 ATOM 6981 C CG2 . THR B 1 269 ? 11.155 34.548 -24.666 1.00 27.90 ? 351 THR B CG2 1 ATOM 6982 N N . LEU B 1 270 ? 13.465 38.390 -25.536 1.00 42.19 ? 352 LEU B N 1 ATOM 6983 C CA . LEU B 1 270 ? 14.012 39.413 -26.415 1.00 31.40 ? 352 LEU B CA 1 ATOM 6984 C C . LEU B 1 270 ? 15.299 38.912 -27.055 1.00 30.99 ? 352 LEU B C 1 ATOM 6985 O O . LEU B 1 270 ? 16.142 38.322 -26.380 1.00 38.50 ? 352 LEU B O 1 ATOM 6986 C CB . LEU B 1 270 ? 14.275 40.708 -25.646 1.00 30.18 ? 352 LEU B CB 1 ATOM 6987 C CG . LEU B 1 270 ? 13.153 41.749 -25.654 1.00 31.28 ? 352 LEU B CG 1 ATOM 6988 C CD1 . LEU B 1 270 ? 13.504 42.918 -24.751 1.00 33.62 ? 352 LEU B CD1 1 ATOM 6989 C CD2 . LEU B 1 270 ? 12.877 42.228 -27.070 1.00 26.64 ? 352 LEU B CD2 1 ATOM 6990 N N . TYR B 1 271 ? 15.450 39.140 -28.355 1.00 36.84 ? 353 TYR B N 1 ATOM 6991 C CA . TYR B 1 271 ? 16.638 38.676 -29.062 1.00 37.68 ? 353 TYR B CA 1 ATOM 6992 C C . TYR B 1 271 ? 17.238 39.747 -29.958 1.00 26.45 ? 353 TYR B C 1 ATOM 6993 O O . TYR B 1 271 ? 16.527 40.431 -30.694 1.00 23.37 ? 353 TYR B O 1 ATOM 6994 C CB . TYR B 1 271 ? 16.332 37.423 -29.887 1.00 40.93 ? 353 TYR B CB 1 ATOM 6995 C CG . TYR B 1 271 ? 17.459 37.044 -30.823 1.00 40.64 ? 353 TYR B CG 1 ATOM 6996 C CD1 . TYR B 1 271 ? 17.431 37.409 -32.165 1.00 34.88 ? 353 TYR B CD1 1 ATOM 6997 C CD2 . TYR B 1 271 ? 18.561 36.337 -30.359 1.00 32.44 ? 353 TYR B CD2 1 ATOM 6998 C CE1 . TYR B 1 271 ? 18.465 37.074 -33.018 1.00 38.98 ? 353 TYR B CE1 1 ATOM 6999 C CE2 . TYR B 1 271 ? 19.599 35.996 -31.205 1.00 39.37 ? 353 TYR B CE2 1 ATOM 7000 C CZ . TYR B 1 271 ? 19.546 36.367 -32.533 1.00 42.77 ? 353 TYR B CZ 1 ATOM 7001 O OH . TYR B 1 271 ? 20.578 36.031 -33.379 1.00 45.68 ? 353 TYR B OH 1 ATOM 7002 N N . LEU B 1 272 ? 18.558 39.880 -29.887 1.00 28.11 ? 354 LEU B N 1 ATOM 7003 C CA . LEU B 1 272 ? 19.302 40.802 -30.734 1.00 32.19 ? 354 LEU B CA 1 ATOM 7004 C C . LEU B 1 272 ? 20.435 40.047 -31.422 1.00 40.25 ? 354 LEU B C 1 ATOM 7005 O O . LEU B 1 272 ? 21.076 39.191 -30.814 1.00 40.43 ? 354 LEU B O 1 ATOM 7006 C CB . LEU B 1 272 ? 19.859 41.961 -29.904 1.00 34.90 ? 354 LEU B CB 1 ATOM 7007 C CG . LEU B 1 272 ? 18.989 43.211 -29.719 1.00 30.66 ? 354 LEU B CG 1 ATOM 7008 C CD1 . LEU B 1 272 ? 17.684 42.910 -29.005 1.00 30.97 ? 354 LEU B CD1 1 ATOM 7009 C CD2 . LEU B 1 272 ? 19.756 44.283 -28.971 1.00 33.24 ? 354 LEU B CD2 1 ATOM 7010 N N . GLU B 1 273 ? 20.679 40.365 -32.690 1.00 44.02 ? 355 GLU B N 1 ATOM 7011 C CA . GLU B 1 273 ? 21.724 39.695 -33.461 1.00 38.77 ? 355 GLU B CA 1 ATOM 7012 C C . GLU B 1 273 ? 23.126 40.183 -33.107 1.00 42.91 ? 355 GLU B C 1 ATOM 7013 O O . GLU B 1 273 ? 24.121 39.596 -33.531 1.00 42.01 ? 355 GLU B O 1 ATOM 7014 C CB . GLU B 1 273 ? 21.480 39.854 -34.964 1.00 34.22 ? 355 GLU B CB 1 ATOM 7015 C CG . GLU B 1 273 ? 20.253 39.129 -35.485 1.00 42.56 ? 355 GLU B CG 1 ATOM 7016 C CD . GLU B 1 273 ? 18.983 39.946 -35.341 1.00 40.78 ? 355 GLU B CD 1 ATOM 7017 O OE1 . GLU B 1 273 ? 19.084 41.143 -35.002 1.00 40.63 ? 355 GLU B OE1 1 ATOM 7018 O OE2 . GLU B 1 273 ? 17.887 39.394 -35.575 1.00 27.50 ? 355 GLU B OE2 1 ATOM 7019 N N . GLU B 1 274 ? 23.197 41.261 -32.335 1.00 50.66 ? 356 GLU B N 1 ATOM 7020 C CA . GLU B 1 274 ? 24.475 41.821 -31.912 1.00 45.59 ? 356 GLU B CA 1 ATOM 7021 C C . GLU B 1 274 ? 24.847 41.306 -30.521 1.00 47.66 ? 356 GLU B C 1 ATOM 7022 O O . GLU B 1 274 ? 23.962 41.005 -29.720 1.00 55.73 ? 356 GLU B O 1 ATOM 7023 C CB . GLU B 1 274 ? 24.414 43.350 -31.918 1.00 38.88 ? 356 GLU B CB 1 ATOM 7024 C CG . GLU B 1 274 ? 24.361 43.959 -33.315 1.00 38.91 ? 356 GLU B CG 1 ATOM 7025 C CD . GLU B 1 274 ? 25.672 43.858 -34.070 1.00 43.59 ? 356 GLU B CD 1 ATOM 7026 O OE1 . GLU B 1 274 ? 25.663 44.059 -35.303 1.00 51.44 ? 356 GLU B OE1 1 ATOM 7027 O OE2 . GLU B 1 274 ? 26.709 43.580 -33.438 1.00 38.19 ? 356 GLU B OE2 1 ATOM 7028 N N . PRO B 1 275 ? 26.155 41.197 -30.224 1.00 38.46 ? 357 PRO B N 1 ATOM 7029 C CA . PRO B 1 275 ? 27.301 41.514 -31.084 1.00 48.25 ? 357 PRO B CA 1 ATOM 7030 C C . PRO B 1 275 ? 27.821 40.328 -31.897 1.00 49.95 ? 357 PRO B C 1 ATOM 7031 O O . PRO B 1 275 ? 29.014 40.278 -32.196 1.00 45.43 ? 357 PRO B O 1 ATOM 7032 C CB . PRO B 1 275 ? 28.364 41.933 -30.073 1.00 39.49 ? 357 PRO B CB 1 ATOM 7033 C CG . PRO B 1 275 ? 28.086 41.065 -28.901 1.00 25.55 ? 357 PRO B CG 1 ATOM 7034 C CD . PRO B 1 275 ? 26.585 40.894 -28.847 1.00 25.64 ? 357 PRO B CD 1 ATOM 7035 N N . ASP B 1 276 ? 26.946 39.389 -32.240 1.00 46.79 ? 358 ASP B N 1 ATOM 7036 C CA . ASP B 1 276 ? 27.342 38.245 -33.054 1.00 43.18 ? 358 ASP B CA 1 ATOM 7037 C C . ASP B 1 276 ? 27.703 38.684 -34.470 1.00 50.22 ? 358 ASP B C 1 ATOM 7038 O O . ASP B 1 276 ? 28.705 38.243 -35.031 1.00 54.83 ? 358 ASP B O 1 ATOM 7039 C CB . ASP B 1 276 ? 26.236 37.188 -33.094 1.00 36.18 ? 358 ASP B CB 1 ATOM 7040 C CG . ASP B 1 276 ? 26.639 35.950 -33.870 1.00 35.94 ? 358 ASP B CG 1 ATOM 7041 O OD1 . ASP B 1 276 ? 26.165 35.781 -35.013 1.00 38.55 ? 358 ASP B OD1 1 ATOM 7042 O OD2 . ASP B 1 276 ? 27.430 35.145 -33.339 1.00 35.59 ? 358 ASP B OD2 1 ATOM 7043 N N . SER B 1 277 ? 26.879 39.559 -35.037 1.00 44.47 ? 359 SER B N 1 ATOM 7044 C CA . SER B 1 277 ? 27.075 40.041 -36.400 1.00 40.85 ? 359 SER B CA 1 ATOM 7045 C C . SER B 1 277 ? 28.407 40.765 -36.568 1.00 38.64 ? 359 SER B C 1 ATOM 7046 O O . SER B 1 277 ? 29.166 40.474 -37.493 1.00 40.01 ? 359 SER B O 1 ATOM 7047 C CB . SER B 1 277 ? 25.926 40.965 -36.805 1.00 42.93 ? 359 SER B CB 1 ATOM 7048 O OG . SER B 1 277 ? 24.680 40.298 -36.707 1.00 44.60 ? 359 SER B OG 1 ATOM 7049 N N . SER B 1 278 ? 28.687 41.706 -35.673 1.00 35.43 ? 360 SER B N 1 ATOM 7050 C CA . SER B 1 278 ? 29.942 42.447 -35.720 1.00 39.73 ? 360 SER B CA 1 ATOM 7051 C C . SER B 1 278 ? 31.116 41.549 -35.350 1.00 38.19 ? 360 SER B C 1 ATOM 7052 O O . SER B 1 278 ? 32.249 41.790 -35.768 1.00 38.20 ? 360 SER B O 1 ATOM 7053 C CB . SER B 1 278 ? 29.890 43.655 -34.783 1.00 42.38 ? 360 SER B CB 1 ATOM 7054 O OG . SER B 1 278 ? 28.878 44.565 -35.179 1.00 49.84 ? 360 SER B OG 1 ATOM 7055 N N . GLY B 1 279 ? 30.841 40.517 -34.559 1.00 38.24 ? 361 GLY B N 1 ATOM 7056 C CA . GLY B 1 279 ? 31.873 39.590 -34.137 1.00 41.16 ? 361 GLY B CA 1 ATOM 7057 C C . GLY B 1 279 ? 32.373 38.735 -35.283 1.00 38.94 ? 361 GLY B C 1 ATOM 7058 O O . GLY B 1 279 ? 33.570 38.471 -35.396 1.00 35.87 ? 361 GLY B O 1 ATOM 7059 N N . HIS B 1 280 ? 31.450 38.295 -36.133 1.00 40.47 ? 362 HIS B N 1 ATOM 7060 C CA . HIS B 1 280 ? 31.805 37.472 -37.283 1.00 35.94 ? 362 HIS B CA 1 ATOM 7061 C C . HIS B 1 280 ? 32.582 38.268 -38.325 1.00 41.14 ? 362 HIS B C 1 ATOM 7062 O O . HIS B 1 280 ? 33.644 37.848 -38.781 1.00 44.77 ? 362 HIS B O 1 ATOM 7063 C CB . HIS B 1 280 ? 30.553 36.871 -37.931 1.00 24.19 ? 362 HIS B CB 1 ATOM 7064 C CG . HIS B 1 280 ? 29.986 35.698 -37.191 1.00 34.80 ? 362 HIS B CG 1 ATOM 7065 N ND1 . HIS B 1 280 ? 30.571 34.451 -37.213 1.00 49.31 ? 362 HIS B ND1 1 ATOM 7066 C CD2 . HIS B 1 280 ? 28.880 35.580 -36.419 1.00 39.81 ? 362 HIS B CD2 1 ATOM 7067 C CE1 . HIS B 1 280 ? 29.855 33.617 -36.479 1.00 52.11 ? 362 HIS B CE1 1 ATOM 7068 N NE2 . HIS B 1 280 ? 28.824 34.278 -35.985 1.00 42.64 ? 362 HIS B NE2 1 ATOM 7069 N N . SER B 1 281 ? 32.045 39.428 -38.687 1.00 38.39 ? 363 SER B N 1 ATOM 7070 C CA . SER B 1 281 ? 32.549 40.192 -39.824 1.00 43.34 ? 363 SER B CA 1 ATOM 7071 C C . SER B 1 281 ? 33.853 40.938 -39.559 1.00 35.80 ? 363 SER B C 1 ATOM 7072 O O . SER B 1 281 ? 34.572 41.292 -40.495 1.00 47.31 ? 363 SER B O 1 ATOM 7073 C CB . SER B 1 281 ? 31.483 41.171 -40.327 1.00 47.91 ? 363 SER B CB 1 ATOM 7074 O OG . SER B 1 281 ? 31.201 42.161 -39.354 1.00 49.30 ? 363 SER B OG 1 ATOM 7075 N N . HIS B 1 282 ? 34.158 41.180 -38.289 1.00 18.80 ? 364 HIS B N 1 ATOM 7076 C CA . HIS B 1 282 ? 35.328 41.985 -37.955 1.00 27.81 ? 364 HIS B CA 1 ATOM 7077 C C . HIS B 1 282 ? 36.224 41.386 -36.869 1.00 31.53 ? 364 HIS B C 1 ATOM 7078 O O . HIS B 1 282 ? 37.360 41.823 -36.679 1.00 35.77 ? 364 HIS B O 1 ATOM 7079 C CB . HIS B 1 282 ? 34.902 43.404 -37.581 1.00 27.84 ? 364 HIS B CB 1 ATOM 7080 C CG . HIS B 1 282 ? 34.283 44.163 -38.712 1.00 32.98 ? 364 HIS B CG 1 ATOM 7081 N ND1 . HIS B 1 282 ? 33.031 44.731 -38.627 1.00 42.19 ? 364 HIS B ND1 1 ATOM 7082 C CD2 . HIS B 1 282 ? 34.738 44.439 -39.957 1.00 31.76 ? 364 HIS B CD2 1 ATOM 7083 C CE1 . HIS B 1 282 ? 32.742 45.328 -39.769 1.00 41.85 ? 364 HIS B CE1 1 ATOM 7084 N NE2 . HIS B 1 282 ? 33.761 45.166 -40.593 1.00 34.03 ? 364 HIS B NE2 1 ATOM 7085 N N . GLY B 1 283 ? 35.713 40.383 -36.164 1.00 30.37 ? 365 GLY B N 1 ATOM 7086 C CA . GLY B 1 283 ? 36.485 39.703 -35.141 1.00 36.14 ? 365 GLY B CA 1 ATOM 7087 C C . GLY B 1 283 ? 36.138 40.146 -33.731 1.00 43.73 ? 365 GLY B C 1 ATOM 7088 O O . GLY B 1 283 ? 35.602 41.237 -33.532 1.00 45.66 ? 365 GLY B O 1 ATOM 7089 N N . PRO B 1 284 ? 36.440 39.291 -32.741 1.00 43.51 ? 366 PRO B N 1 ATOM 7090 C CA . PRO B 1 284 ? 36.159 39.520 -31.317 1.00 36.23 ? 366 PRO B CA 1 ATOM 7091 C C . PRO B 1 284 ? 36.836 40.766 -30.756 1.00 43.44 ? 366 PRO B C 1 ATOM 7092 O O . PRO B 1 284 ? 36.271 41.427 -29.883 1.00 53.28 ? 366 PRO B O 1 ATOM 7093 C CB . PRO B 1 284 ? 36.752 38.277 -30.649 1.00 41.10 ? 366 PRO B CB 1 ATOM 7094 C CG . PRO B 1 284 ? 36.783 37.242 -31.709 1.00 44.65 ? 366 PRO B CG 1 ATOM 7095 C CD . PRO B 1 284 ? 37.065 37.978 -32.976 1.00 50.54 ? 366 PRO B CD 1 ATOM 7096 N N . VAL B 1 285 ? 38.032 41.077 -31.246 1.00 38.59 ? 367 VAL B N 1 ATOM 7097 C CA . VAL B 1 285 ? 38.752 42.265 -30.796 1.00 37.72 ? 367 VAL B CA 1 ATOM 7098 C C . VAL B 1 285 ? 38.758 43.408 -31.812 1.00 48.34 ? 367 VAL B C 1 ATOM 7099 O O . VAL B 1 285 ? 39.744 44.135 -31.932 1.00 58.04 ? 367 VAL B O 1 ATOM 7100 C CB . VAL B 1 285 ? 40.204 41.917 -30.414 1.00 28.56 ? 367 VAL B CB 1 ATOM 7101 C CG1 . VAL B 1 285 ? 40.236 41.127 -29.115 1.00 13.44 ? 367 VAL B CG1 1 ATOM 7102 C CG2 . VAL B 1 285 ? 40.877 41.146 -31.543 1.00 50.25 ? 367 VAL B CG2 1 ATOM 7103 N N . SER B 1 286 ? 37.652 43.579 -32.526 1.00 53.61 ? 368 SER B N 1 ATOM 7104 C CA . SER B 1 286 ? 37.561 44.620 -33.544 1.00 56.21 ? 368 SER B CA 1 ATOM 7105 C C . SER B 1 286 ? 37.080 45.946 -32.962 1.00 55.87 ? 368 SER B C 1 ATOM 7106 O O . SER B 1 286 ? 36.697 46.023 -31.797 1.00 47.52 ? 368 SER B O 1 ATOM 7107 C CB . SER B 1 286 ? 36.617 44.184 -34.660 1.00 55.82 ? 368 SER B CB 1 ATOM 7108 O OG . SER B 1 286 ? 35.303 44.000 -34.168 1.00 52.31 ? 368 SER B OG 1 ATOM 7109 N N . SER B 1 287 ? 37.119 46.993 -33.780 1.00 58.56 ? 369 SER B N 1 ATOM 7110 C CA . SER B 1 287 ? 36.633 48.303 -33.369 1.00 43.06 ? 369 SER B CA 1 ATOM 7111 C C . SER B 1 287 ? 35.112 48.347 -33.474 1.00 39.54 ? 369 SER B C 1 ATOM 7112 O O . SER B 1 287 ? 34.447 49.120 -32.785 1.00 35.22 ? 369 SER B O 1 ATOM 7113 C CB . SER B 1 287 ? 37.252 49.390 -34.247 1.00 32.07 ? 369 SER B CB 1 ATOM 7114 O OG . SER B 1 287 ? 36.868 50.683 -33.816 1.00 37.51 ? 369 SER B OG 1 ATOM 7115 N N . GLU B 1 288 ? 34.578 47.502 -34.349 1.00 43.46 ? 370 GLU B N 1 ATOM 7116 C CA . GLU B 1 288 ? 33.149 47.449 -34.645 1.00 47.50 ? 370 GLU B CA 1 ATOM 7117 C C . GLU B 1 288 ? 32.332 46.770 -33.549 1.00 41.21 ? 370 GLU B C 1 ATOM 7118 O O . GLU B 1 288 ? 31.164 47.103 -33.346 1.00 21.09 ? 370 GLU B O 1 ATOM 7119 C CB . GLU B 1 288 ? 32.900 46.764 -35.991 1.00 57.38 ? 370 GLU B CB 1 ATOM 7120 C CG . GLU B 1 288 ? 33.252 47.630 -37.201 1.00 65.58 ? 370 GLU B CG 1 ATOM 7121 C CD . GLU B 1 288 ? 34.743 47.798 -37.410 1.00 68.70 ? 370 GLU B CD 1 ATOM 7122 O OE1 . GLU B 1 288 ? 35.514 46.933 -36.943 1.00 71.47 ? 370 GLU B OE1 1 ATOM 7123 O OE2 . GLU B 1 288 ? 35.142 48.799 -38.043 1.00 64.44 ? 370 GLU B OE2 1 ATOM 7124 N N . VAL B 1 289 ? 32.939 45.819 -32.846 1.00 46.32 ? 371 VAL B N 1 ATOM 7125 C CA . VAL B 1 289 ? 32.240 45.144 -31.758 1.00 41.07 ? 371 VAL B CA 1 ATOM 7126 C C . VAL B 1 289 ? 32.078 46.064 -30.549 1.00 37.34 ? 371 VAL B C 1 ATOM 7127 O O . VAL B 1 289 ? 31.072 45.987 -29.850 1.00 43.84 ? 371 VAL B O 1 ATOM 7128 C CB . VAL B 1 289 ? 32.925 43.820 -31.336 1.00 41.10 ? 371 VAL B CB 1 ATOM 7129 C CG1 . VAL B 1 289 ? 32.825 42.786 -32.451 1.00 35.27 ? 371 VAL B CG1 1 ATOM 7130 C CG2 . VAL B 1 289 ? 34.373 44.056 -30.946 1.00 48.35 ? 371 VAL B CG2 1 ATOM 7131 N N . ILE B 1 290 ? 33.053 46.936 -30.308 1.00 31.13 ? 372 ILE B N 1 ATOM 7132 C CA . ILE B 1 290 ? 32.926 47.921 -29.237 1.00 30.40 ? 372 ILE B CA 1 ATOM 7133 C C . ILE B 1 290 ? 31.753 48.853 -29.535 1.00 37.94 ? 372 ILE B C 1 ATOM 7134 O O . ILE B 1 290 ? 30.944 49.148 -28.652 1.00 41.57 ? 372 ILE B O 1 ATOM 7135 C CB . ILE B 1 290 ? 34.216 48.744 -29.054 1.00 23.93 ? 372 ILE B CB 1 ATOM 7136 C CG1 . ILE B 1 290 ? 35.316 47.867 -28.448 1.00 22.32 ? 372 ILE B CG1 1 ATOM 7137 C CG2 . ILE B 1 290 ? 33.961 49.948 -28.157 1.00 14.78 ? 372 ILE B CG2 1 ATOM 7138 C CD1 . ILE B 1 290 ? 36.437 48.642 -27.782 1.00 13.59 ? 372 ILE B CD1 1 ATOM 7139 N N . LYS B 1 291 ? 31.658 49.304 -30.783 1.00 33.29 ? 373 LYS B N 1 ATOM 7140 C CA . LYS B 1 291 ? 30.532 50.126 -31.215 1.00 35.33 ? 373 LYS B CA 1 ATOM 7141 C C . LYS B 1 291 ? 29.243 49.318 -31.132 1.00 35.30 ? 373 LYS B C 1 ATOM 7142 O O . LYS B 1 291 ? 28.173 49.861 -30.853 1.00 33.06 ? 373 LYS B O 1 ATOM 7143 C CB . LYS B 1 291 ? 30.743 50.657 -32.636 1.00 35.30 ? 373 LYS B CB 1 ATOM 7144 C CG . LYS B 1 291 ? 31.783 51.763 -32.727 1.00 35.81 ? 373 LYS B CG 1 ATOM 7145 C CD . LYS B 1 291 ? 31.883 52.348 -34.129 1.00 42.94 ? 373 LYS B CD 1 ATOM 7146 C CE . LYS B 1 291 ? 32.631 51.428 -35.080 1.00 51.54 ? 373 LYS B CE 1 ATOM 7147 N NZ . LYS B 1 291 ? 32.780 52.047 -36.428 1.00 41.56 ? 373 LYS B NZ 1 ATOM 7148 N N . ALA B 1 292 ? 29.353 48.017 -31.376 1.00 31.25 ? 374 ALA B N 1 ATOM 7149 C CA . ALA B 1 292 ? 28.206 47.124 -31.286 1.00 27.90 ? 374 ALA B CA 1 ATOM 7150 C C . ALA B 1 292 ? 27.827 46.900 -29.825 1.00 39.24 ? 374 ALA B C 1 ATOM 7151 O O . ALA B 1 292 ? 26.645 46.878 -29.481 1.00 44.52 ? 374 ALA B O 1 ATOM 7152 C CB . ALA B 1 292 ? 28.499 45.801 -31.973 1.00 17.35 ? 374 ALA B CB 1 ATOM 7153 N N . LEU B 1 293 ? 28.834 46.722 -28.975 1.00 40.11 ? 375 LEU B N 1 ATOM 7154 C CA . LEU B 1 293 ? 28.605 46.530 -27.546 1.00 35.95 ? 375 LEU B CA 1 ATOM 7155 C C . LEU B 1 293 ? 27.951 47.765 -26.932 1.00 29.79 ? 375 LEU B C 1 ATOM 7156 O O . LEU B 1 293 ? 27.046 47.650 -26.109 1.00 22.69 ? 375 LEU B O 1 ATOM 7157 C CB . LEU B 1 293 ? 29.915 46.209 -26.820 1.00 39.08 ? 375 LEU B CB 1 ATOM 7158 C CG . LEU B 1 293 ? 30.494 44.806 -27.032 1.00 37.98 ? 375 LEU B CG 1 ATOM 7159 C CD1 . LEU B 1 293 ? 31.793 44.629 -26.258 1.00 38.08 ? 375 LEU B CD1 1 ATOM 7160 C CD2 . LEU B 1 293 ? 29.485 43.737 -26.652 1.00 29.02 ? 375 LEU B CD2 1 ATOM 7161 N N . GLN B 1 294 ? 28.420 48.945 -27.324 1.00 28.01 ? 376 GLN B N 1 ATOM 7162 C CA . GLN B 1 294 ? 27.842 50.191 -26.833 1.00 31.27 ? 376 GLN B CA 1 ATOM 7163 C C . GLN B 1 294 ? 26.416 50.370 -27.346 1.00 35.58 ? 376 GLN B C 1 ATOM 7164 O O . GLN B 1 294 ? 25.555 50.903 -26.643 1.00 34.56 ? 376 GLN B O 1 ATOM 7165 C CB . GLN B 1 294 ? 28.709 51.386 -27.235 1.00 32.78 ? 376 GLN B CB 1 ATOM 7166 C CG . GLN B 1 294 ? 30.014 51.493 -26.459 1.00 39.37 ? 376 GLN B CG 1 ATOM 7167 C CD . GLN B 1 294 ? 30.824 52.715 -26.845 1.00 47.06 ? 376 GLN B CD 1 ATOM 7168 O OE1 . GLN B 1 294 ? 30.680 53.247 -27.946 1.00 50.75 ? 376 GLN B OE1 1 ATOM 7169 N NE2 . GLN B 1 294 ? 31.678 53.170 -25.935 1.00 38.95 ? 376 GLN B NE2 1 ATOM 7170 N N . LYS B 1 295 ? 26.176 49.930 -28.577 1.00 37.68 ? 377 LYS B N 1 ATOM 7171 C CA . LYS B 1 295 ? 24.848 50.006 -29.178 1.00 45.20 ? 377 LYS B CA 1 ATOM 7172 C C . LYS B 1 295 ? 23.869 49.091 -28.447 1.00 45.12 ? 377 LYS B C 1 ATOM 7173 O O . LYS B 1 295 ? 22.730 49.467 -28.181 1.00 42.23 ? 377 LYS B O 1 ATOM 7174 C CB . LYS B 1 295 ? 24.897 49.643 -30.663 1.00 42.09 ? 377 LYS B CB 1 ATOM 7175 C CG . LYS B 1 295 ? 23.536 49.693 -31.343 1.00 42.59 ? 377 LYS B CG 1 ATOM 7176 C CD . LYS B 1 295 ? 23.610 49.272 -32.799 1.00 47.53 ? 377 LYS B CD 1 ATOM 7177 C CE . LYS B 1 295 ? 22.242 49.355 -33.459 1.00 53.87 ? 377 LYS B CE 1 ATOM 7178 N NZ . LYS B 1 295 ? 22.274 48.891 -34.874 1.00 51.89 ? 377 LYS B NZ 1 ATOM 7179 N N . VAL B 1 296 ? 24.310 47.875 -28.154 1.00 44.27 ? 378 VAL B N 1 ATOM 7180 C CA . VAL B 1 296 ? 23.471 46.914 -27.453 1.00 43.32 ? 378 VAL B CA 1 ATOM 7181 C C . VAL B 1 296 ? 23.257 47.363 -26.002 1.00 39.39 ? 378 VAL B C 1 ATOM 7182 O O . VAL B 1 296 ? 22.215 47.089 -25.409 1.00 39.25 ? 378 VAL B O 1 ATOM 7183 C CB . VAL B 1 296 ? 24.085 45.485 -27.511 1.00 39.87 ? 378 VAL B CB 1 ATOM 7184 C CG1 . VAL B 1 296 ? 25.067 45.241 -26.376 1.00 38.74 ? 378 VAL B CG1 1 ATOM 7185 C CG2 . VAL B 1 296 ? 22.992 44.442 -27.482 1.00 38.34 ? 378 VAL B CG2 1 ATOM 7186 N N . ASP B 1 297 ? 24.250 48.043 -25.435 1.00 36.21 ? 379 ASP B N 1 ATOM 7187 C CA . ASP B 1 297 ? 24.174 48.532 -24.061 1.00 38.81 ? 379 ASP B CA 1 ATOM 7188 C C . ASP B 1 297 ? 23.122 49.622 -23.847 1.00 37.66 ? 379 ASP B C 1 ATOM 7189 O O . ASP B 1 297 ? 22.416 49.619 -22.840 1.00 30.67 ? 379 ASP B O 1 ATOM 7190 C CB . ASP B 1 297 ? 25.542 49.068 -23.632 1.00 40.55 ? 379 ASP B CB 1 ATOM 7191 C CG . ASP B 1 297 ? 25.534 49.626 -22.220 1.00 40.10 ? 379 ASP B CG 1 ATOM 7192 O OD1 . ASP B 1 297 ? 25.720 48.837 -21.270 1.00 28.10 ? 379 ASP B OD1 1 ATOM 7193 O OD2 . ASP B 1 297 ? 25.338 50.848 -22.057 1.00 43.92 ? 379 ASP B OD2 1 ATOM 7194 N N . ARG B 1 298 ? 23.016 50.552 -24.792 1.00 45.11 ? 380 ARG B N 1 ATOM 7195 C CA . ARG B 1 298 ? 22.051 51.647 -24.676 1.00 48.04 ? 380 ARG B CA 1 ATOM 7196 C C . ARG B 1 298 ? 20.633 51.111 -24.849 1.00 40.76 ? 380 ARG B C 1 ATOM 7197 O O . ARG B 1 298 ? 19.675 51.650 -24.286 1.00 47.09 ? 380 ARG B O 1 ATOM 7198 C CB . ARG B 1 298 ? 22.339 52.750 -25.701 1.00 51.58 ? 380 ARG B CB 1 ATOM 7199 C CG . ARG B 1 298 ? 22.307 52.323 -27.157 1.00 62.07 ? 380 ARG B CG 1 ATOM 7200 C CD . ARG B 1 298 ? 22.614 53.493 -28.088 1.00 72.69 ? 380 ARG B CD 1 ATOM 7201 N NE . ARG B 1 298 ? 23.907 54.112 -27.804 1.00 79.30 ? 380 ARG B NE 1 ATOM 7202 C CZ . ARG B 1 298 ? 24.939 54.103 -28.643 1.00 78.29 ? 380 ARG B CZ 1 ATOM 7203 N NH1 . ARG B 1 298 ? 26.080 54.687 -28.304 1.00 74.15 ? 380 ARG B NH1 1 ATOM 7204 N NH2 . ARG B 1 298 ? 24.829 53.509 -29.824 1.00 76.65 ? 380 ARG B NH2 1 ATOM 7205 N N . LEU B 1 299 ? 20.510 50.054 -25.642 1.00 30.83 ? 381 LEU B N 1 ATOM 7206 C CA . LEU B 1 299 ? 19.221 49.430 -25.915 1.00 39.08 ? 381 LEU B CA 1 ATOM 7207 C C . LEU B 1 299 ? 18.623 48.772 -24.675 1.00 41.51 ? 381 LEU B C 1 ATOM 7208 O O . LEU B 1 299 ? 17.405 48.792 -24.477 1.00 43.74 ? 381 LEU B O 1 ATOM 7209 C CB . LEU B 1 299 ? 19.379 48.404 -27.035 1.00 43.77 ? 381 LEU B CB 1 ATOM 7210 C CG . LEU B 1 299 ? 19.495 48.996 -28.434 1.00 54.60 ? 381 LEU B CG 1 ATOM 7211 C CD1 . LEU B 1 299 ? 19.699 47.883 -29.414 1.00 61.67 ? 381 LEU B CD1 1 ATOM 7212 C CD2 . LEU B 1 299 ? 18.244 49.786 -28.782 1.00 49.65 ? 381 LEU B CD2 1 ATOM 7213 N N . VAL B 1 300 ? 19.481 48.195 -23.841 1.00 34.50 ? 382 VAL B N 1 ATOM 7214 C CA . VAL B 1 300 ? 19.040 47.625 -22.577 1.00 29.96 ? 382 VAL B CA 1 ATOM 7215 C C . VAL B 1 300 ? 18.660 48.765 -21.636 1.00 40.92 ? 382 VAL B C 1 ATOM 7216 O O . VAL B 1 300 ? 17.700 48.666 -20.872 1.00 47.75 ? 382 VAL B O 1 ATOM 7217 C CB . VAL B 1 300 ? 20.122 46.734 -21.941 1.00 26.66 ? 382 VAL B CB 1 ATOM 7218 C CG1 . VAL B 1 300 ? 19.684 46.248 -20.567 1.00 22.21 ? 382 VAL B CG1 1 ATOM 7219 C CG2 . VAL B 1 300 ? 20.431 45.558 -22.851 1.00 20.49 ? 382 VAL B CG2 1 ATOM 7220 N N . GLY B 1 301 ? 19.424 49.852 -21.710 1.00 47.81 ? 383 GLY B N 1 ATOM 7221 C CA . GLY B 1 301 ? 19.146 51.044 -20.931 1.00 51.30 ? 383 GLY B CA 1 ATOM 7222 C C . GLY B 1 301 ? 17.811 51.649 -21.315 1.00 56.85 ? 383 GLY B C 1 ATOM 7223 O O . GLY B 1 301 ? 17.076 52.151 -20.466 1.00 62.71 ? 383 GLY B O 1 HETATM 7224 N N . MSE B 1 302 ? 17.503 51.599 -22.607 1.00 54.26 ? 384 MSE B N 1 HETATM 7225 C CA . MSE B 1 302 ? 16.232 52.100 -23.113 1.00 56.19 ? 384 MSE B CA 1 HETATM 7226 C C . MSE B 1 302 ? 15.093 51.213 -22.627 1.00 49.43 ? 384 MSE B C 1 HETATM 7227 O O . MSE B 1 302 ? 13.979 51.682 -22.393 1.00 55.32 ? 384 MSE B O 1 HETATM 7228 C CB . MSE B 1 302 ? 16.250 52.158 -24.641 1.00 68.47 ? 384 MSE B CB 1 HETATM 7229 C CG . MSE B 1 302 ? 15.023 52.813 -25.255 1.00 76.26 ? 384 MSE B CG 1 HETATM 7230 SE SE . MSE B 1 302 ? 15.203 53.068 -27.178 1.00 119.64 ? 384 MSE B SE 1 HETATM 7231 C CE . MSE B 1 302 ? 16.849 54.117 -27.186 1.00 24.81 ? 384 MSE B CE 1 ATOM 7232 N N . LEU B 1 303 ? 15.382 49.924 -22.480 1.00 41.16 ? 385 LEU B N 1 ATOM 7233 C CA . LEU B 1 303 ? 14.423 48.985 -21.918 1.00 41.41 ? 385 LEU B CA 1 ATOM 7234 C C . LEU B 1 303 ? 14.159 49.313 -20.455 1.00 38.50 ? 385 LEU B C 1 ATOM 7235 O O . LEU B 1 303 ? 13.009 49.389 -20.026 1.00 48.86 ? 385 LEU B O 1 ATOM 7236 C CB . LEU B 1 303 ? 14.928 47.548 -22.046 1.00 47.31 ? 385 LEU B CB 1 ATOM 7237 C CG . LEU B 1 303 ? 14.144 46.493 -21.262 1.00 42.43 ? 385 LEU B CG 1 ATOM 7238 C CD1 . LEU B 1 303 ? 12.710 46.392 -21.761 1.00 32.47 ? 385 LEU B CD1 1 ATOM 7239 C CD2 . LEU B 1 303 ? 14.841 45.146 -21.326 1.00 44.26 ? 385 LEU B CD2 1 HETATM 7240 N N . MSE B 1 304 ? 15.233 49.511 -19.698 1.00 30.86 ? 386 MSE B N 1 HETATM 7241 C CA . MSE B 1 304 ? 15.129 49.806 -18.273 1.00 40.31 ? 386 MSE B CA 1 HETATM 7242 C C . MSE B 1 304 ? 14.429 51.137 -18.018 1.00 44.23 ? 386 MSE B C 1 HETATM 7243 O O . MSE B 1 304 ? 13.611 51.248 -17.105 1.00 49.07 ? 386 MSE B O 1 HETATM 7244 C CB . MSE B 1 304 ? 16.513 49.804 -17.617 1.00 48.93 ? 386 MSE B CB 1 HETATM 7245 C CG . MSE B 1 304 ? 17.220 48.457 -17.656 1.00 52.64 ? 386 MSE B CG 1 HETATM 7246 SE SE . MSE B 1 304 ? 16.129 47.004 -16.940 1.00 47.84 ? 386 MSE B SE 1 HETATM 7247 C CE . MSE B 1 304 ? 15.750 47.748 -15.178 1.00 30.40 ? 386 MSE B CE 1 ATOM 7248 N N . ASP B 1 305 ? 14.756 52.143 -18.824 1.00 42.52 ? 387 ASP B N 1 ATOM 7249 C CA . ASP B 1 305 ? 14.124 53.454 -18.706 1.00 42.42 ? 387 ASP B CA 1 ATOM 7250 C C . ASP B 1 305 ? 12.632 53.366 -19.012 1.00 41.90 ? 387 ASP B C 1 ATOM 7251 O O . ASP B 1 305 ? 11.822 54.073 -18.413 1.00 45.78 ? 387 ASP B O 1 ATOM 7252 C CB . ASP B 1 305 ? 14.794 54.468 -19.635 1.00 41.10 ? 387 ASP B CB 1 ATOM 7253 C CG . ASP B 1 305 ? 16.153 54.909 -19.133 1.00 62.38 ? 387 ASP B CG 1 ATOM 7254 O OD1 . ASP B 1 305 ? 16.809 54.122 -18.417 1.00 73.32 ? 387 ASP B OD1 1 ATOM 7255 O OD2 . ASP B 1 305 ? 16.566 56.044 -19.452 1.00 67.30 ? 387 ASP B OD2 1 ATOM 7256 N N . GLY B 1 306 ? 12.282 52.493 -19.951 1.00 33.50 ? 388 GLY B N 1 ATOM 7257 C CA . GLY B 1 306 ? 10.897 52.257 -20.311 1.00 35.89 ? 388 GLY B CA 1 ATOM 7258 C C . GLY B 1 306 ? 10.145 51.564 -19.191 1.00 38.25 ? 388 GLY B C 1 ATOM 7259 O O . GLY B 1 306 ? 8.973 51.845 -18.944 1.00 44.36 ? 388 GLY B O 1 ATOM 7260 N N . LEU B 1 307 ? 10.835 50.655 -18.510 1.00 29.72 ? 389 LEU B N 1 ATOM 7261 C CA . LEU B 1 307 ? 10.277 49.950 -17.364 1.00 32.69 ? 389 LEU B CA 1 ATOM 7262 C C . LEU B 1 307 ? 10.070 50.903 -16.196 1.00 42.57 ? 389 LEU B C 1 ATOM 7263 O O . LEU B 1 307 ? 9.127 50.753 -15.419 1.00 42.22 ? 389 LEU B O 1 ATOM 7264 C CB . LEU B 1 307 ? 11.205 48.813 -16.940 1.00 38.16 ? 389 LEU B CB 1 ATOM 7265 C CG . LEU B 1 307 ? 11.335 47.644 -17.917 1.00 39.45 ? 389 LEU B CG 1 ATOM 7266 C CD1 . LEU B 1 307 ? 12.507 46.762 -17.525 1.00 36.99 ? 389 LEU B CD1 1 ATOM 7267 C CD2 . LEU B 1 307 ? 10.050 46.842 -17.962 1.00 34.54 ? 389 LEU B CD2 1 ATOM 7268 N N . LYS B 1 308 ? 10.960 51.882 -16.076 1.00 48.56 ? 390 LYS B N 1 ATOM 7269 C CA . LYS B 1 308 ? 10.886 52.857 -14.998 1.00 48.58 ? 390 LYS B CA 1 ATOM 7270 C C . LYS B 1 308 ? 9.698 53.789 -15.202 1.00 54.11 ? 390 LYS B C 1 ATOM 7271 O O . LYS B 1 308 ? 9.015 54.156 -14.246 1.00 62.27 ? 390 LYS B O 1 ATOM 7272 C CB . LYS B 1 308 ? 12.186 53.658 -14.900 1.00 41.69 ? 390 LYS B CB 1 ATOM 7273 C CG . LYS B 1 308 ? 12.234 54.627 -13.732 1.00 42.86 ? 390 LYS B CG 1 ATOM 7274 C CD . LYS B 1 308 ? 13.567 55.352 -13.677 1.00 51.82 ? 390 LYS B CD 1 ATOM 7275 C CE . LYS B 1 308 ? 13.614 56.335 -12.520 1.00 62.73 ? 390 LYS B CE 1 ATOM 7276 N NZ . LYS B 1 308 ? 12.632 57.441 -12.694 1.00 67.86 ? 390 LYS B NZ 1 ATOM 7277 N N . ASP B 1 309 ? 9.458 54.171 -16.453 1.00 50.56 ? 391 ASP B N 1 ATOM 7278 C CA . ASP B 1 309 ? 8.337 55.046 -16.777 1.00 53.12 ? 391 ASP B CA 1 ATOM 7279 C C . ASP B 1 309 ? 7.001 54.324 -16.633 1.00 54.31 ? 391 ASP B C 1 ATOM 7280 O O . ASP B 1 309 ? 5.948 54.956 -16.561 1.00 61.74 ? 391 ASP B O 1 ATOM 7281 C CB . ASP B 1 309 ? 8.484 55.618 -18.189 1.00 66.73 ? 391 ASP B CB 1 ATOM 7282 C CG . ASP B 1 309 ? 9.685 56.533 -18.326 1.00 81.32 ? 391 ASP B CG 1 ATOM 7283 O OD1 . ASP B 1 309 ? 10.160 57.052 -17.293 1.00 85.61 ? 391 ASP B OD1 1 ATOM 7284 O OD2 . ASP B 1 309 ? 10.154 56.735 -19.468 1.00 84.55 ? 391 ASP B OD2 1 ATOM 7285 N N . LEU B 1 310 ? 7.052 52.997 -16.592 1.00 44.42 ? 392 LEU B N 1 ATOM 7286 C CA . LEU B 1 310 ? 5.855 52.188 -16.393 1.00 40.82 ? 392 LEU B CA 1 ATOM 7287 C C . LEU B 1 310 ? 5.733 51.746 -14.939 1.00 42.69 ? 392 LEU B C 1 ATOM 7288 O O . LEU B 1 310 ? 4.772 51.075 -14.562 1.00 39.88 ? 392 LEU B O 1 ATOM 7289 C CB . LEU B 1 310 ? 5.872 50.964 -17.312 1.00 35.39 ? 392 LEU B CB 1 ATOM 7290 C CG . LEU B 1 310 ? 5.201 51.102 -18.682 1.00 35.30 ? 392 LEU B CG 1 ATOM 7291 C CD1 . LEU B 1 310 ? 5.806 52.236 -19.493 1.00 29.43 ? 392 LEU B CD1 1 ATOM 7292 C CD2 . LEU B 1 310 ? 5.282 49.790 -19.449 1.00 38.26 ? 392 LEU B CD2 1 ATOM 7293 N N . GLY B 1 311 ? 6.713 52.128 -14.127 1.00 48.09 ? 393 GLY B N 1 ATOM 7294 C CA . GLY B 1 311 ? 6.724 51.763 -12.722 1.00 54.62 ? 393 GLY B CA 1 ATOM 7295 C C . GLY B 1 311 ? 6.919 50.274 -12.501 1.00 55.95 ? 393 GLY B C 1 ATOM 7296 O O . GLY B 1 311 ? 6.313 49.691 -11.603 1.00 55.47 ? 393 GLY B O 1 ATOM 7297 N N . LEU B 1 312 ? 7.770 49.659 -13.316 1.00 55.71 ? 394 LEU B N 1 ATOM 7298 C CA . LEU B 1 312 ? 7.991 48.219 -13.239 1.00 44.78 ? 394 LEU B CA 1 ATOM 7299 C C . LEU B 1 312 ? 9.465 47.868 -13.063 1.00 40.23 ? 394 LEU B C 1 ATOM 7300 O O . LEU B 1 312 ? 9.843 46.700 -13.139 1.00 36.29 ? 394 LEU B O 1 ATOM 7301 C CB . LEU B 1 312 ? 7.441 47.532 -14.491 1.00 35.07 ? 394 LEU B CB 1 ATOM 7302 C CG . LEU B 1 312 ? 5.920 47.433 -14.594 1.00 39.65 ? 394 LEU B CG 1 ATOM 7303 C CD1 . LEU B 1 312 ? 5.486 47.205 -16.032 1.00 43.07 ? 394 LEU B CD1 1 ATOM 7304 C CD2 . LEU B 1 312 ? 5.417 46.312 -13.704 1.00 38.46 ? 394 LEU B CD2 1 ATOM 7305 N N . ASP B 1 313 ? 10.293 48.882 -12.831 1.00 37.57 ? 395 ASP B N 1 ATOM 7306 C CA . ASP B 1 313 ? 11.731 48.677 -12.667 1.00 39.31 ? 395 ASP B CA 1 ATOM 7307 C C . ASP B 1 313 ? 12.030 47.865 -11.409 1.00 46.78 ? 395 ASP B C 1 ATOM 7308 O O . ASP B 1 313 ? 13.096 47.260 -11.285 1.00 47.13 ? 395 ASP B O 1 ATOM 7309 C CB . ASP B 1 313 ? 12.475 50.012 -12.647 1.00 40.87 ? 395 ASP B CB 1 ATOM 7310 C CG . ASP B 1 313 ? 11.944 50.960 -11.593 1.00 54.60 ? 395 ASP B CG 1 ATOM 7311 O OD1 . ASP B 1 313 ? 10.742 50.873 -11.268 1.00 61.89 ? 395 ASP B OD1 1 ATOM 7312 O OD2 . ASP B 1 313 ? 12.730 51.790 -11.088 1.00 60.22 ? 395 ASP B OD2 1 ATOM 7313 N N . LYS B 1 314 ? 11.079 47.856 -10.481 1.00 44.27 ? 396 LYS B N 1 ATOM 7314 C CA . LYS B 1 314 ? 11.190 47.041 -9.278 1.00 42.63 ? 396 LYS B CA 1 ATOM 7315 C C . LYS B 1 314 ? 10.081 46.003 -9.232 1.00 39.23 ? 396 LYS B C 1 ATOM 7316 O O . LYS B 1 314 ? 9.656 45.579 -8.159 1.00 41.26 ? 396 LYS B O 1 ATOM 7317 C CB . LYS B 1 314 ? 11.153 47.912 -8.021 1.00 44.26 ? 396 LYS B CB 1 ATOM 7318 C CG . LYS B 1 314 ? 12.272 48.927 -7.926 1.00 48.18 ? 396 LYS B CG 1 ATOM 7319 C CD . LYS B 1 314 ? 12.411 49.436 -6.504 1.00 54.02 ? 396 LYS B CD 1 ATOM 7320 C CE . LYS B 1 314 ? 13.441 50.544 -6.418 1.00 65.30 ? 396 LYS B CE 1 ATOM 7321 N NZ . LYS B 1 314 ? 13.652 50.997 -5.014 1.00 67.88 ? 396 LYS B NZ 1 ATOM 7322 N N . CYS B 1 315 ? 9.614 45.600 -10.407 1.00 36.49 ? 397 CYS B N 1 ATOM 7323 C CA . CYS B 1 315 ? 8.540 44.627 -10.496 1.00 37.66 ? 397 CYS B CA 1 ATOM 7324 C C . CYS B 1 315 ? 8.791 43.669 -11.656 1.00 46.36 ? 397 CYS B C 1 ATOM 7325 O O . CYS B 1 315 ? 7.870 43.018 -12.142 1.00 46.80 ? 397 CYS B O 1 ATOM 7326 C CB . CYS B 1 315 ? 7.191 45.332 -10.665 1.00 29.03 ? 397 CYS B CB 1 ATOM 7327 S SG . CYS B 1 315 ? 5.733 44.295 -10.389 1.00 83.76 ? 397 CYS B SG 1 ATOM 7328 N N . LEU B 1 316 ? 10.038 43.594 -12.114 1.00 47.98 ? 398 LEU B N 1 ATOM 7329 C CA . LEU B 1 316 ? 10.374 42.697 -13.216 1.00 37.19 ? 398 LEU B CA 1 ATOM 7330 C C . LEU B 1 316 ? 11.649 41.902 -12.949 1.00 40.52 ? 398 LEU B C 1 ATOM 7331 O O . LEU B 1 316 ? 12.650 42.452 -12.487 1.00 40.42 ? 398 LEU B O 1 ATOM 7332 C CB . LEU B 1 316 ? 10.520 43.475 -14.525 1.00 28.31 ? 398 LEU B CB 1 ATOM 7333 C CG . LEU B 1 316 ? 10.805 42.621 -15.764 1.00 25.24 ? 398 LEU B CG 1 ATOM 7334 C CD1 . LEU B 1 316 ? 9.574 41.818 -16.149 1.00 21.72 ? 398 LEU B CD1 1 ATOM 7335 C CD2 . LEU B 1 316 ? 11.273 43.473 -16.926 1.00 19.31 ? 398 LEU B CD2 1 ATOM 7336 N N . ASN B 1 317 ? 11.603 40.607 -13.242 1.00 48.92 ? 399 ASN B N 1 ATOM 7337 C CA . ASN B 1 317 ? 12.790 39.762 -13.194 1.00 45.96 ? 399 ASN B CA 1 ATOM 7338 C C . ASN B 1 317 ? 13.451 39.689 -14.566 1.00 34.24 ? 399 ASN B C 1 ATOM 7339 O O . ASN B 1 317 ? 12.881 39.140 -15.510 1.00 29.74 ? 399 ASN B O 1 ATOM 7340 C CB . ASN B 1 317 ? 12.440 38.358 -12.702 1.00 45.43 ? 399 ASN B CB 1 ATOM 7341 C CG . ASN B 1 317 ? 12.120 38.329 -11.220 1.00 48.79 ? 399 ASN B CG 1 ATOM 7342 O OD1 . ASN B 1 317 ? 12.702 39.080 -10.436 1.00 13.98 ? 399 ASN B OD1 1 ATOM 7343 N ND2 . ASN B 1 317 ? 11.190 37.466 -10.829 1.00 56.44 ? 399 ASN B ND2 1 ATOM 7344 N N . LEU B 1 318 ? 14.655 40.241 -14.672 1.00 26.26 ? 400 LEU B N 1 ATOM 7345 C CA . LEU B 1 318 ? 15.378 40.264 -15.938 1.00 23.55 ? 400 LEU B CA 1 ATOM 7346 C C . LEU B 1 318 ? 16.529 39.264 -15.971 1.00 27.16 ? 400 LEU B C 1 ATOM 7347 O O . LEU B 1 318 ? 17.341 39.201 -15.047 1.00 35.77 ? 400 LEU B O 1 ATOM 7348 C CB . LEU B 1 318 ? 15.909 41.668 -16.231 1.00 19.08 ? 400 LEU B CB 1 ATOM 7349 C CG . LEU B 1 318 ? 16.731 41.810 -17.515 1.00 14.77 ? 400 LEU B CG 1 ATOM 7350 C CD1 . LEU B 1 318 ? 15.908 41.402 -18.733 1.00 18.75 ? 400 LEU B CD1 1 ATOM 7351 C CD2 . LEU B 1 318 ? 17.254 43.230 -17.667 1.00 31.93 ? 400 LEU B CD2 1 ATOM 7352 N N . ILE B 1 319 ? 16.590 38.487 -17.047 1.00 28.72 ? 401 ILE B N 1 ATOM 7353 C CA . ILE B 1 319 ? 17.702 37.574 -17.272 1.00 31.09 ? 401 ILE B CA 1 ATOM 7354 C C . ILE B 1 319 ? 18.411 37.928 -18.574 1.00 31.83 ? 401 ILE B C 1 ATOM 7355 O O . ILE B 1 319 ? 17.975 37.543 -19.659 1.00 35.08 ? 401 ILE B O 1 ATOM 7356 C CB . ILE B 1 319 ? 17.239 36.105 -17.320 1.00 24.33 ? 401 ILE B CB 1 ATOM 7357 C CG1 . ILE B 1 319 ? 16.479 35.742 -16.045 1.00 23.13 ? 401 ILE B CG1 1 ATOM 7358 C CG2 . ILE B 1 319 ? 18.421 35.176 -17.503 1.00 27.26 ? 401 ILE B CG2 1 ATOM 7359 C CD1 . ILE B 1 319 ? 16.061 34.289 -15.976 1.00 27.42 ? 401 ILE B CD1 1 ATOM 7360 N N . LEU B 1 320 ? 19.507 38.670 -18.455 1.00 23.09 ? 402 LEU B N 1 ATOM 7361 C CA . LEU B 1 320 ? 20.301 39.069 -19.611 1.00 23.35 ? 402 LEU B CA 1 ATOM 7362 C C . LEU B 1 320 ? 21.313 37.977 -19.942 1.00 29.08 ? 402 LEU B C 1 ATOM 7363 O O . LEU B 1 320 ? 22.303 37.798 -19.235 1.00 26.97 ? 402 LEU B O 1 ATOM 7364 C CB . LEU B 1 320 ? 21.005 40.399 -19.337 1.00 23.32 ? 402 LEU B CB 1 ATOM 7365 C CG . LEU B 1 320 ? 21.692 41.096 -20.510 1.00 27.58 ? 402 LEU B CG 1 ATOM 7366 C CD1 . LEU B 1 320 ? 20.702 41.334 -21.636 1.00 40.08 ? 402 LEU B CD1 1 ATOM 7367 C CD2 . LEU B 1 320 ? 22.317 42.406 -20.057 1.00 24.96 ? 402 LEU B CD2 1 ATOM 7368 N N . ILE B 1 321 ? 21.055 37.249 -21.023 1.00 35.74 ? 403 ILE B N 1 ATOM 7369 C CA . ILE B 1 321 ? 21.812 36.045 -21.336 1.00 30.89 ? 403 ILE B CA 1 ATOM 7370 C C . ILE B 1 321 ? 22.359 36.086 -22.762 1.00 29.03 ? 403 ILE B C 1 ATOM 7371 O O . ILE B 1 321 ? 21.993 36.958 -23.552 1.00 32.87 ? 403 ILE B O 1 ATOM 7372 C CB . ILE B 1 321 ? 20.917 34.797 -21.155 1.00 11.98 ? 403 ILE B CB 1 ATOM 7373 C CG1 . ILE B 1 321 ? 21.751 33.574 -20.768 1.00 22.01 ? 403 ILE B CG1 1 ATOM 7374 C CG2 . ILE B 1 321 ? 20.084 34.540 -22.404 1.00 15.06 ? 403 ILE B CG2 1 ATOM 7375 C CD1 . ILE B 1 321 ? 20.926 32.338 -20.514 1.00 25.69 ? 403 ILE B CD1 1 ATOM 7376 N N . SER B 1 322 ? 23.250 35.149 -23.077 1.00 21.52 ? 404 SER B N 1 ATOM 7377 C CA . SER B 1 322 ? 23.723 34.964 -24.444 1.00 26.40 ? 404 SER B CA 1 ATOM 7378 C C . SER B 1 322 ? 23.862 33.477 -24.775 1.00 33.35 ? 404 SER B C 1 ATOM 7379 O O . SER B 1 322 ? 23.877 32.633 -23.879 1.00 28.31 ? 404 SER B O 1 ATOM 7380 C CB . SER B 1 322 ? 25.052 35.688 -24.671 1.00 24.24 ? 404 SER B CB 1 ATOM 7381 O OG . SER B 1 322 ? 26.089 35.110 -23.899 1.00 38.39 ? 404 SER B OG 1 ATOM 7382 N N . ASP B 1 323 ? 23.964 33.165 -26.064 1.00 46.65 ? 405 ASP B N 1 ATOM 7383 C CA . ASP B 1 323 ? 23.997 31.776 -26.523 1.00 40.14 ? 405 ASP B CA 1 ATOM 7384 C C . ASP B 1 323 ? 25.392 31.161 -26.520 1.00 38.17 ? 405 ASP B C 1 ATOM 7385 O O . ASP B 1 323 ? 25.560 29.989 -26.183 1.00 28.91 ? 405 ASP B O 1 ATOM 7386 C CB . ASP B 1 323 ? 23.385 31.663 -27.923 1.00 30.51 ? 405 ASP B CB 1 ATOM 7387 C CG . ASP B 1 323 ? 23.956 32.685 -28.893 1.00 38.76 ? 405 ASP B CG 1 ATOM 7388 O OD1 . ASP B 1 323 ? 24.337 33.783 -28.435 1.00 43.74 ? 405 ASP B OD1 1 ATOM 7389 O OD2 . ASP B 1 323 ? 24.025 32.396 -30.108 1.00 29.95 ? 405 ASP B OD2 1 ATOM 7390 N N . HIS B 1 324 ? 26.388 31.960 -26.886 1.00 35.66 ? 406 HIS B N 1 ATOM 7391 C CA . HIS B 1 324 ? 27.751 31.460 -27.009 1.00 34.19 ? 406 HIS B CA 1 ATOM 7392 C C . HIS B 1 324 ? 28.770 32.590 -27.014 1.00 31.29 ? 406 HIS B C 1 ATOM 7393 O O . HIS B 1 324 ? 28.434 33.749 -26.776 1.00 22.56 ? 406 HIS B O 1 ATOM 7394 C CB . HIS B 1 324 ? 27.899 30.633 -28.288 1.00 35.04 ? 406 HIS B CB 1 ATOM 7395 C CG . HIS B 1 324 ? 27.382 31.317 -29.515 1.00 34.56 ? 406 HIS B CG 1 ATOM 7396 N ND1 . HIS B 1 324 ? 27.899 32.507 -29.979 1.00 31.62 ? 406 HIS B ND1 1 ATOM 7397 C CD2 . HIS B 1 324 ? 26.393 30.976 -30.374 1.00 39.34 ? 406 HIS B CD2 1 ATOM 7398 C CE1 . HIS B 1 324 ? 27.249 32.872 -31.069 1.00 39.20 ? 406 HIS B CE1 1 ATOM 7399 N NE2 . HIS B 1 324 ? 26.330 31.959 -31.331 1.00 41.26 ? 406 HIS B NE2 1 ATOM 7400 N N . GLY B 1 325 ? 30.022 32.238 -27.286 1.00 34.70 ? 407 GLY B N 1 ATOM 7401 C CA . GLY B 1 325 ? 31.090 33.216 -27.349 1.00 33.72 ? 407 GLY B CA 1 ATOM 7402 C C . GLY B 1 325 ? 31.528 33.512 -28.770 1.00 36.41 ? 407 GLY B C 1 ATOM 7403 O O . GLY B 1 325 ? 30.753 33.350 -29.713 1.00 42.79 ? 407 GLY B O 1 HETATM 7404 N N . MSE B 1 326 ? 32.774 33.949 -28.924 1.00 34.43 ? 408 MSE B N 1 HETATM 7405 C CA . MSE B 1 326 ? 33.310 34.302 -30.235 1.00 34.44 ? 408 MSE B CA 1 HETATM 7406 C C . MSE B 1 326 ? 34.827 34.138 -30.275 1.00 32.59 ? 408 MSE B C 1 HETATM 7407 O O . MSE B 1 326 ? 35.534 34.563 -29.361 1.00 32.35 ? 408 MSE B O 1 HETATM 7408 C CB . MSE B 1 326 ? 32.930 35.740 -30.600 1.00 46.02 ? 408 MSE B CB 1 HETATM 7409 C CG . MSE B 1 326 ? 33.303 36.140 -32.019 1.00 52.81 ? 408 MSE B CG 1 HETATM 7410 SE SE . MSE B 1 326 ? 32.246 35.214 -33.371 1.00 62.35 ? 408 MSE B SE 1 HETATM 7411 C CE . MSE B 1 326 ? 30.519 36.039 -33.007 1.00 39.51 ? 408 MSE B CE 1 ATOM 7412 N N . GLU B 1 327 ? 35.322 33.520 -31.341 1.00 36.04 ? 409 GLU B N 1 ATOM 7413 C CA . GLU B 1 327 ? 36.754 33.296 -31.495 1.00 26.41 ? 409 GLU B CA 1 ATOM 7414 C C . GLU B 1 327 ? 37.251 33.803 -32.845 1.00 28.36 ? 409 GLU B C 1 ATOM 7415 O O . GLU B 1 327 ? 36.543 33.720 -33.848 1.00 33.25 ? 409 GLU B O 1 ATOM 7416 C CB . GLU B 1 327 ? 37.080 31.810 -31.333 1.00 28.73 ? 409 GLU B CB 1 ATOM 7417 C CG . GLU B 1 327 ? 38.565 31.493 -31.370 1.00 36.46 ? 409 GLU B CG 1 ATOM 7418 C CD . GLU B 1 327 ? 39.340 32.217 -30.286 1.00 33.45 ? 409 GLU B CD 1 ATOM 7419 O OE1 . GLU B 1 327 ? 40.106 33.143 -30.624 1.00 22.92 ? 409 GLU B OE1 1 ATOM 7420 O OE2 . GLU B 1 327 ? 39.186 31.859 -29.099 1.00 39.46 ? 409 GLU B OE2 1 ATOM 7421 N N . GLN B 1 328 ? 38.474 34.325 -32.863 1.00 29.34 ? 410 GLN B N 1 ATOM 7422 C CA . GLN B 1 328 ? 39.072 34.848 -34.087 1.00 34.46 ? 410 GLN B CA 1 ATOM 7423 C C . GLN B 1 328 ? 39.610 33.747 -34.996 1.00 36.24 ? 410 GLN B C 1 ATOM 7424 O O . GLN B 1 328 ? 40.562 33.047 -34.650 1.00 27.62 ? 410 GLN B O 1 ATOM 7425 C CB . GLN B 1 328 ? 40.198 35.828 -33.758 1.00 32.80 ? 410 GLN B CB 1 ATOM 7426 C CG . GLN B 1 328 ? 40.906 36.357 -34.987 1.00 31.25 ? 410 GLN B CG 1 ATOM 7427 C CD . GLN B 1 328 ? 39.952 37.026 -35.958 1.00 43.00 ? 410 GLN B CD 1 ATOM 7428 O OE1 . GLN B 1 328 ? 39.286 38.005 -35.618 1.00 52.07 ? 410 GLN B OE1 1 ATOM 7429 N NE2 . GLN B 1 328 ? 39.872 36.492 -37.171 1.00 39.73 ? 410 GLN B NE2 1 ATOM 7430 N N . GLY B 1 329 ? 38.986 33.596 -36.159 1.00 42.91 ? 411 GLY B N 1 ATOM 7431 C CA . GLY B 1 329 ? 39.414 32.611 -37.133 1.00 50.06 ? 411 GLY B CA 1 ATOM 7432 C C . GLY B 1 329 ? 40.584 33.108 -37.958 1.00 62.88 ? 411 GLY B C 1 ATOM 7433 O O . GLY B 1 329 ? 40.838 34.311 -38.033 1.00 64.00 ? 411 GLY B O 1 ATOM 7434 N N . SER B 1 330 ? 41.302 32.177 -38.576 1.00 68.40 ? 412 SER B N 1 ATOM 7435 C CA . SER B 1 330 ? 42.466 32.514 -39.386 1.00 65.22 ? 412 SER B CA 1 ATOM 7436 C C . SER B 1 330 ? 42.560 31.625 -40.620 1.00 65.43 ? 412 SER B C 1 ATOM 7437 O O . SER B 1 330 ? 42.134 30.471 -40.599 1.00 70.18 ? 412 SER B O 1 ATOM 7438 C CB . SER B 1 330 ? 43.745 32.390 -38.556 1.00 66.45 ? 412 SER B CB 1 ATOM 7439 O OG . SER B 1 330 ? 44.890 32.711 -39.326 1.00 64.09 ? 412 SER B OG 1 ATOM 7440 N N . CYS B 1 331 ? 43.115 32.172 -41.696 1.00 62.42 ? 413 CYS B N 1 ATOM 7441 C CA . CYS B 1 331 ? 43.327 31.407 -42.919 1.00 53.05 ? 413 CYS B CA 1 ATOM 7442 C C . CYS B 1 331 ? 44.417 30.363 -42.695 1.00 52.76 ? 413 CYS B C 1 ATOM 7443 O O . CYS B 1 331 ? 44.369 29.266 -43.252 1.00 52.85 ? 413 CYS B O 1 ATOM 7444 C CB . CYS B 1 331 ? 43.704 32.331 -44.079 1.00 44.51 ? 413 CYS B CB 1 ATOM 7445 S SG . CYS B 1 331 ? 42.426 33.528 -44.538 1.00 94.00 ? 413 CYS B SG 1 ATOM 7446 N N . LYS B 1 332 ? 45.396 30.721 -41.872 1.00 49.99 ? 414 LYS B N 1 ATOM 7447 C CA . LYS B 1 332 ? 46.516 29.842 -41.554 1.00 48.54 ? 414 LYS B CA 1 ATOM 7448 C C . LYS B 1 332 ? 46.103 28.698 -40.631 1.00 55.83 ? 414 LYS B C 1 ATOM 7449 O O . LYS B 1 332 ? 46.730 27.639 -40.623 1.00 64.07 ? 414 LYS B O 1 ATOM 7450 C CB . LYS B 1 332 ? 47.654 30.642 -40.916 1.00 36.62 ? 414 LYS B CB 1 ATOM 7451 N N . LYS B 1 333 ? 45.049 28.921 -39.853 1.00 59.57 ? 415 LYS B N 1 ATOM 7452 C CA . LYS B 1 333 ? 44.560 27.918 -38.912 1.00 55.81 ? 415 LYS B CA 1 ATOM 7453 C C . LYS B 1 333 ? 43.276 27.268 -39.418 1.00 49.55 ? 415 LYS B C 1 ATOM 7454 O O . LYS B 1 333 ? 42.215 27.413 -38.810 1.00 41.60 ? 415 LYS B O 1 ATOM 7455 C CB . LYS B 1 333 ? 44.342 28.536 -37.529 1.00 48.23 ? 415 LYS B CB 1 ATOM 7456 C CG . LYS B 1 333 ? 45.567 29.238 -36.964 1.00 48.06 ? 415 LYS B CG 1 ATOM 7457 C CD . LYS B 1 333 ? 45.406 29.536 -35.483 1.00 38.06 ? 415 LYS B CD 1 ATOM 7458 C CE . LYS B 1 333 ? 46.653 30.194 -34.915 1.00 30.15 ? 415 LYS B CE 1 ATOM 7459 N NZ . LYS B 1 333 ? 46.613 30.275 -33.428 1.00 26.86 ? 415 LYS B NZ 1 ATOM 7460 N N . TYR B 1 334 ? 43.377 26.554 -40.534 1.00 50.42 ? 416 TYR B N 1 ATOM 7461 C CA . TYR B 1 334 ? 42.223 25.868 -41.100 1.00 51.34 ? 416 TYR B CA 1 ATOM 7462 C C . TYR B 1 334 ? 42.602 24.482 -41.617 1.00 57.69 ? 416 TYR B C 1 ATOM 7463 O O . TYR B 1 334 ? 43.687 24.293 -42.165 1.00 67.47 ? 416 TYR B O 1 ATOM 7464 C CB . TYR B 1 334 ? 41.621 26.696 -42.234 1.00 39.82 ? 416 TYR B CB 1 ATOM 7465 C CG . TYR B 1 334 ? 40.113 26.671 -42.269 1.00 37.12 ? 416 TYR B CG 1 ATOM 7466 C CD1 . TYR B 1 334 ? 39.378 27.819 -42.005 1.00 34.50 ? 416 TYR B CD1 1 ATOM 7467 C CD2 . TYR B 1 334 ? 39.422 25.502 -42.552 1.00 41.54 ? 416 TYR B CD2 1 ATOM 7468 C CE1 . TYR B 1 334 ? 38.000 27.806 -42.032 1.00 33.30 ? 416 TYR B CE1 1 ATOM 7469 C CE2 . TYR B 1 334 ? 38.042 25.479 -42.579 1.00 40.33 ? 416 TYR B CE2 1 ATOM 7470 C CZ . TYR B 1 334 ? 37.337 26.634 -42.319 1.00 42.08 ? 416 TYR B CZ 1 ATOM 7471 O OH . TYR B 1 334 ? 35.962 26.617 -42.343 1.00 53.48 ? 416 TYR B OH 1 ATOM 7472 N N . VAL B 1 335 ? 41.706 23.517 -41.436 1.00 51.33 ? 417 VAL B N 1 ATOM 7473 C CA . VAL B 1 335 ? 41.969 22.136 -41.835 1.00 47.55 ? 417 VAL B CA 1 ATOM 7474 C C . VAL B 1 335 ? 41.111 21.695 -43.016 1.00 48.27 ? 417 VAL B C 1 ATOM 7475 O O . VAL B 1 335 ? 39.886 21.802 -42.978 1.00 42.73 ? 417 VAL B O 1 ATOM 7476 C CB . VAL B 1 335 ? 41.740 21.164 -40.661 1.00 52.14 ? 417 VAL B CB 1 ATOM 7477 C CG1 . VAL B 1 335 ? 41.914 19.726 -41.121 1.00 56.43 ? 417 VAL B CG1 1 ATOM 7478 C CG2 . VAL B 1 335 ? 42.683 21.485 -39.512 1.00 50.41 ? 417 VAL B CG2 1 ATOM 7479 N N . TYR B 1 336 ? 41.763 21.200 -44.064 1.00 57.94 ? 418 TYR B N 1 ATOM 7480 C CA . TYR B 1 336 ? 41.056 20.714 -45.244 1.00 63.68 ? 418 TYR B CA 1 ATOM 7481 C C . TYR B 1 336 ? 41.231 19.209 -45.422 1.00 62.04 ? 418 TYR B C 1 ATOM 7482 O O . TYR B 1 336 ? 42.351 18.717 -45.560 1.00 56.46 ? 418 TYR B O 1 ATOM 7483 C CB . TYR B 1 336 ? 41.545 21.452 -46.488 1.00 67.63 ? 418 TYR B CB 1 ATOM 7484 C CG . TYR B 1 336 ? 41.475 22.954 -46.361 1.00 59.90 ? 418 TYR B CG 1 ATOM 7485 C CD1 . TYR B 1 336 ? 40.254 23.615 -46.399 1.00 50.14 ? 418 TYR B CD1 1 ATOM 7486 C CD2 . TYR B 1 336 ? 42.627 23.711 -46.195 1.00 63.04 ? 418 TYR B CD2 1 ATOM 7487 C CE1 . TYR B 1 336 ? 40.181 24.988 -46.279 1.00 50.76 ? 418 TYR B CE1 1 ATOM 7488 C CE2 . TYR B 1 336 ? 42.566 25.087 -46.075 1.00 64.07 ? 418 TYR B CE2 1 ATOM 7489 C CZ . TYR B 1 336 ? 41.339 25.719 -46.118 1.00 57.80 ? 418 TYR B CZ 1 ATOM 7490 O OH . TYR B 1 336 ? 41.269 27.088 -46.000 1.00 53.49 ? 418 TYR B OH 1 ATOM 7491 N N . LEU B 1 337 ? 40.116 18.484 -45.413 1.00 65.52 ? 419 LEU B N 1 ATOM 7492 C CA . LEU B 1 337 ? 40.143 17.025 -45.475 1.00 72.12 ? 419 LEU B CA 1 ATOM 7493 C C . LEU B 1 337 ? 40.697 16.489 -46.792 1.00 80.79 ? 419 LEU B C 1 ATOM 7494 O O . LEU B 1 337 ? 41.202 15.366 -46.846 1.00 82.50 ? 419 LEU B O 1 ATOM 7495 C CB . LEU B 1 337 ? 38.749 16.445 -45.221 1.00 71.53 ? 419 LEU B CB 1 ATOM 7496 C CG . LEU B 1 337 ? 38.255 16.501 -43.774 1.00 68.40 ? 419 LEU B CG 1 ATOM 7497 C CD1 . LEU B 1 337 ? 36.811 16.038 -43.677 1.00 64.23 ? 419 LEU B CD1 1 ATOM 7498 C CD2 . LEU B 1 337 ? 39.152 15.666 -42.870 1.00 64.99 ? 419 LEU B CD2 1 ATOM 7499 N N . ASN B 1 338 ? 40.596 17.287 -47.852 1.00 81.64 ? 420 ASN B N 1 ATOM 7500 C CA . ASN B 1 338 ? 41.038 16.845 -49.173 1.00 77.70 ? 420 ASN B CA 1 ATOM 7501 C C . ASN B 1 338 ? 42.527 16.506 -49.220 1.00 77.46 ? 420 ASN B C 1 ATOM 7502 O O . ASN B 1 338 ? 42.960 15.672 -50.011 1.00 79.55 ? 420 ASN B O 1 ATOM 7503 C CB . ASN B 1 338 ? 40.677 17.879 -50.245 1.00 67.68 ? 420 ASN B CB 1 ATOM 7504 C CG . ASN B 1 338 ? 41.255 19.258 -49.958 1.00 68.06 ? 420 ASN B CG 1 ATOM 7505 O OD1 . ASN B 1 338 ? 42.401 19.396 -49.528 1.00 67.55 ? 420 ASN B OD1 1 ATOM 7506 N ND2 . ASN B 1 338 ? 40.457 20.289 -50.204 1.00 69.85 ? 420 ASN B ND2 1 ATOM 7507 N N . LYS B 1 339 ? 43.310 17.168 -48.376 1.00 72.41 ? 421 LYS B N 1 ATOM 7508 C CA . LYS B 1 339 ? 44.746 16.933 -48.340 1.00 72.67 ? 421 LYS B CA 1 ATOM 7509 C C . LYS B 1 339 ? 45.061 15.516 -47.871 1.00 80.20 ? 421 LYS B C 1 ATOM 7510 O O . LYS B 1 339 ? 46.128 14.973 -48.162 1.00 82.63 ? 421 LYS B O 1 ATOM 7511 C CB . LYS B 1 339 ? 45.436 17.963 -47.443 1.00 67.31 ? 421 LYS B CB 1 ATOM 7512 N N . TYR B 1 340 ? 44.117 14.923 -47.145 1.00 81.11 ? 422 TYR B N 1 ATOM 7513 C CA . TYR B 1 340 ? 44.278 13.568 -46.628 1.00 82.18 ? 422 TYR B CA 1 ATOM 7514 C C . TYR B 1 340 ? 43.387 12.540 -47.326 1.00 81.73 ? 422 TYR B C 1 ATOM 7515 O O . TYR B 1 340 ? 43.668 11.341 -47.300 1.00 80.85 ? 422 TYR B O 1 ATOM 7516 C CB . TYR B 1 340 ? 43.982 13.561 -45.129 1.00 79.45 ? 422 TYR B CB 1 ATOM 7517 C CG . TYR B 1 340 ? 44.733 14.627 -44.367 1.00 79.78 ? 422 TYR B CG 1 ATOM 7518 C CD1 . TYR B 1 340 ? 46.024 14.409 -43.907 1.00 83.91 ? 422 TYR B CD1 1 ATOM 7519 C CD2 . TYR B 1 340 ? 44.147 15.860 -44.116 1.00 75.81 ? 422 TYR B CD2 1 ATOM 7520 C CE1 . TYR B 1 340 ? 46.708 15.393 -43.212 1.00 83.24 ? 422 TYR B CE1 1 ATOM 7521 C CE2 . TYR B 1 340 ? 44.819 16.846 -43.426 1.00 74.20 ? 422 TYR B CE2 1 ATOM 7522 C CZ . TYR B 1 340 ? 46.099 16.608 -42.975 1.00 78.93 ? 422 TYR B CZ 1 ATOM 7523 O OH . TYR B 1 340 ? 46.766 17.595 -42.287 1.00 78.47 ? 422 TYR B OH 1 ATOM 7524 N N . LEU B 1 341 ? 42.313 13.015 -47.948 1.00 81.98 ? 423 LEU B N 1 ATOM 7525 C CA . LEU B 1 341 ? 41.337 12.135 -48.584 1.00 87.46 ? 423 LEU B CA 1 ATOM 7526 C C . LEU B 1 341 ? 41.353 12.271 -50.101 1.00 96.62 ? 423 LEU B C 1 ATOM 7527 O O . LEU B 1 341 ? 41.151 11.299 -50.830 1.00 104.38 ? 423 LEU B O 1 ATOM 7528 C CB . LEU B 1 341 ? 39.931 12.414 -48.050 1.00 81.63 ? 423 LEU B CB 1 ATOM 7529 N N . GLY B 1 342 ? 41.594 13.494 -50.563 1.00 94.13 ? 424 GLY B N 1 ATOM 7530 C CA . GLY B 1 342 ? 41.572 13.823 -51.975 1.00 90.98 ? 424 GLY B CA 1 ATOM 7531 C C . GLY B 1 342 ? 40.251 14.473 -52.320 1.00 91.92 ? 424 GLY B C 1 ATOM 7532 O O . GLY B 1 342 ? 39.326 14.472 -51.508 1.00 96.20 ? 424 GLY B O 1 ATOM 7533 N N . ASP B 1 343 ? 40.157 15.032 -53.520 1.00 86.79 ? 425 ASP B N 1 ATOM 7534 C CA . ASP B 1 343 ? 38.927 15.680 -53.958 1.00 85.57 ? 425 ASP B CA 1 ATOM 7535 C C . ASP B 1 343 ? 37.805 14.671 -54.186 1.00 87.27 ? 425 ASP B C 1 ATOM 7536 O O . ASP B 1 343 ? 37.371 14.459 -55.317 1.00 89.22 ? 425 ASP B O 1 ATOM 7537 C CB . ASP B 1 343 ? 39.177 16.493 -55.228 1.00 88.26 ? 425 ASP B CB 1 ATOM 7538 C CG . ASP B 1 343 ? 39.884 17.806 -54.946 1.00 85.93 ? 425 ASP B CG 1 ATOM 7539 O OD1 . ASP B 1 343 ? 41.132 17.835 -54.992 1.00 81.76 ? 425 ASP B OD1 1 ATOM 7540 O OD2 . ASP B 1 343 ? 39.191 18.809 -54.668 1.00 81.14 ? 425 ASP B OD2 1 ATOM 7541 N N . VAL B 1 344 ? 37.338 14.052 -53.106 1.00 84.88 ? 426 VAL B N 1 ATOM 7542 C CA . VAL B 1 344 ? 36.282 13.054 -53.204 1.00 82.62 ? 426 VAL B CA 1 ATOM 7543 C C . VAL B 1 344 ? 34.913 13.716 -53.103 1.00 85.16 ? 426 VAL B C 1 ATOM 7544 O O . VAL B 1 344 ? 34.777 14.799 -52.532 1.00 79.09 ? 426 VAL B O 1 ATOM 7545 C CB . VAL B 1 344 ? 36.419 11.975 -52.112 1.00 66.88 ? 426 VAL B CB 1 ATOM 7546 C CG1 . VAL B 1 344 ? 37.684 11.157 -52.332 1.00 49.78 ? 426 VAL B CG1 1 ATOM 7547 C CG2 . VAL B 1 344 ? 36.422 12.610 -50.732 1.00 66.81 ? 426 VAL B CG2 1 ATOM 7548 N N . ASN B 1 345 ? 33.902 13.063 -53.664 1.00 90.79 ? 427 ASN B N 1 ATOM 7549 C CA . ASN B 1 345 ? 32.550 13.605 -53.662 1.00 96.55 ? 427 ASN B CA 1 ATOM 7550 C C . ASN B 1 345 ? 31.537 12.624 -53.084 1.00 102.89 ? 427 ASN B C 1 ATOM 7551 O O . ASN B 1 345 ? 30.328 12.832 -53.189 1.00 111.68 ? 427 ASN B O 1 ATOM 7552 C CB . ASN B 1 345 ? 32.136 14.015 -55.076 1.00 106.45 ? 427 ASN B CB 1 ATOM 7553 C CG . ASN B 1 345 ? 33.003 15.127 -55.637 1.00 116.26 ? 427 ASN B CG 1 ATOM 7554 O OD1 . ASN B 1 345 ? 32.683 16.307 -55.498 1.00 119.03 ? 427 ASN B OD1 1 ATOM 7555 N ND2 . ASN B 1 345 ? 34.107 14.754 -56.274 1.00 118.94 ? 427 ASN B ND2 1 ATOM 7556 N N . ASN B 1 346 ? 32.037 11.555 -52.473 1.00 96.21 ? 428 ASN B N 1 ATOM 7557 C CA . ASN B 1 346 ? 31.174 10.541 -51.878 1.00 86.39 ? 428 ASN B CA 1 ATOM 7558 C C . ASN B 1 346 ? 30.798 10.882 -50.441 1.00 83.18 ? 428 ASN B C 1 ATOM 7559 O O . ASN B 1 346 ? 29.970 10.208 -49.829 1.00 87.20 ? 428 ASN B O 1 ATOM 7560 C CB . ASN B 1 346 ? 31.829 9.158 -51.946 1.00 77.64 ? 428 ASN B CB 1 ATOM 7561 C CG . ASN B 1 346 ? 33.169 9.110 -51.236 1.00 68.95 ? 428 ASN B CG 1 ATOM 7562 O OD1 . ASN B 1 346 ? 33.920 10.084 -51.235 1.00 68.32 ? 428 ASN B OD1 1 ATOM 7563 N ND2 . ASN B 1 346 ? 33.473 7.971 -50.623 1.00 60.34 ? 428 ASN B ND2 1 ATOM 7564 N N . VAL B 1 347 ? 31.413 11.933 -49.909 1.00 75.95 ? 429 VAL B N 1 ATOM 7565 C CA . VAL B 1 347 ? 31.170 12.344 -48.531 1.00 69.92 ? 429 VAL B CA 1 ATOM 7566 C C . VAL B 1 347 ? 30.800 13.822 -48.428 1.00 66.19 ? 429 VAL B C 1 ATOM 7567 O O . VAL B 1 347 ? 31.278 14.652 -49.202 1.00 63.65 ? 429 VAL B O 1 ATOM 7568 C CB . VAL B 1 347 ? 32.388 12.062 -47.624 1.00 66.72 ? 429 VAL B CB 1 ATOM 7569 C CG1 . VAL B 1 347 ? 32.619 10.563 -47.488 1.00 71.91 ? 429 VAL B CG1 1 ATOM 7570 C CG2 . VAL B 1 347 ? 33.630 12.756 -48.166 1.00 60.86 ? 429 VAL B CG2 1 ATOM 7571 N N . LYS B 1 348 ? 29.937 14.135 -47.467 1.00 73.45 ? 430 LYS B N 1 ATOM 7572 C CA . LYS B 1 348 ? 29.536 15.511 -47.202 1.00 78.41 ? 430 LYS B CA 1 ATOM 7573 C C . LYS B 1 348 ? 30.024 15.944 -45.826 1.00 59.32 ? 430 LYS B C 1 ATOM 7574 O O . LYS B 1 348 ? 29.871 15.215 -44.845 1.00 39.99 ? 430 LYS B O 1 ATOM 7575 C CB . LYS B 1 348 ? 28.015 15.659 -47.291 1.00 35.39 ? 430 LYS B CB 1 ATOM 7576 N N . VAL B 1 349 ? 30.616 17.131 -45.758 1.00 57.24 ? 431 VAL B N 1 ATOM 7577 C CA . VAL B 1 349 ? 31.189 17.629 -44.515 1.00 53.45 ? 431 VAL B CA 1 ATOM 7578 C C . VAL B 1 349 ? 30.540 18.940 -44.084 1.00 56.25 ? 431 VAL B C 1 ATOM 7579 O O . VAL B 1 349 ? 30.593 19.937 -44.804 1.00 55.52 ? 431 VAL B O 1 ATOM 7580 C CB . VAL B 1 349 ? 32.710 17.841 -44.637 1.00 46.65 ? 431 VAL B CB 1 ATOM 7581 C CG1 . VAL B 1 349 ? 33.267 18.436 -43.352 1.00 43.11 ? 431 VAL B CG1 1 ATOM 7582 C CG2 . VAL B 1 349 ? 33.403 16.529 -44.968 1.00 46.38 ? 431 VAL B CG2 1 ATOM 7583 N N . VAL B 1 350 ? 29.928 18.929 -42.904 1.00 54.89 ? 432 VAL B N 1 ATOM 7584 C CA . VAL B 1 350 ? 29.368 20.140 -42.319 1.00 54.41 ? 432 VAL B CA 1 ATOM 7585 C C . VAL B 1 350 ? 30.489 20.936 -41.668 1.00 53.54 ? 432 VAL B C 1 ATOM 7586 O O . VAL B 1 350 ? 30.918 20.628 -40.556 1.00 46.67 ? 432 VAL B O 1 ATOM 7587 C CB . VAL B 1 350 ? 28.294 19.815 -41.265 1.00 49.17 ? 432 VAL B CB 1 ATOM 7588 C CG1 . VAL B 1 350 ? 27.607 21.089 -40.795 1.00 39.13 ? 432 VAL B CG1 1 ATOM 7589 C CG2 . VAL B 1 350 ? 27.278 18.832 -41.826 1.00 52.25 ? 432 VAL B CG2 1 ATOM 7590 N N . TYR B 1 351 ? 30.965 21.958 -42.374 1.00 63.07 ? 433 TYR B N 1 ATOM 7591 C CA . TYR B 1 351 ? 32.154 22.695 -41.958 1.00 65.73 ? 433 TYR B CA 1 ATOM 7592 C C . TYR B 1 351 ? 31.978 23.423 -40.630 1.00 66.38 ? 433 TYR B C 1 ATOM 7593 O O . TYR B 1 351 ? 30.857 23.649 -40.174 1.00 65.64 ? 433 TYR B O 1 ATOM 7594 C CB . TYR B 1 351 ? 32.593 23.680 -43.047 1.00 67.44 ? 433 TYR B CB 1 ATOM 7595 C CG . TYR B 1 351 ? 31.626 24.822 -43.270 1.00 65.88 ? 433 TYR B CG 1 ATOM 7596 C CD1 . TYR B 1 351 ? 30.488 24.659 -44.050 1.00 64.11 ? 433 TYR B CD1 1 ATOM 7597 C CD2 . TYR B 1 351 ? 31.854 26.066 -42.696 1.00 64.21 ? 433 TYR B CD2 1 ATOM 7598 C CE1 . TYR B 1 351 ? 29.604 25.704 -44.250 1.00 63.62 ? 433 TYR B CE1 1 ATOM 7599 C CE2 . TYR B 1 351 ? 30.978 27.115 -42.890 1.00 69.90 ? 433 TYR B CE2 1 ATOM 7600 C CZ . TYR B 1 351 ? 29.855 26.930 -43.667 1.00 69.82 ? 433 TYR B CZ 1 ATOM 7601 O OH . TYR B 1 351 ? 28.982 27.976 -43.862 1.00 73.92 ? 433 TYR B OH 1 ATOM 7602 N N . GLY B 1 352 ? 33.100 23.788 -40.021 1.00 74.96 ? 434 GLY B N 1 ATOM 7603 C CA . GLY B 1 352 ? 33.097 24.456 -38.734 1.00 76.30 ? 434 GLY B CA 1 ATOM 7604 C C . GLY B 1 352 ? 34.066 23.809 -37.765 1.00 66.73 ? 434 GLY B C 1 ATOM 7605 O O . GLY B 1 352 ? 34.721 22.825 -38.105 1.00 67.87 ? 434 GLY B O 1 ATOM 7606 N N . PRO B 1 353 ? 34.162 24.362 -36.548 1.00 54.68 ? 435 PRO B N 1 ATOM 7607 C CA . PRO B 1 353 ? 35.022 23.794 -35.505 1.00 41.25 ? 435 PRO B CA 1 ATOM 7608 C C . PRO B 1 353 ? 34.423 22.519 -34.920 1.00 39.78 ? 435 PRO B C 1 ATOM 7609 O O . PRO B 1 353 ? 35.115 21.782 -34.219 1.00 46.37 ? 435 PRO B O 1 ATOM 7610 C CB . PRO B 1 353 ? 35.057 24.899 -34.448 1.00 31.30 ? 435 PRO B CB 1 ATOM 7611 C CG . PRO B 1 353 ? 33.777 25.624 -34.629 1.00 35.23 ? 435 PRO B CG 1 ATOM 7612 C CD . PRO B 1 353 ? 33.486 25.591 -36.101 1.00 46.25 ? 435 PRO B CD 1 ATOM 7613 N N . ALA B 1 354 ? 33.149 22.268 -35.206 1.00 34.02 ? 436 ALA B N 1 ATOM 7614 C CA . ALA B 1 354 ? 32.499 21.036 -34.777 1.00 40.30 ? 436 ALA B CA 1 ATOM 7615 C C . ALA B 1 354 ? 31.977 20.284 -35.996 1.00 43.62 ? 436 ALA B C 1 ATOM 7616 O O . ALA B 1 354 ? 30.769 20.193 -36.216 1.00 43.89 ? 436 ALA B O 1 ATOM 7617 C CB . ALA B 1 354 ? 31.363 21.341 -33.813 1.00 29.45 ? 436 ALA B CB 1 ATOM 7618 N N . ALA B 1 355 ? 32.903 19.747 -36.784 1.00 42.60 ? 437 ALA B N 1 ATOM 7619 C CA . ALA B 1 355 ? 32.569 19.114 -38.055 1.00 36.68 ? 437 ALA B CA 1 ATOM 7620 C C . ALA B 1 355 ? 31.984 17.712 -37.895 1.00 40.53 ? 437 ALA B C 1 ATOM 7621 O O . ALA B 1 355 ? 32.367 16.966 -36.994 1.00 36.69 ? 437 ALA B O 1 ATOM 7622 C CB . ALA B 1 355 ? 33.790 19.083 -38.968 1.00 35.53 ? 437 ALA B CB 1 ATOM 7623 N N . ARG B 1 356 ? 31.054 17.366 -38.779 1.00 53.81 ? 438 ARG B N 1 ATOM 7624 C CA . ARG B 1 356 ? 30.469 16.030 -38.816 1.00 62.66 ? 438 ARG B CA 1 ATOM 7625 C C . ARG B 1 356 ? 30.497 15.521 -40.254 1.00 63.44 ? 438 ARG B C 1 ATOM 7626 O O . ARG B 1 356 ? 30.500 16.317 -41.194 1.00 56.66 ? 438 ARG B O 1 ATOM 7627 C CB . ARG B 1 356 ? 29.038 16.062 -38.281 1.00 60.76 ? 438 ARG B CB 1 ATOM 7628 C CG . ARG B 1 356 ? 28.924 16.365 -36.795 1.00 47.45 ? 438 ARG B CG 1 ATOM 7629 C CD . ARG B 1 356 ? 27.503 16.757 -36.454 1.00 44.04 ? 438 ARG B CD 1 ATOM 7630 N NE . ARG B 1 356 ? 27.166 18.054 -37.028 1.00 47.75 ? 438 ARG B NE 1 ATOM 7631 C CZ . ARG B 1 356 ? 26.010 18.323 -37.624 1.00 61.75 ? 438 ARG B CZ 1 ATOM 7632 N NH1 . ARG B 1 356 ? 25.085 17.379 -37.729 1.00 67.73 ? 438 ARG B NH1 1 ATOM 7633 N NH2 . ARG B 1 356 ? 25.780 19.531 -38.119 1.00 62.90 ? 438 ARG B NH2 1 ATOM 7634 N N . LEU B 1 357 ? 30.509 14.204 -40.434 1.00 68.92 ? 439 LEU B N 1 ATOM 7635 C CA . LEU B 1 357 ? 30.654 13.647 -41.774 1.00 73.84 ? 439 LEU B CA 1 ATOM 7636 C C . LEU B 1 357 ? 29.603 12.591 -42.101 1.00 76.16 ? 439 LEU B C 1 ATOM 7637 O O . LEU B 1 357 ? 29.380 11.656 -41.332 1.00 79.85 ? 439 LEU B O 1 ATOM 7638 C CB . LEU B 1 357 ? 32.064 13.072 -41.961 1.00 68.49 ? 439 LEU B CB 1 ATOM 7639 C CG . LEU B 1 357 ? 32.500 12.672 -43.375 1.00 63.65 ? 439 LEU B CG 1 ATOM 7640 C CD1 . LEU B 1 357 ? 33.982 12.959 -43.561 1.00 61.71 ? 439 LEU B CD1 1 ATOM 7641 C CD2 . LEU B 1 357 ? 32.212 11.203 -43.648 1.00 60.78 ? 439 LEU B CD2 1 ATOM 7642 N N . ARG B 1 358 ? 28.965 12.758 -43.254 1.00 72.00 ? 440 ARG B N 1 ATOM 7643 C CA . ARG B 1 358 ? 28.005 11.790 -43.768 1.00 66.92 ? 440 ARG B CA 1 ATOM 7644 C C . ARG B 1 358 ? 28.261 11.553 -45.254 1.00 82.83 ? 440 ARG B C 1 ATOM 7645 O O . ARG B 1 358 ? 28.759 12.442 -45.948 1.00 87.49 ? 440 ARG B O 1 ATOM 7646 C CB . ARG B 1 358 ? 26.569 12.275 -43.547 1.00 49.44 ? 440 ARG B CB 1 ATOM 7647 C CG . ARG B 1 358 ? 26.218 13.557 -44.283 1.00 44.96 ? 440 ARG B CG 1 ATOM 7648 C CD . ARG B 1 358 ? 24.760 13.927 -44.073 1.00 43.82 ? 440 ARG B CD 1 ATOM 7649 N NE . ARG B 1 358 ? 24.403 15.161 -44.766 1.00 49.89 ? 440 ARG B NE 1 ATOM 7650 N N . PRO B 1 359 ? 27.933 10.351 -45.749 1.00 88.93 ? 441 PRO B N 1 ATOM 7651 C CA . PRO B 1 359 ? 28.109 10.058 -47.174 1.00 92.50 ? 441 PRO B CA 1 ATOM 7652 C C . PRO B 1 359 ? 27.122 10.861 -48.018 1.00 92.54 ? 441 PRO B C 1 ATOM 7653 O O . PRO B 1 359 ? 26.086 11.284 -47.505 1.00 90.30 ? 441 PRO B O 1 ATOM 7654 C CB . PRO B 1 359 ? 27.803 8.562 -47.266 1.00 97.39 ? 441 PRO B CB 1 ATOM 7655 C CG . PRO B 1 359 ? 26.913 8.294 -46.107 1.00 96.01 ? 441 PRO B CG 1 ATOM 7656 C CD . PRO B 1 359 ? 27.406 9.190 -45.011 1.00 91.93 ? 441 PRO B CD 1 ATOM 7657 N N . THR B 1 360 ? 27.441 11.067 -49.291 1.00 90.88 ? 442 THR B N 1 ATOM 7658 C CA . THR B 1 360 ? 26.564 11.813 -50.189 1.00 87.45 ? 442 THR B CA 1 ATOM 7659 C C . THR B 1 360 ? 25.288 11.030 -50.496 1.00 83.00 ? 442 THR B C 1 ATOM 7660 O O . THR B 1 360 ? 24.190 11.587 -50.495 1.00 76.65 ? 442 THR B O 1 ATOM 7661 C CB . THR B 1 360 ? 27.280 12.187 -51.503 1.00 92.17 ? 442 THR B CB 1 ATOM 7662 O OG1 . THR B 1 360 ? 28.491 12.893 -51.207 1.00 91.74 ? 442 THR B OG1 1 ATOM 7663 C CG2 . THR B 1 360 ? 26.385 13.058 -52.373 1.00 96.51 ? 442 THR B CG2 1 ATOM 7664 N N . ASP B 1 361 ? 25.443 9.735 -50.755 1.00 84.30 ? 443 ASP B N 1 ATOM 7665 C CA . ASP B 1 361 ? 24.311 8.851 -51.022 1.00 82.91 ? 443 ASP B CA 1 ATOM 7666 C C . ASP B 1 361 ? 23.569 8.506 -49.731 1.00 75.70 ? 443 ASP B C 1 ATOM 7667 O O . ASP B 1 361 ? 23.902 7.536 -49.052 1.00 78.33 ? 443 ASP B O 1 ATOM 7668 C CB . ASP B 1 361 ? 24.785 7.570 -51.709 1.00 85.86 ? 443 ASP B CB 1 ATOM 7669 N N . VAL B 1 362 ? 22.561 9.308 -49.400 1.00 70.51 ? 444 VAL B N 1 ATOM 7670 C CA . VAL B 1 362 ? 21.867 9.199 -48.120 1.00 69.27 ? 444 VAL B CA 1 ATOM 7671 C C . VAL B 1 362 ? 20.349 9.162 -48.348 1.00 66.18 ? 444 VAL B C 1 ATOM 7672 O O . VAL B 1 362 ? 19.827 9.904 -49.182 1.00 64.36 ? 444 VAL B O 1 ATOM 7673 C CB . VAL B 1 362 ? 22.282 10.374 -47.190 1.00 75.00 ? 444 VAL B CB 1 ATOM 7674 C CG1 . VAL B 1 362 ? 21.924 11.719 -47.813 1.00 71.18 ? 444 VAL B CG1 1 ATOM 7675 C CG2 . VAL B 1 362 ? 21.669 10.237 -45.812 1.00 79.40 ? 444 VAL B CG2 1 ATOM 7676 N N . PRO B 1 363 ? 19.630 8.280 -47.627 1.00 66.08 ? 445 PRO B N 1 ATOM 7677 C CA . PRO B 1 363 ? 20.074 7.330 -46.601 1.00 72.90 ? 445 PRO B CA 1 ATOM 7678 C C . PRO B 1 363 ? 20.451 5.961 -47.152 1.00 77.64 ? 445 PRO B C 1 ATOM 7679 O O . PRO B 1 363 ? 20.383 4.974 -46.418 1.00 71.45 ? 445 PRO B O 1 ATOM 7680 C CB . PRO B 1 363 ? 18.834 7.194 -45.720 1.00 71.92 ? 445 PRO B CB 1 ATOM 7681 C CG . PRO B 1 363 ? 17.706 7.321 -46.676 1.00 62.92 ? 445 PRO B CG 1 ATOM 7682 C CD . PRO B 1 363 ? 18.162 8.271 -47.765 1.00 58.99 ? 445 PRO B CD 1 ATOM 7683 N N . GLU B 1 364 ? 20.838 5.902 -48.421 1.00 86.79 ? 446 GLU B N 1 ATOM 7684 C CA . GLU B 1 364 ? 21.228 4.638 -49.028 1.00 92.81 ? 446 GLU B CA 1 ATOM 7685 C C . GLU B 1 364 ? 22.463 4.067 -48.339 1.00 91.52 ? 446 GLU B C 1 ATOM 7686 O O . GLU B 1 364 ? 22.537 2.867 -48.076 1.00 91.69 ? 446 GLU B O 1 ATOM 7687 C CB . GLU B 1 364 ? 21.490 4.816 -50.525 1.00 94.54 ? 446 GLU B CB 1 ATOM 7688 N N . THR B 1 365 ? 23.431 4.930 -48.044 1.00 89.30 ? 447 THR B N 1 ATOM 7689 C CA . THR B 1 365 ? 24.672 4.482 -47.424 1.00 92.26 ? 447 THR B CA 1 ATOM 7690 C C . THR B 1 365 ? 24.952 5.157 -46.084 1.00 94.45 ? 447 THR B C 1 ATOM 7691 O O . THR B 1 365 ? 26.106 5.257 -45.673 1.00 95.44 ? 447 THR B O 1 ATOM 7692 C CB . THR B 1 365 ? 25.878 4.716 -48.357 1.00 93.92 ? 447 THR B CB 1 ATOM 7693 O OG1 . THR B 1 365 ? 25.954 6.104 -48.706 1.00 90.82 ? 447 THR B OG1 1 ATOM 7694 C CG2 . THR B 1 365 ? 25.742 3.887 -49.624 1.00 98.40 ? 447 THR B CG2 1 ATOM 7695 N N . TYR B 1 366 ? 23.907 5.614 -45.401 1.00 93.17 ? 448 TYR B N 1 ATOM 7696 C CA . TYR B 1 366 ? 24.098 6.292 -44.121 1.00 87.30 ? 448 TYR B CA 1 ATOM 7697 C C . TYR B 1 366 ? 24.646 5.360 -43.042 1.00 80.91 ? 448 TYR B C 1 ATOM 7698 O O . TYR B 1 366 ? 25.434 5.780 -42.194 1.00 79.63 ? 448 TYR B O 1 ATOM 7699 C CB . TYR B 1 366 ? 22.786 6.916 -43.639 1.00 88.36 ? 448 TYR B CB 1 ATOM 7700 C CG . TYR B 1 366 ? 22.963 7.836 -42.450 1.00 85.53 ? 448 TYR B CG 1 ATOM 7701 C CD1 . TYR B 1 366 ? 23.263 9.180 -42.627 1.00 82.58 ? 448 TYR B CD1 1 ATOM 7702 C CD2 . TYR B 1 366 ? 22.840 7.359 -41.151 1.00 85.99 ? 448 TYR B CD2 1 ATOM 7703 C CE1 . TYR B 1 366 ? 23.431 10.024 -41.545 1.00 81.26 ? 448 TYR B CE1 1 ATOM 7704 C CE2 . TYR B 1 366 ? 23.009 8.195 -40.063 1.00 83.09 ? 448 TYR B CE2 1 ATOM 7705 C CZ . TYR B 1 366 ? 23.305 9.526 -40.266 1.00 80.27 ? 448 TYR B CZ 1 ATOM 7706 O OH . TYR B 1 366 ? 23.469 10.362 -39.186 1.00 74.79 ? 448 TYR B OH 1 ATOM 7707 N N . TYR B 1 367 ? 24.230 4.097 -43.073 1.00 79.57 ? 449 TYR B N 1 ATOM 7708 C CA . TYR B 1 367 ? 24.690 3.126 -42.084 1.00 76.73 ? 449 TYR B CA 1 ATOM 7709 C C . TYR B 1 367 ? 25.632 2.069 -42.659 1.00 85.00 ? 449 TYR B C 1 ATOM 7710 O O . TYR B 1 367 ? 26.481 1.536 -41.944 1.00 88.94 ? 449 TYR B O 1 ATOM 7711 C CB . TYR B 1 367 ? 23.486 2.436 -41.439 1.00 69.67 ? 449 TYR B CB 1 ATOM 7712 C CG . TYR B 1 367 ? 22.512 3.389 -40.783 1.00 68.31 ? 449 TYR B CG 1 ATOM 7713 C CD1 . TYR B 1 367 ? 22.714 3.830 -39.482 1.00 62.78 ? 449 TYR B CD1 1 ATOM 7714 C CD2 . TYR B 1 367 ? 21.390 3.847 -41.464 1.00 72.58 ? 449 TYR B CD2 1 ATOM 7715 C CE1 . TYR B 1 367 ? 21.828 4.701 -38.877 1.00 64.47 ? 449 TYR B CE1 1 ATOM 7716 C CE2 . TYR B 1 367 ? 20.498 4.718 -40.867 1.00 69.92 ? 449 TYR B CE2 1 ATOM 7717 C CZ . TYR B 1 367 ? 20.722 5.142 -39.573 1.00 70.82 ? 449 TYR B CZ 1 ATOM 7718 O OH . TYR B 1 367 ? 19.837 6.009 -38.974 1.00 69.85 ? 449 TYR B OH 1 ATOM 7719 N N . SER B 1 368 ? 25.478 1.769 -43.945 1.00 82.18 ? 450 SER B N 1 ATOM 7720 C CA . SER B 1 368 ? 26.314 0.766 -44.598 1.00 76.09 ? 450 SER B CA 1 ATOM 7721 C C . SER B 1 368 ? 27.767 1.227 -44.676 1.00 75.47 ? 450 SER B C 1 ATOM 7722 O O . SER B 1 368 ? 28.692 0.415 -44.622 1.00 73.73 ? 450 SER B O 1 ATOM 7723 C CB . SER B 1 368 ? 25.784 0.448 -45.999 1.00 73.36 ? 450 SER B CB 1 ATOM 7724 O OG . SER B 1 368 ? 25.781 1.600 -46.821 1.00 69.55 ? 450 SER B OG 1 ATOM 7725 N N . PHE B 1 369 ? 27.955 2.536 -44.812 1.00 76.00 ? 451 PHE B N 1 ATOM 7726 C CA . PHE B 1 369 ? 29.285 3.128 -44.872 1.00 80.57 ? 451 PHE B CA 1 ATOM 7727 C C . PHE B 1 369 ? 29.998 2.936 -43.538 1.00 90.13 ? 451 PHE B C 1 ATOM 7728 O O . PHE B 1 369 ? 29.471 3.296 -42.486 1.00 95.25 ? 451 PHE B O 1 ATOM 7729 C CB . PHE B 1 369 ? 29.184 4.621 -45.195 1.00 78.49 ? 451 PHE B CB 1 ATOM 7730 C CG . PHE B 1 369 ? 30.496 5.261 -45.556 1.00 89.69 ? 451 PHE B CG 1 ATOM 7731 C CD1 . PHE B 1 369 ? 31.573 4.493 -45.971 1.00 104.32 ? 451 PHE B CD1 1 ATOM 7732 C CD2 . PHE B 1 369 ? 30.651 6.635 -45.480 1.00 88.53 ? 451 PHE B CD2 1 ATOM 7733 C CE1 . PHE B 1 369 ? 32.778 5.085 -46.301 1.00 110.50 ? 451 PHE B CE1 1 ATOM 7734 C CE2 . PHE B 1 369 ? 31.852 7.232 -45.807 1.00 95.00 ? 451 PHE B CE2 1 ATOM 7735 C CZ . PHE B 1 369 ? 32.917 6.457 -46.219 1.00 105.45 ? 451 PHE B CZ 1 ATOM 7736 N N . ASN B 1 370 ? 31.196 2.364 -43.587 1.00 93.62 ? 452 ASN B N 1 ATOM 7737 C CA . ASN B 1 370 ? 32.006 2.191 -42.386 1.00 97.02 ? 452 ASN B CA 1 ATOM 7738 C C . ASN B 1 370 ? 32.890 3.402 -42.083 1.00 88.54 ? 452 ASN B C 1 ATOM 7739 O O . ASN B 1 370 ? 33.871 3.667 -42.779 1.00 83.74 ? 452 ASN B O 1 ATOM 7740 C CB . ASN B 1 370 ? 32.840 0.905 -42.470 1.00 100.91 ? 452 ASN B CB 1 ATOM 7741 C CG . ASN B 1 370 ? 33.762 0.881 -43.673 1.00 101.32 ? 452 ASN B CG 1 ATOM 7742 O OD1 . ASN B 1 370 ? 33.455 1.459 -44.714 1.00 107.35 ? 452 ASN B OD1 1 ATOM 7743 N ND2 . ASN B 1 370 ? 34.898 0.204 -43.536 1.00 95.17 ? 452 ASN B ND2 1 ATOM 7744 N N . TYR B 1 371 ? 32.527 4.139 -41.040 1.00 74.10 ? 453 TYR B N 1 ATOM 7745 C CA . TYR B 1 371 ? 33.251 5.347 -40.669 1.00 58.52 ? 453 TYR B CA 1 ATOM 7746 C C . TYR B 1 371 ? 34.552 4.990 -39.966 1.00 53.21 ? 453 TYR B C 1 ATOM 7747 O O . TYR B 1 371 ? 35.501 5.774 -39.969 1.00 54.33 ? 453 TYR B O 1 ATOM 7748 C CB . TYR B 1 371 ? 32.395 6.231 -39.757 1.00 51.95 ? 453 TYR B CB 1 ATOM 7749 C CG . TYR B 1 371 ? 31.063 6.636 -40.346 1.00 45.85 ? 453 TYR B CG 1 ATOM 7750 C CD1 . TYR B 1 371 ? 29.940 5.828 -40.209 1.00 48.25 ? 453 TYR B CD1 1 ATOM 7751 C CD2 . TYR B 1 371 ? 30.926 7.836 -41.033 1.00 45.09 ? 453 TYR B CD2 1 ATOM 7752 C CE1 . TYR B 1 371 ? 28.722 6.202 -40.748 1.00 50.57 ? 453 TYR B CE1 1 ATOM 7753 C CE2 . TYR B 1 371 ? 29.715 8.218 -41.572 1.00 50.45 ? 453 TYR B CE2 1 ATOM 7754 C CZ . TYR B 1 371 ? 28.616 7.397 -41.427 1.00 50.52 ? 453 TYR B CZ 1 ATOM 7755 O OH . TYR B 1 371 ? 27.407 7.775 -41.964 1.00 45.40 ? 453 TYR B OH 1 ATOM 7756 N N . GLU B 1 372 ? 34.578 3.812 -39.350 1.00 47.39 ? 454 GLU B N 1 ATOM 7757 C CA . GLU B 1 372 ? 35.728 3.369 -38.568 1.00 46.72 ? 454 GLU B CA 1 ATOM 7758 C C . GLU B 1 372 ? 37.003 3.362 -39.405 1.00 50.65 ? 454 GLU B C 1 ATOM 7759 O O . GLU B 1 372 ? 38.072 3.744 -38.926 1.00 46.90 ? 454 GLU B O 1 ATOM 7760 C CB . GLU B 1 372 ? 35.476 1.981 -37.975 1.00 31.02 ? 454 GLU B CB 1 ATOM 7761 N N . ALA B 1 373 ? 36.887 2.921 -40.653 1.00 64.17 ? 455 ALA B N 1 ATOM 7762 C CA . ALA B 1 373 ? 38.033 2.879 -41.553 1.00 69.30 ? 455 ALA B CA 1 ATOM 7763 C C . ALA B 1 373 ? 38.503 4.287 -41.909 1.00 63.32 ? 455 ALA B C 1 ATOM 7764 O O . ALA B 1 373 ? 39.702 4.564 -41.923 1.00 56.07 ? 455 ALA B O 1 ATOM 7765 C CB . ALA B 1 373 ? 37.688 2.098 -42.815 1.00 71.86 ? 455 ALA B CB 1 ATOM 7766 N N . LEU B 1 374 ? 37.551 5.169 -42.200 1.00 60.79 ? 456 LEU B N 1 ATOM 7767 C CA . LEU B 1 374 ? 37.860 6.552 -42.554 1.00 52.92 ? 456 LEU B CA 1 ATOM 7768 C C . LEU B 1 374 ? 38.470 7.303 -41.375 1.00 56.18 ? 456 LEU B C 1 ATOM 7769 O O . LEU B 1 374 ? 39.390 8.105 -41.545 1.00 61.72 ? 456 LEU B O 1 ATOM 7770 C CB . LEU B 1 374 ? 36.603 7.273 -43.047 1.00 46.43 ? 456 LEU B CB 1 ATOM 7771 C CG . LEU B 1 374 ? 36.774 8.756 -43.386 1.00 32.79 ? 456 LEU B CG 1 ATOM 7772 C CD1 . LEU B 1 374 ? 37.901 8.955 -44.390 1.00 38.53 ? 456 LEU B CD1 1 ATOM 7773 C CD2 . LEU B 1 374 ? 35.475 9.351 -43.908 1.00 33.08 ? 456 LEU B CD2 1 ATOM 7774 N N . ALA B 1 375 ? 37.954 7.031 -40.180 1.00 47.00 ? 457 ALA B N 1 ATOM 7775 C CA . ALA B 1 375 ? 38.443 7.669 -38.963 1.00 40.27 ? 457 ALA B CA 1 ATOM 7776 C C . ALA B 1 375 ? 39.882 7.264 -38.683 1.00 48.85 ? 457 ALA B C 1 ATOM 7777 O O . ALA B 1 375 ? 40.706 8.094 -38.300 1.00 55.07 ? 457 ALA B O 1 ATOM 7778 C CB . ALA B 1 375 ? 37.552 7.319 -37.783 1.00 38.41 ? 457 ALA B CB 1 ATOM 7779 N N . LYS B 1 376 ? 40.178 5.983 -38.874 1.00 47.91 ? 458 LYS B N 1 ATOM 7780 C CA . LYS B 1 376 ? 41.524 5.476 -38.654 1.00 37.02 ? 458 LYS B CA 1 ATOM 7781 C C . LYS B 1 376 ? 42.449 6.003 -39.744 1.00 39.62 ? 458 LYS B C 1 ATOM 7782 O O . LYS B 1 376 ? 43.655 6.143 -39.539 1.00 48.19 ? 458 LYS B O 1 ATOM 7783 C CB . LYS B 1 376 ? 41.536 3.945 -38.626 1.00 33.63 ? 458 LYS B CB 1 ATOM 7784 N N . ASN B 1 377 ? 41.873 6.290 -40.908 1.00 40.85 ? 459 ASN B N 1 ATOM 7785 C CA . ASN B 1 377 ? 42.643 6.793 -42.036 1.00 53.64 ? 459 ASN B CA 1 ATOM 7786 C C . ASN B 1 377 ? 42.915 8.289 -41.916 1.00 49.20 ? 459 ASN B C 1 ATOM 7787 O O . ASN B 1 377 ? 43.732 8.839 -42.654 1.00 57.75 ? 459 ASN B O 1 ATOM 7788 C CB . ASN B 1 377 ? 41.919 6.489 -43.351 1.00 69.21 ? 459 ASN B CB 1 ATOM 7789 C CG . ASN B 1 377 ? 42.871 6.320 -44.520 1.00 84.34 ? 459 ASN B CG 1 ATOM 7790 O OD1 . ASN B 1 377 ? 43.282 5.207 -44.849 1.00 90.08 ? 459 ASN B OD1 1 ATOM 7791 N ND2 . ASN B 1 377 ? 43.222 7.429 -45.160 1.00 84.58 ? 459 ASN B ND2 1 ATOM 7792 N N . LEU B 1 378 ? 42.224 8.943 -40.987 1.00 45.51 ? 460 LEU B N 1 ATOM 7793 C CA . LEU B 1 378 ? 42.368 10.384 -40.797 1.00 50.84 ? 460 LEU B CA 1 ATOM 7794 C C . LEU B 1 378 ? 43.086 10.730 -39.493 1.00 52.89 ? 460 LEU B C 1 ATOM 7795 O O . LEU B 1 378 ? 43.422 11.889 -39.248 1.00 53.00 ? 460 LEU B O 1 ATOM 7796 C CB . LEU B 1 378 ? 40.997 11.063 -40.829 1.00 41.05 ? 460 LEU B CB 1 ATOM 7797 C CG . LEU B 1 378 ? 40.324 11.227 -42.192 1.00 36.63 ? 460 LEU B CG 1 ATOM 7798 C CD1 . LEU B 1 378 ? 38.881 11.674 -42.023 1.00 35.27 ? 460 LEU B CD1 1 ATOM 7799 C CD2 . LEU B 1 378 ? 41.095 12.209 -43.058 1.00 40.16 ? 460 LEU B CD2 1 ATOM 7800 N N . SER B 1 379 ? 43.316 9.721 -38.661 1.00 46.92 ? 461 SER B N 1 ATOM 7801 C CA . SER B 1 379 ? 43.928 9.924 -37.352 1.00 38.70 ? 461 SER B CA 1 ATOM 7802 C C . SER B 1 379 ? 45.451 9.854 -37.412 1.00 43.68 ? 461 SER B C 1 ATOM 7803 O O . SER B 1 379 ? 46.014 9.003 -38.100 1.00 51.24 ? 461 SER B O 1 ATOM 7804 C CB . SER B 1 379 ? 43.386 8.907 -36.344 1.00 33.63 ? 461 SER B CB 1 ATOM 7805 O OG . SER B 1 379 ? 43.424 7.593 -36.872 1.00 47.25 ? 461 SER B OG 1 ATOM 7806 N N . CYS B 1 380 ? 46.103 10.759 -36.685 1.00 47.18 ? 462 CYS B N 1 ATOM 7807 C CA . CYS B 1 380 ? 47.562 10.791 -36.563 1.00 52.96 ? 462 CYS B CA 1 ATOM 7808 C C . CYS B 1 380 ? 48.264 10.937 -37.910 1.00 54.47 ? 462 CYS B C 1 ATOM 7809 O O . CYS B 1 380 ? 49.141 10.145 -38.248 1.00 47.95 ? 462 CYS B O 1 ATOM 7810 C CB . CYS B 1 380 ? 48.072 9.545 -35.833 1.00 64.94 ? 462 CYS B CB 1 ATOM 7811 S SG . CYS B 1 380 ? 47.308 9.218 -34.231 1.00 89.18 ? 462 CYS B SG 1 ATOM 7812 N N . ARG B 1 381 ? 47.872 11.950 -38.675 1.00 61.50 ? 463 ARG B N 1 ATOM 7813 C CA . ARG B 1 381 ? 48.468 12.191 -39.984 1.00 64.85 ? 463 ARG B CA 1 ATOM 7814 C C . ARG B 1 381 ? 49.511 13.305 -39.918 1.00 67.01 ? 463 ARG B C 1 ATOM 7815 O O . ARG B 1 381 ? 50.375 13.413 -40.788 1.00 67.07 ? 463 ARG B O 1 ATOM 7816 C CB . ARG B 1 381 ? 47.382 12.554 -40.998 1.00 65.57 ? 463 ARG B CB 1 ATOM 7817 C CG . ARG B 1 381 ? 46.263 11.521 -41.083 1.00 70.96 ? 463 ARG B CG 1 ATOM 7818 C CD . ARG B 1 381 ? 46.734 10.217 -41.716 1.00 79.44 ? 463 ARG B CD 1 ATOM 7819 N NE . ARG B 1 381 ? 46.161 9.994 -43.041 1.00 83.77 ? 463 ARG B NE 1 ATOM 7820 C CZ . ARG B 1 381 ? 46.710 10.414 -44.176 1.00 82.08 ? 463 ARG B CZ 1 ATOM 7821 N NH1 . ARG B 1 381 ? 47.858 11.078 -44.154 1.00 82.65 ? 463 ARG B NH1 1 ATOM 7822 N NH2 . ARG B 1 381 ? 46.114 10.165 -45.335 1.00 75.87 ? 463 ARG B NH2 1 ATOM 7823 N N . GLU B 1 382 ? 49.422 14.131 -38.880 1.00 75.31 ? 464 GLU B N 1 ATOM 7824 C CA . GLU B 1 382 ? 50.330 15.261 -38.702 1.00 84.38 ? 464 GLU B CA 1 ATOM 7825 C C . GLU B 1 382 ? 51.151 15.147 -37.422 1.00 88.20 ? 464 GLU B C 1 ATOM 7826 O O . GLU B 1 382 ? 50.724 14.502 -36.464 1.00 87.09 ? 464 GLU B O 1 ATOM 7827 C CB . GLU B 1 382 ? 49.526 16.567 -38.676 1.00 88.95 ? 464 GLU B CB 1 ATOM 7828 C CG . GLU B 1 382 ? 48.713 16.842 -39.924 1.00 95.86 ? 464 GLU B CG 1 ATOM 7829 C CD . GLU B 1 382 ? 49.579 17.209 -41.115 1.00 103.93 ? 464 GLU B CD 1 ATOM 7830 O OE1 . GLU B 1 382 ? 50.781 17.485 -40.919 1.00 106.62 ? 464 GLU B OE1 1 ATOM 7831 O OE2 . GLU B 1 382 ? 49.056 17.232 -42.249 1.00 107.57 ? 464 GLU B OE2 1 ATOM 7832 N N . PRO B 1 383 ? 52.345 15.767 -37.409 1.00 92.32 ? 465 PRO B N 1 ATOM 7833 C CA . PRO B 1 383 ? 53.202 15.756 -36.219 1.00 97.86 ? 465 PRO B CA 1 ATOM 7834 C C . PRO B 1 383 ? 52.504 16.417 -35.033 1.00 102.35 ? 465 PRO B C 1 ATOM 7835 O O . PRO B 1 383 ? 52.533 15.887 -33.923 1.00 111.94 ? 465 PRO B O 1 ATOM 7836 C CB . PRO B 1 383 ? 54.426 16.573 -36.653 1.00 94.82 ? 465 PRO B CB 1 ATOM 7837 C CG . PRO B 1 383 ? 53.968 17.368 -37.835 1.00 93.68 ? 465 PRO B CG 1 ATOM 7838 C CD . PRO B 1 383 ? 52.971 16.496 -38.526 1.00 92.74 ? 465 PRO B CD 1 ATOM 7839 N N . ASN B 1 384 ? 51.887 17.570 -35.276 1.00 84.96 ? 466 ASN B N 1 ATOM 7840 C CA . ASN B 1 384 ? 51.092 18.240 -34.256 1.00 68.48 ? 466 ASN B CA 1 ATOM 7841 C C . ASN B 1 384 ? 49.694 18.546 -34.787 1.00 58.91 ? 466 ASN B C 1 ATOM 7842 O O . ASN B 1 384 ? 49.332 19.706 -34.984 1.00 62.86 ? 466 ASN B O 1 ATOM 7843 C CB . ASN B 1 384 ? 51.784 19.523 -33.792 1.00 69.90 ? 466 ASN B CB 1 ATOM 7844 C CG . ASN B 1 384 ? 51.428 19.894 -32.366 1.00 77.64 ? 466 ASN B CG 1 ATOM 7845 O OD1 . ASN B 1 384 ? 51.930 19.295 -31.414 1.00 84.07 ? 466 ASN B OD1 1 ATOM 7846 N ND2 . ASN B 1 384 ? 50.564 20.890 -32.210 1.00 77.54 ? 466 ASN B ND2 1 ATOM 7847 N N . GLN B 1 385 ? 48.921 17.489 -35.025 1.00 50.65 ? 467 GLN B N 1 ATOM 7848 C CA . GLN B 1 385 ? 47.602 17.599 -35.642 1.00 50.24 ? 467 GLN B CA 1 ATOM 7849 C C . GLN B 1 385 ? 46.629 18.407 -34.788 1.00 53.34 ? 467 GLN B C 1 ATOM 7850 O O . GLN B 1 385 ? 46.535 18.198 -33.580 1.00 65.64 ? 467 GLN B O 1 ATOM 7851 C CB . GLN B 1 385 ? 47.044 16.197 -35.897 1.00 48.34 ? 467 GLN B CB 1 ATOM 7852 C CG . GLN B 1 385 ? 45.915 16.132 -36.912 1.00 48.67 ? 467 GLN B CG 1 ATOM 7853 C CD . GLN B 1 385 ? 45.580 14.705 -37.308 1.00 53.42 ? 467 GLN B CD 1 ATOM 7854 O OE1 . GLN B 1 385 ? 46.467 13.916 -37.636 1.00 54.43 ? 467 GLN B OE1 1 ATOM 7855 N NE2 . GLN B 1 385 ? 44.297 14.365 -37.271 1.00 58.50 ? 467 GLN B NE2 1 ATOM 7856 N N . HIS B 1 386 ? 45.905 19.325 -35.420 1.00 46.53 ? 468 HIS B N 1 ATOM 7857 C CA . HIS B 1 386 ? 44.996 20.208 -34.692 1.00 42.06 ? 468 HIS B CA 1 ATOM 7858 C C . HIS B 1 386 ? 43.539 19.756 -34.762 1.00 50.50 ? 468 HIS B C 1 ATOM 7859 O O . HIS B 1 386 ? 42.640 20.468 -34.313 1.00 46.10 ? 468 HIS B O 1 ATOM 7860 C CB . HIS B 1 386 ? 45.129 21.647 -35.196 1.00 44.96 ? 468 HIS B CB 1 ATOM 7861 C CG . HIS B 1 386 ? 46.477 22.249 -34.957 1.00 62.74 ? 468 HIS B CG 1 ATOM 7862 N ND1 . HIS B 1 386 ? 47.527 22.097 -35.836 1.00 77.53 ? 468 HIS B ND1 1 ATOM 7863 C CD2 . HIS B 1 386 ? 46.948 23.004 -33.936 1.00 72.46 ? 468 HIS B CD2 1 ATOM 7864 C CE1 . HIS B 1 386 ? 48.587 22.731 -35.368 1.00 84.56 ? 468 HIS B CE1 1 ATOM 7865 N NE2 . HIS B 1 386 ? 48.262 23.291 -34.216 1.00 79.96 ? 468 HIS B NE2 1 ATOM 7866 N N . PHE B 1 387 ? 43.308 18.576 -35.326 1.00 54.07 ? 469 PHE B N 1 ATOM 7867 C CA . PHE B 1 387 ? 41.975 17.980 -35.346 1.00 50.51 ? 469 PHE B CA 1 ATOM 7868 C C . PHE B 1 387 ? 42.049 16.494 -35.027 1.00 49.36 ? 469 PHE B C 1 ATOM 7869 O O . PHE B 1 387 ? 43.123 15.894 -35.087 1.00 52.19 ? 469 PHE B O 1 ATOM 7870 C CB . PHE B 1 387 ? 41.285 18.215 -36.694 1.00 52.59 ? 469 PHE B CB 1 ATOM 7871 C CG . PHE B 1 387 ? 41.810 17.351 -37.806 1.00 57.19 ? 469 PHE B CG 1 ATOM 7872 C CD1 . PHE B 1 387 ? 42.977 17.686 -38.472 1.00 59.32 ? 469 PHE B CD1 1 ATOM 7873 C CD2 . PHE B 1 387 ? 41.124 16.211 -38.195 1.00 51.60 ? 469 PHE B CD2 1 ATOM 7874 C CE1 . PHE B 1 387 ? 43.457 16.892 -39.495 1.00 56.86 ? 469 PHE B CE1 1 ATOM 7875 C CE2 . PHE B 1 387 ? 41.599 15.414 -39.218 1.00 51.34 ? 469 PHE B CE2 1 ATOM 7876 C CZ . PHE B 1 387 ? 42.767 15.755 -39.869 1.00 52.73 ? 469 PHE B CZ 1 ATOM 7877 N N . ARG B 1 388 ? 40.910 15.898 -34.691 1.00 44.38 ? 470 ARG B N 1 ATOM 7878 C CA . ARG B 1 388 ? 40.885 14.489 -34.321 1.00 42.44 ? 470 ARG B CA 1 ATOM 7879 C C . ARG B 1 388 ? 39.571 13.818 -34.699 1.00 47.57 ? 470 ARG B C 1 ATOM 7880 O O . ARG B 1 388 ? 38.496 14.286 -34.321 1.00 56.07 ? 470 ARG B O 1 ATOM 7881 C CB . ARG B 1 388 ? 41.147 14.328 -32.824 1.00 37.40 ? 470 ARG B CB 1 ATOM 7882 C CG . ARG B 1 388 ? 41.433 12.901 -32.395 1.00 39.38 ? 470 ARG B CG 1 ATOM 7883 C CD . ARG B 1 388 ? 41.843 12.853 -30.937 1.00 38.07 ? 470 ARG B CD 1 ATOM 7884 N NE . ARG B 1 388 ? 42.981 13.725 -30.670 1.00 38.65 ? 470 ARG B NE 1 ATOM 7885 C CZ . ARG B 1 388 ? 43.545 13.874 -29.477 1.00 45.72 ? 470 ARG B CZ 1 ATOM 7886 N NH1 . ARG B 1 388 ? 43.075 13.205 -28.433 1.00 51.77 ? 470 ARG B NH1 1 ATOM 7887 N NH2 . ARG B 1 388 ? 44.577 14.692 -29.328 1.00 52.25 ? 470 ARG B NH2 1 ATOM 7888 N N . PRO B 1 389 ? 39.658 12.714 -35.455 1.00 45.65 ? 471 PRO B N 1 ATOM 7889 C CA . PRO B 1 389 ? 38.480 11.937 -35.846 1.00 47.68 ? 471 PRO B CA 1 ATOM 7890 C C . PRO B 1 389 ? 37.885 11.222 -34.643 1.00 47.45 ? 471 PRO B C 1 ATOM 7891 O O . PRO B 1 389 ? 38.593 10.501 -33.939 1.00 52.89 ? 471 PRO B O 1 ATOM 7892 C CB . PRO B 1 389 ? 39.047 10.910 -36.835 1.00 47.13 ? 471 PRO B CB 1 ATOM 7893 C CG . PRO B 1 389 ? 40.375 11.461 -37.257 1.00 41.31 ? 471 PRO B CG 1 ATOM 7894 C CD . PRO B 1 389 ? 40.890 12.190 -36.064 1.00 39.98 ? 471 PRO B CD 1 ATOM 7895 N N . TYR B 1 390 ? 36.593 11.424 -34.413 1.00 32.58 ? 472 TYR B N 1 ATOM 7896 C CA . TYR B 1 390 ? 35.904 10.773 -33.309 1.00 30.03 ? 472 TYR B CA 1 ATOM 7897 C C . TYR B 1 390 ? 34.615 10.106 -33.753 1.00 31.63 ? 472 TYR B C 1 ATOM 7898 O O . TYR B 1 390 ? 33.743 10.766 -34.317 1.00 26.67 ? 472 TYR B O 1 ATOM 7899 C CB . TYR B 1 390 ? 35.576 11.785 -32.209 1.00 29.94 ? 472 TYR B CB 1 ATOM 7900 C CG . TYR B 1 390 ? 36.674 12.015 -31.200 1.00 36.03 ? 472 TYR B CG 1 ATOM 7901 C CD1 . TYR B 1 390 ? 36.951 11.071 -30.219 1.00 34.55 ? 472 TYR B CD1 1 ATOM 7902 C CD2 . TYR B 1 390 ? 37.416 13.187 -31.210 1.00 38.92 ? 472 TYR B CD2 1 ATOM 7903 C CE1 . TYR B 1 390 ? 37.949 11.283 -29.287 1.00 29.97 ? 472 TYR B CE1 1 ATOM 7904 C CE2 . TYR B 1 390 ? 38.413 13.408 -30.282 1.00 31.76 ? 472 TYR B CE2 1 ATOM 7905 C CZ . TYR B 1 390 ? 38.676 12.453 -29.324 1.00 35.26 ? 472 TYR B CZ 1 ATOM 7906 O OH . TYR B 1 390 ? 39.670 12.671 -28.399 1.00 47.58 ? 472 TYR B OH 1 ATOM 7907 N N . LEU B 1 391 ? 34.483 8.805 -33.518 1.00 40.32 ? 473 LEU B N 1 ATOM 7908 C CA . LEU B 1 391 ? 33.163 8.213 -33.625 1.00 47.67 ? 473 LEU B CA 1 ATOM 7909 C C . LEU B 1 391 ? 32.369 8.844 -32.487 1.00 45.95 ? 473 LEU B C 1 ATOM 7910 O O . LEU B 1 391 ? 32.928 9.115 -31.423 1.00 56.25 ? 473 LEU B O 1 ATOM 7911 C CB . LEU B 1 391 ? 33.207 6.688 -33.481 1.00 53.19 ? 473 LEU B CB 1 ATOM 7912 C CG . LEU B 1 391 ? 33.633 5.821 -34.675 1.00 50.10 ? 473 LEU B CG 1 ATOM 7913 C CD1 . LEU B 1 391 ? 32.870 6.189 -35.933 1.00 40.44 ? 473 LEU B CD1 1 ATOM 7914 C CD2 . LEU B 1 391 ? 35.140 5.897 -34.913 1.00 57.47 ? 473 LEU B CD2 1 ATOM 7915 N N . LYS B 1 392 ? 31.080 9.082 -32.700 1.00 44.02 ? 474 LYS B N 1 ATOM 7916 C CA . LYS B 1 392 ? 30.285 9.840 -31.727 1.00 47.65 ? 474 LYS B CA 1 ATOM 7917 C C . LYS B 1 392 ? 30.260 9.234 -30.302 1.00 50.62 ? 474 LYS B C 1 ATOM 7918 O O . LYS B 1 392 ? 30.226 9.986 -29.327 1.00 52.53 ? 474 LYS B O 1 ATOM 7919 C CB . LYS B 1 392 ? 28.869 10.114 -32.263 1.00 40.05 ? 474 LYS B CB 1 ATOM 7920 C CG . LYS B 1 392 ? 27.983 8.965 -32.661 1.00 34.64 ? 474 LYS B CG 1 ATOM 7921 C CD . LYS B 1 392 ? 26.601 9.535 -32.959 1.00 32.95 ? 474 LYS B CD 1 ATOM 7922 C CE . LYS B 1 392 ? 25.656 8.514 -33.558 1.00 38.05 ? 474 LYS B CE 1 ATOM 7923 N NZ . LYS B 1 392 ? 24.245 8.978 -33.437 1.00 41.52 ? 474 LYS B NZ 1 ATOM 7924 N N . PRO B 1 393 ? 30.276 7.890 -30.162 1.00 48.68 ? 475 PRO B N 1 ATOM 7925 C CA . PRO B 1 393 ? 30.324 7.450 -28.761 1.00 54.46 ? 475 PRO B CA 1 ATOM 7926 C C . PRO B 1 393 ? 31.709 7.568 -28.127 1.00 52.23 ? 475 PRO B C 1 ATOM 7927 O O . PRO B 1 393 ? 31.819 7.498 -26.903 1.00 48.62 ? 475 PRO B O 1 ATOM 7928 C CB . PRO B 1 393 ? 29.923 5.969 -28.843 1.00 56.21 ? 475 PRO B CB 1 ATOM 7929 C CG . PRO B 1 393 ? 29.285 5.801 -30.184 1.00 53.96 ? 475 PRO B CG 1 ATOM 7930 C CD . PRO B 1 393 ? 30.009 6.759 -31.069 1.00 46.82 ? 475 PRO B CD 1 ATOM 7931 N N . PHE B 1 394 ? 32.746 7.740 -28.938 1.00 57.05 ? 476 PHE B N 1 ATOM 7932 C CA . PHE B 1 394 ? 34.107 7.820 -28.414 1.00 56.41 ? 476 PHE B CA 1 ATOM 7933 C C . PHE B 1 394 ? 34.444 9.257 -28.023 1.00 51.64 ? 476 PHE B C 1 ATOM 7934 O O . PHE B 1 394 ? 35.529 9.538 -27.508 1.00 48.79 ? 476 PHE B O 1 ATOM 7935 C CB . PHE B 1 394 ? 35.127 7.261 -29.408 1.00 62.69 ? 476 PHE B CB 1 ATOM 7936 C CG . PHE B 1 394 ? 34.997 5.780 -29.640 1.00 66.70 ? 476 PHE B CG 1 ATOM 7937 C CD1 . PHE B 1 394 ? 34.380 4.971 -28.700 1.00 64.62 ? 476 PHE B CD1 1 ATOM 7938 C CD2 . PHE B 1 394 ? 35.501 5.196 -30.792 1.00 70.30 ? 476 PHE B CD2 1 ATOM 7939 C CE1 . PHE B 1 394 ? 34.264 3.609 -28.904 1.00 69.70 ? 476 PHE B CE1 1 ATOM 7940 C CE2 . PHE B 1 394 ? 35.388 3.834 -31.002 1.00 75.10 ? 476 PHE B CE2 1 ATOM 7941 C CZ . PHE B 1 394 ? 34.769 3.040 -30.057 1.00 77.03 ? 476 PHE B CZ 1 ATOM 7942 N N . LEU B 1 395 ? 33.498 10.158 -28.276 1.00 46.07 ? 477 LEU B N 1 ATOM 7943 C CA . LEU B 1 395 ? 33.602 11.552 -27.854 1.00 42.66 ? 477 LEU B CA 1 ATOM 7944 C C . LEU B 1 395 ? 33.556 11.652 -26.333 1.00 50.78 ? 477 LEU B C 1 ATOM 7945 O O . LEU B 1 395 ? 32.949 10.806 -25.677 1.00 54.16 ? 477 LEU B O 1 ATOM 7946 C CB . LEU B 1 395 ? 32.460 12.378 -28.452 1.00 44.41 ? 477 LEU B CB 1 ATOM 7947 C CG . LEU B 1 395 ? 32.639 12.953 -29.858 1.00 37.88 ? 477 LEU B CG 1 ATOM 7948 C CD1 . LEU B 1 395 ? 31.370 13.662 -30.303 1.00 23.21 ? 477 LEU B CD1 1 ATOM 7949 C CD2 . LEU B 1 395 ? 33.820 13.905 -29.887 1.00 29.12 ? 477 LEU B CD2 1 ATOM 7950 N N . PRO B 1 396 ? 34.208 12.684 -25.765 1.00 47.01 ? 478 PRO B N 1 ATOM 7951 C CA . PRO B 1 396 ? 34.139 12.939 -24.321 1.00 38.32 ? 478 PRO B CA 1 ATOM 7952 C C . PRO B 1 396 ? 32.699 13.046 -23.831 1.00 36.98 ? 478 PRO B C 1 ATOM 7953 O O . PRO B 1 396 ? 31.898 13.766 -24.428 1.00 42.49 ? 478 PRO B O 1 ATOM 7954 C CB . PRO B 1 396 ? 34.843 14.290 -24.181 1.00 34.58 ? 478 PRO B CB 1 ATOM 7955 C CG . PRO B 1 396 ? 35.819 14.308 -25.299 1.00 37.10 ? 478 PRO B CG 1 ATOM 7956 C CD . PRO B 1 396 ? 35.138 13.606 -26.442 1.00 38.69 ? 478 PRO B CD 1 ATOM 7957 N N . LYS B 1 397 ? 32.381 12.334 -22.754 1.00 29.95 ? 479 LYS B N 1 ATOM 7958 C CA . LYS B 1 397 ? 31.011 12.254 -22.257 1.00 25.80 ? 479 LYS B CA 1 ATOM 7959 C C . LYS B 1 397 ? 30.476 13.601 -21.780 1.00 24.30 ? 479 LYS B C 1 ATOM 7960 O O . LYS B 1 397 ? 29.265 13.826 -21.767 1.00 19.33 ? 479 LYS B O 1 ATOM 7961 C CB . LYS B 1 397 ? 30.908 11.221 -21.135 1.00 26.59 ? 479 LYS B CB 1 ATOM 7962 C CG . LYS B 1 397 ? 30.983 9.786 -21.629 1.00 39.51 ? 479 LYS B CG 1 ATOM 7963 C CD . LYS B 1 397 ? 29.798 9.457 -22.524 1.00 52.60 ? 479 LYS B CD 1 ATOM 7964 C CE . LYS B 1 397 ? 29.819 8.002 -22.958 1.00 55.28 ? 479 LYS B CE 1 ATOM 7965 N NZ . LYS B 1 397 ? 28.644 7.643 -23.798 1.00 57.42 ? 479 LYS B NZ 1 ATOM 7966 N N . ARG B 1 398 ? 31.384 14.488 -21.381 1.00 29.70 ? 480 ARG B N 1 ATOM 7967 C CA . ARG B 1 398 ? 31.005 15.801 -20.868 1.00 26.55 ? 480 ARG B CA 1 ATOM 7968 C C . ARG B 1 398 ? 30.266 16.624 -21.917 1.00 29.98 ? 480 ARG B C 1 ATOM 7969 O O . ARG B 1 398 ? 29.467 17.501 -21.586 1.00 29.90 ? 480 ARG B O 1 ATOM 7970 C CB . ARG B 1 398 ? 32.236 16.561 -20.368 1.00 24.68 ? 480 ARG B CB 1 ATOM 7971 C CG . ARG B 1 398 ? 33.324 16.748 -21.412 1.00 26.02 ? 480 ARG B CG 1 ATOM 7972 C CD . ARG B 1 398 ? 34.416 17.672 -20.903 1.00 21.47 ? 480 ARG B CD 1 ATOM 7973 N NE . ARG B 1 398 ? 35.527 17.792 -21.844 1.00 27.13 ? 480 ARG B NE 1 ATOM 7974 C CZ . ARG B 1 398 ? 35.607 18.717 -22.795 1.00 35.89 ? 480 ARG B CZ 1 ATOM 7975 N NH1 . ARG B 1 398 ? 34.635 19.608 -22.938 1.00 40.11 ? 480 ARG B NH1 1 ATOM 7976 N NH2 . ARG B 1 398 ? 36.656 18.750 -23.605 1.00 35.79 ? 480 ARG B NH2 1 ATOM 7977 N N . LEU B 1 399 ? 30.540 16.334 -23.184 1.00 27.97 ? 481 LEU B N 1 ATOM 7978 C CA . LEU B 1 399 ? 29.907 17.048 -24.281 1.00 35.87 ? 481 LEU B CA 1 ATOM 7979 C C . LEU B 1 399 ? 28.462 16.598 -24.473 1.00 36.87 ? 481 LEU B C 1 ATOM 7980 O O . LEU B 1 399 ? 27.621 17.375 -24.927 1.00 37.48 ? 481 LEU B O 1 ATOM 7981 C CB . LEU B 1 399 ? 30.702 16.858 -25.573 1.00 34.95 ? 481 LEU B CB 1 ATOM 7982 C CG . LEU B 1 399 ? 32.128 17.412 -25.536 1.00 31.66 ? 481 LEU B CG 1 ATOM 7983 C CD1 . LEU B 1 399 ? 32.857 17.130 -26.840 1.00 41.30 ? 481 LEU B CD1 1 ATOM 7984 C CD2 . LEU B 1 399 ? 32.116 18.903 -25.236 1.00 24.58 ? 481 LEU B CD2 1 ATOM 7985 N N . HIS B 1 400 ? 28.189 15.342 -24.122 1.00 34.24 ? 482 HIS B N 1 ATOM 7986 C CA . HIS B 1 400 ? 26.854 14.755 -24.270 1.00 37.46 ? 482 HIS B CA 1 ATOM 7987 C C . HIS B 1 400 ? 26.318 14.878 -25.694 1.00 41.65 ? 482 HIS B C 1 ATOM 7988 O O . HIS B 1 400 ? 25.250 15.447 -25.912 1.00 38.21 ? 482 HIS B O 1 ATOM 7989 C CB . HIS B 1 400 ? 25.860 15.355 -23.268 1.00 36.54 ? 482 HIS B CB 1 ATOM 7990 C CG . HIS B 1 400 ? 26.191 15.068 -21.837 1.00 35.56 ? 482 HIS B CG 1 ATOM 7991 N ND1 . HIS B 1 400 ? 25.872 13.874 -21.225 1.00 29.75 ? 482 HIS B ND1 1 ATOM 7992 C CD2 . HIS B 1 400 ? 26.804 15.821 -20.894 1.00 34.17 ? 482 HIS B CD2 1 ATOM 7993 C CE1 . HIS B 1 400 ? 26.280 13.903 -19.969 1.00 21.00 ? 482 HIS B CE1 1 ATOM 7994 N NE2 . HIS B 1 400 ? 26.848 15.073 -19.743 1.00 28.31 ? 482 HIS B NE2 1 ATOM 7995 N N . PHE B 1 401 ? 27.067 14.365 -26.663 1.00 43.30 ? 483 PHE B N 1 ATOM 7996 C CA . PHE B 1 401 ? 26.793 14.672 -28.059 1.00 35.37 ? 483 PHE B CA 1 ATOM 7997 C C . PHE B 1 401 ? 26.879 13.397 -28.890 1.00 37.31 ? 483 PHE B C 1 ATOM 7998 O O . PHE B 1 401 ? 27.681 13.294 -29.820 1.00 14.95 ? 483 PHE B O 1 ATOM 7999 C CB . PHE B 1 401 ? 27.754 15.750 -28.571 1.00 25.02 ? 483 PHE B CB 1 ATOM 8000 C CG . PHE B 1 401 ? 27.369 16.323 -29.903 1.00 26.36 ? 483 PHE B CG 1 ATOM 8001 C CD1 . PHE B 1 401 ? 26.265 17.150 -30.009 1.00 14.69 ? 483 PHE B CD1 1 ATOM 8002 C CD2 . PHE B 1 401 ? 28.117 16.062 -31.039 1.00 24.00 ? 483 PHE B CD2 1 ATOM 8003 C CE1 . PHE B 1 401 ? 25.895 17.689 -31.222 1.00 29.86 ? 483 PHE B CE1 1 ATOM 8004 C CE2 . PHE B 1 401 ? 27.753 16.603 -32.260 1.00 34.85 ? 483 PHE B CE2 1 ATOM 8005 C CZ . PHE B 1 401 ? 26.640 17.419 -32.349 1.00 37.86 ? 483 PHE B CZ 1 ATOM 8006 N N . ALA B 1 402 ? 26.063 12.414 -28.528 1.00 39.11 ? 484 ALA B N 1 ATOM 8007 C CA . ALA B 1 402 ? 26.085 11.114 -29.185 1.00 49.86 ? 484 ALA B CA 1 ATOM 8008 C C . ALA B 1 402 ? 24.690 10.564 -29.469 1.00 51.01 ? 484 ALA B C 1 ATOM 8009 O O . ALA B 1 402 ? 24.422 10.094 -30.574 1.00 58.05 ? 484 ALA B O 1 ATOM 8010 C CB . ALA B 1 402 ? 26.889 10.119 -28.360 1.00 62.41 ? 484 ALA B CB 1 ATOM 8011 N N . LYS B 1 403 ? 23.800 10.620 -28.480 1.00 50.08 ? 485 LYS B N 1 ATOM 8012 C CA . LYS B 1 403 ? 22.525 9.920 -28.598 1.00 44.18 ? 485 LYS B CA 1 ATOM 8013 C C . LYS B 1 403 ? 21.485 10.709 -29.383 1.00 50.23 ? 485 LYS B C 1 ATOM 8014 O O . LYS B 1 403 ? 20.454 11.119 -28.844 1.00 65.55 ? 485 LYS B O 1 ATOM 8015 C CB . LYS B 1 403 ? 21.969 9.592 -27.208 1.00 33.97 ? 485 LYS B CB 1 ATOM 8016 N N . SER B 1 404 ? 21.772 10.922 -30.662 1.00 42.87 ? 486 SER B N 1 ATOM 8017 C CA . SER B 1 404 ? 20.805 11.487 -31.591 1.00 37.82 ? 486 SER B CA 1 ATOM 8018 C C . SER B 1 404 ? 21.004 10.862 -32.972 1.00 46.19 ? 486 SER B C 1 ATOM 8019 O O . SER B 1 404 ? 22.128 10.532 -33.354 1.00 50.63 ? 486 SER B O 1 ATOM 8020 C CB . SER B 1 404 ? 20.957 13.004 -31.679 1.00 28.58 ? 486 SER B CB 1 ATOM 8021 O OG . SER B 1 404 ? 19.873 13.581 -32.384 1.00 22.51 ? 486 SER B OG 1 ATOM 8022 N N . ASP B 1 405 ? 19.919 10.705 -33.721 1.00 41.23 ? 487 ASP B N 1 ATOM 8023 C CA . ASP B 1 405 ? 20.000 10.181 -35.079 1.00 48.70 ? 487 ASP B CA 1 ATOM 8024 C C . ASP B 1 405 ? 20.670 11.206 -35.985 1.00 41.86 ? 487 ASP B C 1 ATOM 8025 O O . ASP B 1 405 ? 21.398 10.859 -36.917 1.00 38.83 ? 487 ASP B O 1 ATOM 8026 C CB . ASP B 1 405 ? 18.609 9.839 -35.617 1.00 62.20 ? 487 ASP B CB 1 ATOM 8027 C CG . ASP B 1 405 ? 18.030 8.595 -34.981 1.00 73.29 ? 487 ASP B CG 1 ATOM 8028 O OD1 . ASP B 1 405 ? 18.816 7.713 -34.575 1.00 74.72 ? 487 ASP B OD1 1 ATOM 8029 O OD2 . ASP B 1 405 ? 16.789 8.492 -34.898 1.00 77.48 ? 487 ASP B OD2 1 ATOM 8030 N N . ARG B 1 406 ? 20.416 12.476 -35.692 1.00 35.33 ? 488 ARG B N 1 ATOM 8031 C CA . ARG B 1 406 ? 20.880 13.575 -36.526 1.00 31.27 ? 488 ARG B CA 1 ATOM 8032 C C . ARG B 1 406 ? 22.383 13.800 -36.399 1.00 31.22 ? 488 ARG B C 1 ATOM 8033 O O . ARG B 1 406 ? 23.007 14.352 -37.305 1.00 45.86 ? 488 ARG B O 1 ATOM 8034 C CB . ARG B 1 406 ? 20.095 14.849 -36.210 1.00 31.32 ? 488 ARG B CB 1 ATOM 8035 C CG . ARG B 1 406 ? 18.596 14.638 -36.397 1.00 45.14 ? 488 ARG B CG 1 ATOM 8036 C CD . ARG B 1 406 ? 17.741 15.737 -35.801 1.00 42.36 ? 488 ARG B CD 1 ATOM 8037 N NE . ARG B 1 406 ? 16.343 15.322 -35.748 1.00 46.68 ? 488 ARG B NE 1 ATOM 8038 C CZ . ARG B 1 406 ? 15.353 16.060 -35.256 1.00 51.02 ? 488 ARG B CZ 1 ATOM 8039 N NH1 . ARG B 1 406 ? 15.599 17.269 -34.769 1.00 61.64 ? 488 ARG B NH1 1 ATOM 8040 N NH2 . ARG B 1 406 ? 14.114 15.586 -35.251 1.00 36.36 ? 488 ARG B NH2 1 ATOM 8041 N N . ILE B 1 407 ? 22.967 13.391 -35.278 1.00 25.69 ? 489 ILE B N 1 ATOM 8042 C CA . ILE B 1 407 ? 24.408 13.519 -35.132 1.00 31.68 ? 489 ILE B CA 1 ATOM 8043 C C . ILE B 1 407 ? 25.062 12.453 -36.001 1.00 29.78 ? 489 ILE B C 1 ATOM 8044 O O . ILE B 1 407 ? 24.733 11.270 -35.893 1.00 32.75 ? 489 ILE B O 1 ATOM 8045 C CB . ILE B 1 407 ? 24.880 13.363 -33.670 1.00 37.97 ? 489 ILE B CB 1 ATOM 8046 C CG1 . ILE B 1 407 ? 24.185 14.375 -32.763 1.00 32.70 ? 489 ILE B CG1 1 ATOM 8047 C CG2 . ILE B 1 407 ? 26.390 13.531 -33.572 1.00 35.18 ? 489 ILE B CG2 1 ATOM 8048 C CD1 . ILE B 1 407 ? 24.511 14.202 -31.300 1.00 33.16 ? 489 ILE B CD1 1 ATOM 8049 N N . GLU B 1 408 ? 25.987 12.872 -36.858 1.00 23.54 ? 490 GLU B N 1 ATOM 8050 C CA . GLU B 1 408 ? 26.704 11.947 -37.724 1.00 36.94 ? 490 GLU B CA 1 ATOM 8051 C C . GLU B 1 408 ? 27.588 11.023 -36.898 1.00 44.93 ? 490 GLU B C 1 ATOM 8052 O O . GLU B 1 408 ? 28.177 11.449 -35.904 1.00 61.89 ? 490 GLU B O 1 ATOM 8053 C CB . GLU B 1 408 ? 27.534 12.709 -38.757 1.00 41.68 ? 490 GLU B CB 1 ATOM 8054 C CG . GLU B 1 408 ? 26.727 13.199 -39.951 1.00 52.40 ? 490 GLU B CG 1 ATOM 8055 C CD . GLU B 1 408 ? 25.739 14.293 -39.602 1.00 70.53 ? 490 GLU B CD 1 ATOM 8056 O OE1 . GLU B 1 408 ? 26.032 15.095 -38.693 1.00 77.18 ? 490 GLU B OE1 1 ATOM 8057 O OE2 . GLU B 1 408 ? 24.669 14.355 -40.247 1.00 72.91 ? 490 GLU B OE2 1 ATOM 8058 N N . PRO B 1 409 ? 27.679 9.748 -37.307 1.00 39.07 ? 491 PRO B N 1 ATOM 8059 C CA . PRO B 1 409 ? 28.503 8.760 -36.603 1.00 34.16 ? 491 PRO B CA 1 ATOM 8060 C C . PRO B 1 409 ? 29.985 9.117 -36.598 1.00 39.30 ? 491 PRO B C 1 ATOM 8061 O O . PRO B 1 409 ? 30.749 8.531 -35.835 1.00 47.53 ? 491 PRO B O 1 ATOM 8062 C CB . PRO B 1 409 ? 28.267 7.477 -37.403 1.00 37.75 ? 491 PRO B CB 1 ATOM 8063 C CG . PRO B 1 409 ? 26.921 7.658 -38.004 1.00 43.69 ? 491 PRO B CG 1 ATOM 8064 C CD . PRO B 1 409 ? 26.840 9.121 -38.343 1.00 44.40 ? 491 PRO B CD 1 ATOM 8065 N N . LEU B 1 410 ? 30.380 10.072 -37.433 1.00 34.80 ? 492 LEU B N 1 ATOM 8066 C CA . LEU B 1 410 ? 31.751 10.562 -37.431 1.00 46.69 ? 492 LEU B CA 1 ATOM 8067 C C . LEU B 1 410 ? 31.801 12.064 -37.184 1.00 52.98 ? 492 LEU B C 1 ATOM 8068 O O . LEU B 1 410 ? 31.272 12.852 -37.967 1.00 54.60 ? 492 LEU B O 1 ATOM 8069 C CB . LEU B 1 410 ? 32.455 10.227 -38.746 1.00 52.28 ? 492 LEU B CB 1 ATOM 8070 C CG . LEU B 1 410 ? 33.874 10.788 -38.876 1.00 45.87 ? 492 LEU B CG 1 ATOM 8071 C CD1 . LEU B 1 410 ? 34.765 10.271 -37.756 1.00 39.25 ? 492 LEU B CD1 1 ATOM 8072 C CD2 . LEU B 1 410 ? 34.471 10.464 -40.238 1.00 54.32 ? 492 LEU B CD2 1 ATOM 8073 N N . THR B 1 411 ? 32.439 12.450 -36.085 1.00 54.65 ? 493 THR B N 1 ATOM 8074 C CA . THR B 1 411 ? 32.592 13.856 -35.741 1.00 48.33 ? 493 THR B CA 1 ATOM 8075 C C . THR B 1 411 ? 34.069 14.225 -35.667 1.00 44.65 ? 493 THR B C 1 ATOM 8076 O O . THR B 1 411 ? 34.939 13.356 -35.737 1.00 41.85 ? 493 THR B O 1 ATOM 8077 C CB . THR B 1 411 ? 31.918 14.187 -34.397 1.00 40.86 ? 493 THR B CB 1 ATOM 8078 O OG1 . THR B 1 411 ? 32.519 13.409 -33.355 1.00 43.93 ? 493 THR B OG1 1 ATOM 8079 C CG2 . THR B 1 411 ? 30.427 13.885 -34.459 1.00 33.56 ? 493 THR B CG2 1 ATOM 8080 N N . PHE B 1 412 ? 34.348 15.515 -35.521 1.00 54.56 ? 494 PHE B N 1 ATOM 8081 C CA . PHE B 1 412 ? 35.722 15.989 -35.428 1.00 56.69 ? 494 PHE B CA 1 ATOM 8082 C C . PHE B 1 412 ? 35.914 16.958 -34.265 1.00 63.94 ? 494 PHE B C 1 ATOM 8083 O O . PHE B 1 412 ? 35.183 17.940 -34.134 1.00 68.86 ? 494 PHE B O 1 ATOM 8084 C CB . PHE B 1 412 ? 36.153 16.658 -36.736 1.00 57.46 ? 494 PHE B CB 1 ATOM 8085 C CG . PHE B 1 412 ? 36.309 15.703 -37.884 1.00 67.54 ? 494 PHE B CG 1 ATOM 8086 C CD1 . PHE B 1 412 ? 37.512 15.052 -38.100 1.00 73.18 ? 494 PHE B CD1 1 ATOM 8087 C CD2 . PHE B 1 412 ? 35.256 15.460 -38.752 1.00 70.52 ? 494 PHE B CD2 1 ATOM 8088 C CE1 . PHE B 1 412 ? 37.663 14.172 -39.156 1.00 72.94 ? 494 PHE B CE1 1 ATOM 8089 C CE2 . PHE B 1 412 ? 35.401 14.581 -39.811 1.00 73.25 ? 494 PHE B CE2 1 ATOM 8090 C CZ . PHE B 1 412 ? 36.607 13.937 -40.013 1.00 72.74 ? 494 PHE B CZ 1 ATOM 8091 N N . TYR B 1 413 ? 36.901 16.674 -33.420 1.00 52.97 ? 495 TYR B N 1 ATOM 8092 C CA . TYR B 1 413 ? 37.263 17.582 -32.340 1.00 48.15 ? 495 TYR B CA 1 ATOM 8093 C C . TYR B 1 413 ? 38.480 18.394 -32.756 1.00 50.29 ? 495 TYR B C 1 ATOM 8094 O O . TYR B 1 413 ? 39.507 17.835 -33.143 1.00 53.15 ? 495 TYR B O 1 ATOM 8095 C CB . TYR B 1 413 ? 37.552 16.817 -31.048 1.00 34.85 ? 495 TYR B CB 1 ATOM 8096 C CG . TYR B 1 413 ? 37.862 17.723 -29.879 1.00 27.75 ? 495 TYR B CG 1 ATOM 8097 C CD1 . TYR B 1 413 ? 36.844 18.321 -29.150 1.00 25.91 ? 495 TYR B CD1 1 ATOM 8098 C CD2 . TYR B 1 413 ? 39.172 17.991 -29.512 1.00 21.80 ? 495 TYR B CD2 1 ATOM 8099 C CE1 . TYR B 1 413 ? 37.123 19.156 -28.086 1.00 24.75 ? 495 TYR B CE1 1 ATOM 8100 C CE2 . TYR B 1 413 ? 39.461 18.824 -28.450 1.00 20.13 ? 495 TYR B CE2 1 ATOM 8101 C CZ . TYR B 1 413 ? 38.434 19.404 -27.740 1.00 23.35 ? 495 TYR B CZ 1 ATOM 8102 O OH . TYR B 1 413 ? 38.719 20.233 -26.681 1.00 36.30 ? 495 TYR B OH 1 ATOM 8103 N N . LEU B 1 414 ? 38.360 19.714 -32.675 1.00 43.49 ? 496 LEU B N 1 ATOM 8104 C CA . LEU B 1 414 ? 39.434 20.596 -33.113 1.00 38.79 ? 496 LEU B CA 1 ATOM 8105 C C . LEU B 1 414 ? 40.030 21.446 -31.997 1.00 42.32 ? 496 LEU B C 1 ATOM 8106 O O . LEU B 1 414 ? 39.357 21.775 -31.018 1.00 47.55 ? 496 LEU B O 1 ATOM 8107 C CB . LEU B 1 414 ? 38.961 21.496 -34.254 1.00 39.19 ? 496 LEU B CB 1 ATOM 8108 C CG . LEU B 1 414 ? 38.861 20.825 -35.624 1.00 40.50 ? 496 LEU B CG 1 ATOM 8109 C CD1 . LEU B 1 414 ? 37.487 20.209 -35.833 1.00 36.24 ? 496 LEU B CD1 1 ATOM 8110 C CD2 . LEU B 1 414 ? 39.185 21.821 -36.715 1.00 46.80 ? 496 LEU B CD2 1 ATOM 8111 N N . ASP B 1 415 ? 41.305 21.790 -32.157 1.00 37.01 ? 497 ASP B N 1 ATOM 8112 C CA . ASP B 1 415 ? 41.995 22.682 -31.237 1.00 35.88 ? 497 ASP B CA 1 ATOM 8113 C C . ASP B 1 415 ? 41.357 24.068 -31.315 1.00 33.33 ? 497 ASP B C 1 ATOM 8114 O O . ASP B 1 415 ? 40.695 24.388 -32.301 1.00 27.26 ? 497 ASP B O 1 ATOM 8115 C CB . ASP B 1 415 ? 43.483 22.753 -31.597 1.00 42.05 ? 497 ASP B CB 1 ATOM 8116 C CG . ASP B 1 415 ? 44.215 21.456 -31.308 1.00 50.31 ? 497 ASP B CG 1 ATOM 8117 O OD1 . ASP B 1 415 ? 43.538 20.429 -31.080 1.00 52.55 ? 497 ASP B OD1 1 ATOM 8118 O OD2 . ASP B 1 415 ? 45.465 21.461 -31.311 1.00 38.56 ? 497 ASP B OD2 1 ATOM 8119 N N . PRO B 1 416 ? 41.542 24.892 -30.268 1.00 41.45 ? 498 PRO B N 1 ATOM 8120 C CA . PRO B 1 416 ? 40.996 26.257 -30.277 1.00 34.10 ? 498 PRO B CA 1 ATOM 8121 C C . PRO B 1 416 ? 41.500 27.085 -31.460 1.00 33.81 ? 498 PRO B C 1 ATOM 8122 O O . PRO B 1 416 ? 42.641 26.903 -31.889 1.00 29.90 ? 498 PRO B O 1 ATOM 8123 C CB . PRO B 1 416 ? 41.513 26.867 -28.968 1.00 33.24 ? 498 PRO B CB 1 ATOM 8124 C CG . PRO B 1 416 ? 42.193 25.781 -28.217 1.00 26.24 ? 498 PRO B CG 1 ATOM 8125 C CD . PRO B 1 416 ? 42.087 24.500 -28.957 1.00 33.60 ? 498 PRO B CD 1 ATOM 8126 N N . GLN B 1 417 ? 40.639 27.960 -31.979 1.00 44.31 ? 499 GLN B N 1 ATOM 8127 C CA . GLN B 1 417 ? 40.952 28.829 -33.119 1.00 44.46 ? 499 GLN B CA 1 ATOM 8128 C C . GLN B 1 417 ? 41.131 28.062 -34.430 1.00 38.33 ? 499 GLN B C 1 ATOM 8129 O O . GLN B 1 417 ? 41.732 28.573 -35.372 1.00 42.81 ? 499 GLN B O 1 ATOM 8130 C CB . GLN B 1 417 ? 42.184 29.700 -32.836 1.00 48.37 ? 499 GLN B CB 1 ATOM 8131 C CG . GLN B 1 417 ? 42.088 30.512 -31.556 1.00 58.39 ? 499 GLN B CG 1 ATOM 8132 C CD . GLN B 1 417 ? 43.362 31.272 -31.252 1.00 55.60 ? 499 GLN B CD 1 ATOM 8133 O OE1 . GLN B 1 417 ? 44.349 31.163 -31.978 1.00 53.67 ? 499 GLN B OE1 1 ATOM 8134 N NE2 . GLN B 1 417 ? 43.346 32.051 -30.175 1.00 56.37 ? 499 GLN B NE2 1 ATOM 8135 N N . TRP B 1 418 ? 40.610 26.841 -34.487 1.00 33.20 ? 500 TRP B N 1 ATOM 8136 C CA . TRP B 1 418 ? 40.750 26.012 -35.681 1.00 38.76 ? 500 TRP B CA 1 ATOM 8137 C C . TRP B 1 418 ? 39.398 25.517 -36.184 1.00 55.96 ? 500 TRP B C 1 ATOM 8138 O O . TRP B 1 418 ? 38.548 25.102 -35.398 1.00 77.59 ? 500 TRP B O 1 ATOM 8139 C CB . TRP B 1 418 ? 41.678 24.822 -35.413 1.00 36.65 ? 500 TRP B CB 1 ATOM 8140 C CG . TRP B 1 418 ? 43.139 25.178 -35.403 1.00 43.38 ? 500 TRP B CG 1 ATOM 8141 C CD1 . TRP B 1 418 ? 43.835 25.753 -34.380 1.00 49.80 ? 500 TRP B CD1 1 ATOM 8142 C CD2 . TRP B 1 418 ? 44.086 24.954 -36.455 1.00 49.83 ? 500 TRP B CD2 1 ATOM 8143 N NE1 . TRP B 1 418 ? 45.152 25.918 -34.735 1.00 52.04 ? 500 TRP B NE1 1 ATOM 8144 C CE2 . TRP B 1 418 ? 45.333 25.433 -36.004 1.00 49.31 ? 500 TRP B CE2 1 ATOM 8145 C CE3 . TRP B 1 418 ? 43.999 24.402 -37.736 1.00 54.65 ? 500 TRP B CE3 1 ATOM 8146 C CZ2 . TRP B 1 418 ? 46.483 25.377 -36.789 1.00 50.47 ? 500 TRP B CZ2 1 ATOM 8147 C CZ3 . TRP B 1 418 ? 45.143 24.346 -38.514 1.00 55.31 ? 500 TRP B CZ3 1 ATOM 8148 C CH2 . TRP B 1 418 ? 46.367 24.831 -38.038 1.00 53.03 ? 500 TRP B CH2 1 ATOM 8149 N N . GLN B 1 419 ? 39.209 25.563 -37.499 1.00 49.91 ? 501 GLN B N 1 ATOM 8150 C CA . GLN B 1 419 ? 37.992 25.056 -38.121 1.00 46.52 ? 501 GLN B CA 1 ATOM 8151 C C . GLN B 1 419 ? 38.339 23.991 -39.152 1.00 51.09 ? 501 GLN B C 1 ATOM 8152 O O . GLN B 1 419 ? 39.473 23.916 -39.622 1.00 58.89 ? 501 GLN B O 1 ATOM 8153 C CB . GLN B 1 419 ? 37.208 26.188 -38.788 1.00 46.50 ? 501 GLN B CB 1 ATOM 8154 C CG . GLN B 1 419 ? 36.815 27.314 -37.848 1.00 37.94 ? 501 GLN B CG 1 ATOM 8155 C CD . GLN B 1 419 ? 35.977 28.376 -38.530 1.00 37.19 ? 501 GLN B CD 1 ATOM 8156 O OE1 . GLN B 1 419 ? 36.470 29.453 -38.866 1.00 36.45 ? 501 GLN B OE1 1 ATOM 8157 N NE2 . GLN B 1 419 ? 34.702 28.074 -38.743 1.00 34.71 ? 501 GLN B NE2 1 ATOM 8158 N N . LEU B 1 420 ? 37.355 23.170 -39.500 1.00 51.01 ? 502 LEU B N 1 ATOM 8159 C CA . LEU B 1 420 ? 37.563 22.097 -40.464 1.00 53.43 ? 502 LEU B CA 1 ATOM 8160 C C . LEU B 1 420 ? 36.526 22.123 -41.582 1.00 65.75 ? 502 LEU B C 1 ATOM 8161 O O . LEU B 1 420 ? 35.352 22.411 -41.353 1.00 67.73 ? 502 LEU B O 1 ATOM 8162 C CB . LEU B 1 420 ? 37.548 20.738 -39.756 1.00 41.20 ? 502 LEU B CB 1 ATOM 8163 C CG . LEU B 1 420 ? 37.975 19.489 -40.533 1.00 42.28 ? 502 LEU B CG 1 ATOM 8164 C CD1 . LEU B 1 420 ? 38.710 18.529 -39.615 1.00 50.26 ? 502 LEU B CD1 1 ATOM 8165 C CD2 . LEU B 1 420 ? 36.778 18.794 -41.166 1.00 43.76 ? 502 LEU B CD2 1 ATOM 8166 N N . ALA B 1 421 ? 36.977 21.821 -42.794 1.00 70.73 ? 503 ALA B N 1 ATOM 8167 C CA . ALA B 1 421 ? 36.101 21.766 -43.956 1.00 69.10 ? 503 ALA B CA 1 ATOM 8168 C C . ALA B 1 421 ? 36.639 20.764 -44.970 1.00 78.32 ? 503 ALA B C 1 ATOM 8169 O O . ALA B 1 421 ? 37.796 20.351 -44.895 1.00 82.72 ? 503 ALA B O 1 ATOM 8170 C CB . ALA B 1 421 ? 35.963 23.142 -44.586 1.00 60.84 ? 503 ALA B CB 1 ATOM 8171 N N . LEU B 1 422 ? 35.793 20.373 -45.917 1.00 73.21 ? 504 LEU B N 1 ATOM 8172 C CA . LEU B 1 422 ? 36.193 19.439 -46.962 1.00 66.24 ? 504 LEU B CA 1 ATOM 8173 C C . LEU B 1 422 ? 37.086 20.135 -47.984 1.00 68.59 ? 504 LEU B C 1 ATOM 8174 O O . LEU B 1 422 ? 38.235 19.741 -48.190 1.00 67.88 ? 504 LEU B O 1 ATOM 8175 C CB . LEU B 1 422 ? 34.962 18.844 -47.648 1.00 56.35 ? 504 LEU B CB 1 ATOM 8176 C CG . LEU B 1 422 ? 35.230 17.868 -48.794 1.00 48.22 ? 504 LEU B CG 1 ATOM 8177 C CD1 . LEU B 1 422 ? 36.095 16.714 -48.316 1.00 51.12 ? 504 LEU B CD1 1 ATOM 8178 C CD2 . LEU B 1 422 ? 33.922 17.357 -49.375 1.00 40.12 ? 504 LEU B CD2 1 ATOM 8179 N N . ASN B 1 423 ? 36.552 21.172 -48.620 1.00 63.87 ? 505 ASN B N 1 ATOM 8180 C CA . ASN B 1 423 ? 37.304 21.947 -49.599 1.00 54.49 ? 505 ASN B CA 1 ATOM 8181 C C . ASN B 1 423 ? 37.292 23.430 -49.242 1.00 55.60 ? 505 ASN B C 1 ATOM 8182 O O . ASN B 1 423 ? 36.333 23.916 -48.643 1.00 67.74 ? 505 ASN B O 1 ATOM 8183 C CB . ASN B 1 423 ? 36.727 21.733 -51.001 1.00 43.95 ? 505 ASN B CB 1 ATOM 8184 N N . PRO B 1 424 ? 38.362 24.157 -49.607 1.00 56.77 ? 506 PRO B N 1 ATOM 8185 C CA . PRO B 1 424 ? 38.478 25.597 -49.337 1.00 62.38 ? 506 PRO B CA 1 ATOM 8186 C C . PRO B 1 424 ? 37.380 26.451 -49.974 1.00 76.33 ? 506 PRO B C 1 ATOM 8187 O O . PRO B 1 424 ? 37.297 27.641 -49.675 1.00 75.58 ? 506 PRO B O 1 ATOM 8188 C CB . PRO B 1 424 ? 39.834 25.954 -49.954 1.00 52.90 ? 506 PRO B CB 1 ATOM 8189 C CG . PRO B 1 424 ? 40.607 24.688 -49.916 1.00 54.24 ? 506 PRO B CG 1 ATOM 8190 C CD . PRO B 1 424 ? 39.604 23.605 -50.176 1.00 58.35 ? 506 PRO B CD 1 ATOM 8191 N N . SER B 1 425 ? 36.555 25.858 -50.832 1.00 90.04 ? 507 SER B N 1 ATOM 8192 C CA . SER B 1 425 ? 35.474 26.596 -51.474 1.00 100.53 ? 507 SER B CA 1 ATOM 8193 C C . SER B 1 425 ? 34.207 26.555 -50.626 1.00 91.22 ? 507 SER B C 1 ATOM 8194 O O . SER B 1 425 ? 33.148 27.015 -51.053 1.00 84.78 ? 507 SER B O 1 ATOM 8195 C CB . SER B 1 425 ? 35.193 26.033 -52.869 1.00 113.82 ? 507 SER B CB 1 ATOM 8196 O OG . SER B 1 425 ? 34.808 24.672 -52.800 1.00 120.76 ? 507 SER B OG 1 ATOM 8197 N N . TYR B 1 429 ? 34.177 32.154 -45.243 1.00 62.07 ? 511 TYR B N 1 ATOM 8198 C CA . TYR B 1 429 ? 35.455 32.846 -45.121 1.00 71.46 ? 511 TYR B CA 1 ATOM 8199 C C . TYR B 1 429 ? 36.293 32.226 -44.004 1.00 69.11 ? 511 TYR B C 1 ATOM 8200 O O . TYR B 1 429 ? 35.756 31.642 -43.063 1.00 69.87 ? 511 TYR B O 1 ATOM 8201 C CB . TYR B 1 429 ? 35.235 34.339 -44.868 1.00 78.06 ? 511 TYR B CB 1 ATOM 8202 C CG . TYR B 1 429 ? 36.492 35.172 -44.984 1.00 88.91 ? 511 TYR B CG 1 ATOM 8203 C CD1 . TYR B 1 429 ? 37.112 35.358 -46.213 1.00 98.64 ? 511 TYR B CD1 1 ATOM 8204 C CD2 . TYR B 1 429 ? 37.051 35.784 -43.871 1.00 86.98 ? 511 TYR B CD2 1 ATOM 8205 C CE1 . TYR B 1 429 ? 38.261 36.119 -46.327 1.00 100.72 ? 511 TYR B CE1 1 ATOM 8206 C CE2 . TYR B 1 429 ? 38.198 36.550 -43.975 1.00 88.71 ? 511 TYR B CE2 1 ATOM 8207 C CZ . TYR B 1 429 ? 38.799 36.714 -45.204 1.00 94.89 ? 511 TYR B CZ 1 ATOM 8208 O OH . TYR B 1 429 ? 39.941 37.474 -45.310 1.00 92.56 ? 511 TYR B OH 1 ATOM 8209 N N . CYS B 1 430 ? 37.610 32.356 -44.119 1.00 64.51 ? 512 CYS B N 1 ATOM 8210 C CA . CYS B 1 430 ? 38.545 31.704 -43.205 1.00 66.86 ? 512 CYS B CA 1 ATOM 8211 C C . CYS B 1 430 ? 39.010 32.595 -42.053 1.00 65.23 ? 512 CYS B C 1 ATOM 8212 O O . CYS B 1 430 ? 39.275 32.112 -40.952 1.00 67.48 ? 512 CYS B O 1 ATOM 8213 C CB . CYS B 1 430 ? 39.757 31.171 -43.976 1.00 67.50 ? 512 CYS B CB 1 ATOM 8214 S SG . CYS B 1 430 ? 40.725 32.451 -44.806 1.00 51.16 ? 512 CYS B SG 1 ATOM 8215 N N . GLY B 1 431 ? 39.110 33.894 -42.312 1.00 57.83 ? 513 GLY B N 1 ATOM 8216 C CA . GLY B 1 431 ? 39.628 34.835 -41.336 1.00 56.50 ? 513 GLY B CA 1 ATOM 8217 C C . GLY B 1 431 ? 38.562 35.675 -40.659 1.00 60.57 ? 513 GLY B C 1 ATOM 8218 O O . GLY B 1 431 ? 38.786 36.846 -40.346 1.00 55.13 ? 513 GLY B O 1 ATOM 8219 N N . SER B 1 432 ? 37.397 35.078 -40.431 1.00 67.43 ? 514 SER B N 1 ATOM 8220 C CA . SER B 1 432 ? 36.314 35.771 -39.747 1.00 61.74 ? 514 SER B CA 1 ATOM 8221 C C . SER B 1 432 ? 36.104 35.209 -38.346 1.00 56.23 ? 514 SER B C 1 ATOM 8222 O O . SER B 1 432 ? 36.563 34.110 -38.034 1.00 65.04 ? 514 SER B O 1 ATOM 8223 C CB . SER B 1 432 ? 35.014 35.676 -40.549 1.00 60.96 ? 514 SER B CB 1 ATOM 8224 O OG . SER B 1 432 ? 35.011 36.588 -41.632 1.00 67.99 ? 514 SER B OG 1 ATOM 8225 N N . GLY B 1 433 ? 35.412 35.969 -37.503 1.00 40.20 ? 515 GLY B N 1 ATOM 8226 C CA . GLY B 1 433 ? 35.087 35.508 -36.167 1.00 35.17 ? 515 GLY B CA 1 ATOM 8227 C C . GLY B 1 433 ? 34.137 34.332 -36.226 1.00 36.17 ? 515 GLY B C 1 ATOM 8228 O O . GLY B 1 433 ? 33.116 34.387 -36.913 1.00 29.35 ? 515 GLY B O 1 ATOM 8229 N N . PHE B 1 434 ? 34.463 33.265 -35.505 1.00 38.70 ? 516 PHE B N 1 ATOM 8230 C CA . PHE B 1 434 ? 33.625 32.076 -35.528 1.00 39.43 ? 516 PHE B CA 1 ATOM 8231 C C . PHE B 1 434 ? 33.341 31.569 -34.121 1.00 37.67 ? 516 PHE B C 1 ATOM 8232 O O . PHE B 1 434 ? 33.877 32.080 -33.138 1.00 37.37 ? 516 PHE B O 1 ATOM 8233 C CB . PHE B 1 434 ? 34.276 30.965 -36.357 1.00 37.91 ? 516 PHE B CB 1 ATOM 8234 C CG . PHE B 1 434 ? 35.412 30.268 -35.662 1.00 36.03 ? 516 PHE B CG 1 ATOM 8235 C CD1 . PHE B 1 434 ? 35.229 29.015 -35.100 1.00 31.09 ? 516 PHE B CD1 1 ATOM 8236 C CD2 . PHE B 1 434 ? 36.661 30.862 -35.571 1.00 34.83 ? 516 PHE B CD2 1 ATOM 8237 C CE1 . PHE B 1 434 ? 36.268 28.366 -34.460 1.00 30.14 ? 516 PHE B CE1 1 ATOM 8238 C CE2 . PHE B 1 434 ? 37.705 30.218 -34.932 1.00 35.36 ? 516 PHE B CE2 1 ATOM 8239 C CZ . PHE B 1 434 ? 37.508 28.968 -34.376 1.00 36.00 ? 516 PHE B CZ 1 ATOM 8240 N N . HIS B 1 435 ? 32.491 30.554 -34.044 1.00 25.65 ? 517 HIS B N 1 ATOM 8241 C CA . HIS B 1 435 ? 32.182 29.881 -32.793 1.00 20.04 ? 517 HIS B CA 1 ATOM 8242 C C . HIS B 1 435 ? 31.655 28.483 -33.089 1.00 25.11 ? 517 HIS B C 1 ATOM 8243 O O . HIS B 1 435 ? 31.338 28.164 -34.234 1.00 29.10 ? 517 HIS B O 1 ATOM 8244 C CB . HIS B 1 435 ? 31.166 30.692 -31.985 1.00 19.25 ? 517 HIS B CB 1 ATOM 8245 C CG . HIS B 1 435 ? 29.965 31.112 -32.772 1.00 24.06 ? 517 HIS B CG 1 ATOM 8246 N ND1 . HIS B 1 435 ? 28.908 30.266 -33.029 1.00 30.50 ? 517 HIS B ND1 1 ATOM 8247 C CD2 . HIS B 1 435 ? 29.653 32.293 -33.358 1.00 15.38 ? 517 HIS B CD2 1 ATOM 8248 C CE1 . HIS B 1 435 ? 27.998 30.907 -33.742 1.00 31.46 ? 517 HIS B CE1 1 ATOM 8249 N NE2 . HIS B 1 435 ? 28.426 32.138 -33.954 1.00 20.08 ? 517 HIS B NE2 1 ATOM 8250 N N . GLY B 1 436 ? 31.561 27.652 -32.057 1.00 31.58 ? 518 GLY B N 1 ATOM 8251 C CA . GLY B 1 436 ? 31.149 26.273 -32.231 1.00 34.35 ? 518 GLY B CA 1 ATOM 8252 C C . GLY B 1 436 ? 32.163 25.326 -31.621 1.00 37.75 ? 518 GLY B C 1 ATOM 8253 O O . GLY B 1 436 ? 31.965 24.111 -31.599 1.00 31.20 ? 518 GLY B O 1 ATOM 8254 N N . SER B 1 437 ? 33.258 25.895 -31.124 1.00 41.17 ? 519 SER B N 1 ATOM 8255 C CA . SER B 1 437 ? 34.315 25.128 -30.473 1.00 36.73 ? 519 SER B CA 1 ATOM 8256 C C . SER B 1 437 ? 33.847 24.506 -29.159 1.00 43.71 ? 519 SER B C 1 ATOM 8257 O O . SER B 1 437 ? 32.698 24.683 -28.750 1.00 43.37 ? 519 SER B O 1 ATOM 8258 C CB . SER B 1 437 ? 35.538 26.012 -30.223 1.00 29.34 ? 519 SER B CB 1 ATOM 8259 O OG . SER B 1 437 ? 36.099 26.470 -31.442 1.00 44.33 ? 519 SER B OG 1 ATOM 8260 N N . ASP B 1 438 ? 34.749 23.768 -28.515 1.00 41.43 ? 520 ASP B N 1 ATOM 8261 C CA . ASP B 1 438 ? 34.476 23.105 -27.242 1.00 35.87 ? 520 ASP B CA 1 ATOM 8262 C C . ASP B 1 438 ? 33.914 24.079 -26.206 1.00 36.49 ? 520 ASP B C 1 ATOM 8263 O O . ASP B 1 438 ? 34.424 25.187 -26.040 1.00 36.78 ? 520 ASP B O 1 ATOM 8264 C CB . ASP B 1 438 ? 35.752 22.448 -26.710 1.00 30.46 ? 520 ASP B CB 1 ATOM 8265 C CG . ASP B 1 438 ? 35.513 21.638 -25.450 1.00 31.38 ? 520 ASP B CG 1 ATOM 8266 O OD1 . ASP B 1 438 ? 34.344 21.332 -25.144 1.00 46.68 ? 520 ASP B OD1 1 ATOM 8267 O OD2 . ASP B 1 438 ? 36.498 21.311 -24.759 1.00 24.69 ? 520 ASP B OD2 1 ATOM 8268 N N . ASN B 1 439 ? 32.854 23.661 -25.520 1.00 32.58 ? 521 ASN B N 1 ATOM 8269 C CA . ASN B 1 439 ? 32.160 24.534 -24.576 1.00 35.97 ? 521 ASN B CA 1 ATOM 8270 C C . ASN B 1 439 ? 32.943 24.810 -23.294 1.00 40.55 ? 521 ASN B C 1 ATOM 8271 O O . ASN B 1 439 ? 32.484 25.556 -22.430 1.00 41.75 ? 521 ASN B O 1 ATOM 8272 C CB . ASN B 1 439 ? 30.764 23.993 -24.247 1.00 29.92 ? 521 ASN B CB 1 ATOM 8273 C CG . ASN B 1 439 ? 30.796 22.577 -23.708 1.00 25.38 ? 521 ASN B CG 1 ATOM 8274 O OD1 . ASN B 1 439 ? 31.854 21.953 -23.636 1.00 28.26 ? 521 ASN B OD1 1 ATOM 8275 N ND2 . ASN B 1 439 ? 29.632 22.061 -23.327 1.00 16.48 ? 521 ASN B ND2 1 ATOM 8276 N N . LEU B 1 440 ? 34.124 24.211 -23.174 1.00 42.40 ? 522 LEU B N 1 ATOM 8277 C CA . LEU B 1 440 ? 34.994 24.476 -22.036 1.00 33.55 ? 522 LEU B CA 1 ATOM 8278 C C . LEU B 1 440 ? 36.098 25.468 -22.385 1.00 36.61 ? 522 LEU B C 1 ATOM 8279 O O . LEU B 1 440 ? 36.910 25.829 -21.533 1.00 42.47 ? 522 LEU B O 1 ATOM 8280 C CB . LEU B 1 440 ? 35.604 23.180 -21.498 1.00 30.82 ? 522 LEU B CB 1 ATOM 8281 C CG . LEU B 1 440 ? 34.676 22.286 -20.671 1.00 38.03 ? 522 LEU B CG 1 ATOM 8282 C CD1 . LEU B 1 440 ? 35.452 21.135 -20.053 1.00 42.23 ? 522 LEU B CD1 1 ATOM 8283 C CD2 . LEU B 1 440 ? 33.970 23.098 -19.594 1.00 36.15 ? 522 LEU B CD2 1 ATOM 8284 N N . PHE B 1 441 ? 36.130 25.902 -23.640 1.00 34.90 ? 523 PHE B N 1 ATOM 8285 C CA . PHE B 1 441 ? 37.116 26.884 -24.074 1.00 29.87 ? 523 PHE B CA 1 ATOM 8286 C C . PHE B 1 441 ? 36.771 28.251 -23.492 1.00 31.35 ? 523 PHE B C 1 ATOM 8287 O O . PHE B 1 441 ? 35.600 28.574 -23.299 1.00 35.07 ? 523 PHE B O 1 ATOM 8288 C CB . PHE B 1 441 ? 37.205 26.947 -25.601 1.00 26.33 ? 523 PHE B CB 1 ATOM 8289 C CG . PHE B 1 441 ? 37.872 25.748 -26.221 1.00 23.19 ? 523 PHE B CG 1 ATOM 8290 C CD1 . PHE B 1 441 ? 38.497 24.798 -25.431 1.00 24.89 ? 523 PHE B CD1 1 ATOM 8291 C CD2 . PHE B 1 441 ? 37.880 25.576 -27.594 1.00 37.56 ? 523 PHE B CD2 1 ATOM 8292 C CE1 . PHE B 1 441 ? 39.113 23.698 -25.999 1.00 31.56 ? 523 PHE B CE1 1 ATOM 8293 C CE2 . PHE B 1 441 ? 38.495 24.477 -28.168 1.00 40.08 ? 523 PHE B CE2 1 ATOM 8294 C CZ . PHE B 1 441 ? 39.111 23.538 -27.368 1.00 35.40 ? 523 PHE B CZ 1 ATOM 8295 N N . SER B 1 442 ? 37.800 29.043 -23.209 1.00 27.31 ? 524 SER B N 1 ATOM 8296 C CA . SER B 1 442 ? 37.639 30.333 -22.545 1.00 29.34 ? 524 SER B CA 1 ATOM 8297 C C . SER B 1 442 ? 36.748 31.316 -23.304 1.00 33.05 ? 524 SER B C 1 ATOM 8298 O O . SER B 1 442 ? 35.897 31.976 -22.708 1.00 42.43 ? 524 SER B O 1 ATOM 8299 C CB . SER B 1 442 ? 39.008 30.970 -22.294 1.00 41.04 ? 524 SER B CB 1 ATOM 8300 O OG . SER B 1 442 ? 38.872 32.268 -21.742 1.00 38.26 ? 524 SER B OG 1 ATOM 8301 N N . ASN B 1 443 ? 36.943 31.412 -24.616 1.00 34.91 ? 525 ASN B N 1 ATOM 8302 C CA . ASN B 1 443 ? 36.193 32.371 -25.425 1.00 35.71 ? 525 ASN B CA 1 ATOM 8303 C C . ASN B 1 443 ? 34.839 31.866 -25.912 1.00 30.91 ? 525 ASN B C 1 ATOM 8304 O O . ASN B 1 443 ? 34.112 32.592 -26.590 1.00 38.61 ? 525 ASN B O 1 ATOM 8305 C CB . ASN B 1 443 ? 37.032 32.833 -26.618 1.00 34.69 ? 525 ASN B CB 1 ATOM 8306 C CG . ASN B 1 443 ? 38.298 33.547 -26.196 1.00 35.51 ? 525 ASN B CG 1 ATOM 8307 O OD1 . ASN B 1 443 ? 38.288 34.350 -25.262 1.00 29.97 ? 525 ASN B OD1 1 ATOM 8308 N ND2 . ASN B 1 443 ? 39.398 33.257 -26.879 1.00 42.62 ? 525 ASN B ND2 1 HETATM 8309 N N . MSE B 1 444 ? 34.494 30.631 -25.562 1.00 21.50 ? 526 MSE B N 1 HETATM 8310 C CA . MSE B 1 444 ? 33.183 30.091 -25.902 1.00 27.62 ? 526 MSE B CA 1 HETATM 8311 C C . MSE B 1 444 ? 32.176 30.354 -24.788 1.00 33.08 ? 526 MSE B C 1 HETATM 8312 O O . MSE B 1 444 ? 30.994 30.047 -24.925 1.00 32.22 ? 526 MSE B O 1 HETATM 8313 C CB . MSE B 1 444 ? 33.271 28.591 -26.198 1.00 24.41 ? 526 MSE B CB 1 HETATM 8314 C CG . MSE B 1 444 ? 33.965 28.246 -27.514 1.00 37.26 ? 526 MSE B CG 1 HETATM 8315 SE SE . MSE B 1 444 ? 33.036 28.921 -29.102 1.00 55.52 ? 526 MSE B SE 1 HETATM 8316 C CE . MSE B 1 444 ? 33.963 30.621 -29.331 1.00 10.83 ? 526 MSE B CE 1 ATOM 8317 N N . GLN B 1 445 ? 32.655 30.932 -23.691 1.00 33.15 ? 527 GLN B N 1 ATOM 8318 C CA . GLN B 1 445 ? 31.814 31.209 -22.532 1.00 31.42 ? 527 GLN B CA 1 ATOM 8319 C C . GLN B 1 445 ? 30.785 32.305 -22.800 1.00 24.66 ? 527 GLN B C 1 ATOM 8320 O O . GLN B 1 445 ? 31.054 33.260 -23.529 1.00 23.31 ? 527 GLN B O 1 ATOM 8321 C CB . GLN B 1 445 ? 32.682 31.575 -21.329 1.00 31.99 ? 527 GLN B CB 1 ATOM 8322 C CG . GLN B 1 445 ? 33.619 30.465 -20.897 1.00 31.95 ? 527 GLN B CG 1 ATOM 8323 C CD . GLN B 1 445 ? 32.880 29.181 -20.585 1.00 33.95 ? 527 GLN B CD 1 ATOM 8324 O OE1 . GLN B 1 445 ? 31.893 29.185 -19.849 1.00 34.42 ? 527 GLN B OE1 1 ATOM 8325 N NE2 . GLN B 1 445 ? 33.351 28.074 -21.145 1.00 32.40 ? 527 GLN B NE2 1 ATOM 8326 N N . ALA B 1 446 ? 29.606 32.153 -22.203 1.00 18.34 ? 528 ALA B N 1 ATOM 8327 C CA . ALA B 1 446 ? 28.488 33.061 -22.446 1.00 17.58 ? 528 ALA B CA 1 ATOM 8328 C C . ALA B 1 446 ? 28.219 34.012 -21.279 1.00 33.07 ? 528 ALA B C 1 ATOM 8329 O O . ALA B 1 446 ? 28.910 33.980 -20.260 1.00 40.69 ? 528 ALA B O 1 ATOM 8330 C CB . ALA B 1 446 ? 27.233 32.266 -22.783 1.00 23.58 ? 528 ALA B CB 1 ATOM 8331 N N . LEU B 1 447 ? 27.205 34.856 -21.447 1.00 35.56 ? 529 LEU B N 1 ATOM 8332 C CA . LEU B 1 447 ? 26.859 35.883 -20.469 1.00 21.77 ? 529 LEU B CA 1 ATOM 8333 C C . LEU B 1 447 ? 25.631 35.491 -19.652 1.00 18.17 ? 529 LEU B C 1 ATOM 8334 O O . LEU B 1 447 ? 24.713 34.852 -20.165 1.00 26.24 ? 529 LEU B O 1 ATOM 8335 C CB . LEU B 1 447 ? 26.590 37.207 -21.186 1.00 24.07 ? 529 LEU B CB 1 ATOM 8336 C CG . LEU B 1 447 ? 26.086 38.383 -20.346 1.00 24.61 ? 529 LEU B CG 1 ATOM 8337 C CD1 . LEU B 1 447 ? 27.185 38.918 -19.439 1.00 21.87 ? 529 LEU B CD1 1 ATOM 8338 C CD2 . LEU B 1 447 ? 25.531 39.481 -21.239 1.00 30.23 ? 529 LEU B CD2 1 ATOM 8339 N N . PHE B 1 448 ? 25.624 35.873 -18.379 1.00 17.32 ? 530 PHE B N 1 ATOM 8340 C CA . PHE B 1 448 ? 24.442 35.726 -17.537 1.00 16.20 ? 530 PHE B CA 1 ATOM 8341 C C . PHE B 1 448 ? 24.374 36.807 -16.465 1.00 21.86 ? 530 PHE B C 1 ATOM 8342 O O . PHE B 1 448 ? 25.279 36.937 -15.640 1.00 28.85 ? 530 PHE B O 1 ATOM 8343 C CB . PHE B 1 448 ? 24.386 34.347 -16.874 1.00 11.94 ? 530 PHE B CB 1 ATOM 8344 C CG . PHE B 1 448 ? 23.187 34.151 -15.983 1.00 16.81 ? 530 PHE B CG 1 ATOM 8345 C CD1 . PHE B 1 448 ? 23.250 34.462 -14.634 1.00 21.51 ? 530 PHE B CD1 1 ATOM 8346 C CD2 . PHE B 1 448 ? 21.997 33.662 -16.493 1.00 23.03 ? 530 PHE B CD2 1 ATOM 8347 C CE1 . PHE B 1 448 ? 22.154 34.291 -13.816 1.00 21.51 ? 530 PHE B CE1 1 ATOM 8348 C CE2 . PHE B 1 448 ? 20.897 33.486 -15.673 1.00 20.78 ? 530 PHE B CE2 1 ATOM 8349 C CZ . PHE B 1 448 ? 20.977 33.802 -14.335 1.00 19.92 ? 530 PHE B CZ 1 ATOM 8350 N N . ILE B 1 449 ? 23.293 37.579 -16.487 1.00 23.62 ? 531 ILE B N 1 ATOM 8351 C CA . ILE B 1 449 ? 23.014 38.548 -15.433 1.00 18.53 ? 531 ILE B CA 1 ATOM 8352 C C . ILE B 1 449 ? 21.548 38.479 -15.021 1.00 22.21 ? 531 ILE B C 1 ATOM 8353 O O . ILE B 1 449 ? 20.652 38.707 -15.834 1.00 22.90 ? 531 ILE B O 1 ATOM 8354 C CB . ILE B 1 449 ? 23.345 39.989 -15.866 1.00 20.16 ? 531 ILE B CB 1 ATOM 8355 C CG1 . ILE B 1 449 ? 24.844 40.140 -16.134 1.00 12.41 ? 531 ILE B CG1 1 ATOM 8356 C CG2 . ILE B 1 449 ? 22.905 40.976 -14.799 1.00 9.51 ? 531 ILE B CG2 1 ATOM 8357 C CD1 . ILE B 1 449 ? 25.270 41.551 -16.471 1.00 15.12 ? 531 ILE B CD1 1 ATOM 8358 N N . GLY B 1 450 ? 21.312 38.168 -13.751 1.00 29.79 ? 532 GLY B N 1 ATOM 8359 C CA . GLY B 1 450 ? 19.966 38.121 -13.214 1.00 9.68 ? 532 GLY B CA 1 ATOM 8360 C C . GLY B 1 450 ? 19.673 39.338 -12.361 1.00 32.64 ? 532 GLY B C 1 ATOM 8361 O O . GLY B 1 450 ? 20.319 39.560 -11.337 1.00 39.91 ? 532 GLY B O 1 ATOM 8362 N N . TYR B 1 451 ? 18.691 40.128 -12.781 1.00 22.90 ? 533 TYR B N 1 ATOM 8363 C CA . TYR B 1 451 ? 18.311 41.324 -12.042 1.00 26.29 ? 533 TYR B CA 1 ATOM 8364 C C . TYR B 1 451 ? 16.811 41.354 -11.768 1.00 33.81 ? 533 TYR B C 1 ATOM 8365 O O . TYR B 1 451 ? 16.010 40.891 -12.580 1.00 44.55 ? 533 TYR B O 1 ATOM 8366 C CB . TYR B 1 451 ? 18.736 42.584 -12.800 1.00 25.18 ? 533 TYR B CB 1 ATOM 8367 C CG . TYR B 1 451 ? 18.332 43.876 -12.128 1.00 19.26 ? 533 TYR B CG 1 ATOM 8368 C CD1 . TYR B 1 451 ? 19.115 44.431 -11.124 1.00 24.12 ? 533 TYR B CD1 1 ATOM 8369 C CD2 . TYR B 1 451 ? 17.173 44.545 -12.501 1.00 24.75 ? 533 TYR B CD2 1 ATOM 8370 C CE1 . TYR B 1 451 ? 18.753 45.613 -10.507 1.00 33.44 ? 533 TYR B CE1 1 ATOM 8371 C CE2 . TYR B 1 451 ? 16.802 45.727 -11.889 1.00 30.96 ? 533 TYR B CE2 1 ATOM 8372 C CZ . TYR B 1 451 ? 17.595 46.257 -10.893 1.00 38.39 ? 533 TYR B CZ 1 ATOM 8373 O OH . TYR B 1 451 ? 17.227 47.436 -10.283 1.00 35.99 ? 533 TYR B OH 1 ATOM 8374 N N . GLY B 1 452 ? 16.440 41.902 -10.616 1.00 37.19 ? 534 GLY B N 1 ATOM 8375 C CA . GLY B 1 452 ? 15.046 41.999 -10.227 1.00 45.93 ? 534 GLY B CA 1 ATOM 8376 C C . GLY B 1 452 ? 14.858 41.725 -8.749 1.00 50.22 ? 534 GLY B C 1 ATOM 8377 O O . GLY B 1 452 ? 15.835 41.525 -8.026 1.00 58.53 ? 534 GLY B O 1 ATOM 8378 N N . PRO B 1 453 ? 13.600 41.722 -8.286 1.00 45.13 ? 535 PRO B N 1 ATOM 8379 C CA . PRO B 1 453 ? 13.284 41.464 -6.877 1.00 38.74 ? 535 PRO B CA 1 ATOM 8380 C C . PRO B 1 453 ? 13.642 40.041 -6.458 1.00 20.54 ? 535 PRO B C 1 ATOM 8381 O O . PRO B 1 453 ? 13.928 39.799 -5.286 1.00 21.18 ? 535 PRO B O 1 ATOM 8382 C CB . PRO B 1 453 ? 11.765 41.665 -6.819 1.00 44.64 ? 535 PRO B CB 1 ATOM 8383 C CG . PRO B 1 453 ? 11.295 41.449 -8.219 1.00 40.34 ? 535 PRO B CG 1 ATOM 8384 C CD . PRO B 1 453 ? 12.391 41.984 -9.086 1.00 39.77 ? 535 PRO B CD 1 ATOM 8385 N N . ALA B 1 454 ? 13.623 39.113 -7.408 1.00 23.41 ? 536 ALA B N 1 ATOM 8386 C CA . ALA B 1 454 ? 13.880 37.708 -7.109 1.00 29.80 ? 536 ALA B CA 1 ATOM 8387 C C . ALA B 1 454 ? 15.371 37.391 -7.027 1.00 31.65 ? 536 ALA B C 1 ATOM 8388 O O . ALA B 1 454 ? 15.764 36.384 -6.441 1.00 34.63 ? 536 ALA B O 1 ATOM 8389 C CB . ALA B 1 454 ? 13.207 36.818 -8.142 1.00 23.46 ? 536 ALA B CB 1 ATOM 8390 N N . PHE B 1 455 ? 16.196 38.247 -7.621 1.00 23.21 ? 537 PHE B N 1 ATOM 8391 C CA . PHE B 1 455 ? 17.640 38.024 -7.640 1.00 24.42 ? 537 PHE B CA 1 ATOM 8392 C C . PHE B 1 455 ? 18.363 38.856 -6.591 1.00 24.56 ? 537 PHE B C 1 ATOM 8393 O O . PHE B 1 455 ? 17.957 39.975 -6.284 1.00 36.11 ? 537 PHE B O 1 ATOM 8394 C CB . PHE B 1 455 ? 18.218 38.320 -9.026 1.00 27.42 ? 537 PHE B CB 1 ATOM 8395 C CG . PHE B 1 455 ? 17.776 37.355 -10.089 1.00 18.53 ? 537 PHE B CG 1 ATOM 8396 C CD1 . PHE B 1 455 ? 18.317 36.081 -10.152 1.00 17.11 ? 537 PHE B CD1 1 ATOM 8397 C CD2 . PHE B 1 455 ? 16.830 37.723 -11.028 1.00 10.74 ? 537 PHE B CD2 1 ATOM 8398 C CE1 . PHE B 1 455 ? 17.916 35.190 -11.130 1.00 18.60 ? 537 PHE B CE1 1 ATOM 8399 C CE2 . PHE B 1 455 ? 16.426 36.836 -12.008 1.00 13.84 ? 537 PHE B CE2 1 ATOM 8400 C CZ . PHE B 1 455 ? 16.970 35.568 -12.058 1.00 13.26 ? 537 PHE B CZ 1 ATOM 8401 N N . LYS B 1 456 ? 19.438 38.297 -6.045 1.00 20.01 ? 538 LYS B N 1 ATOM 8402 C CA . LYS B 1 456 ? 20.252 39.004 -5.068 1.00 22.58 ? 538 LYS B CA 1 ATOM 8403 C C . LYS B 1 456 ? 20.942 40.189 -5.729 1.00 23.58 ? 538 LYS B C 1 ATOM 8404 O O . LYS B 1 456 ? 21.029 40.258 -6.953 1.00 30.73 ? 538 LYS B O 1 ATOM 8405 C CB . LYS B 1 456 ? 21.286 38.061 -4.453 1.00 23.91 ? 538 LYS B CB 1 ATOM 8406 C CG . LYS B 1 456 ? 20.674 36.880 -3.717 1.00 25.78 ? 538 LYS B CG 1 ATOM 8407 C CD . LYS B 1 456 ? 21.739 35.977 -3.120 1.00 18.39 ? 538 LYS B CD 1 ATOM 8408 C CE . LYS B 1 456 ? 21.110 34.835 -2.345 1.00 15.30 ? 538 LYS B CE 1 ATOM 8409 N NZ . LYS B 1 456 ? 22.125 33.928 -1.753 1.00 26.77 ? 538 LYS B NZ 1 ATOM 8410 N N . HIS B 1 457 ? 21.435 41.119 -4.920 1.00 26.28 ? 539 HIS B N 1 ATOM 8411 C CA . HIS B 1 457 ? 22.035 42.338 -5.451 1.00 24.88 ? 539 HIS B CA 1 ATOM 8412 C C . HIS B 1 457 ? 23.547 42.371 -5.259 1.00 17.73 ? 539 HIS B C 1 ATOM 8413 O O . HIS B 1 457 ? 24.039 42.445 -4.135 1.00 24.57 ? 539 HIS B O 1 ATOM 8414 C CB . HIS B 1 457 ? 21.387 43.572 -4.823 1.00 24.76 ? 539 HIS B CB 1 ATOM 8415 C CG . HIS B 1 457 ? 19.916 43.668 -5.078 1.00 27.84 ? 539 HIS B CG 1 ATOM 8416 N ND1 . HIS B 1 457 ? 19.394 44.230 -6.223 1.00 39.87 ? 539 HIS B ND1 1 ATOM 8417 C CD2 . HIS B 1 457 ? 18.855 43.263 -4.341 1.00 31.50 ? 539 HIS B CD2 1 ATOM 8418 C CE1 . HIS B 1 457 ? 18.075 44.172 -6.179 1.00 42.12 ? 539 HIS B CE1 1 ATOM 8419 N NE2 . HIS B 1 457 ? 17.723 43.590 -5.047 1.00 36.20 ? 539 HIS B NE2 1 ATOM 8420 N N . GLY B 1 458 ? 24.276 42.319 -6.369 1.00 27.55 ? 540 GLY B N 1 ATOM 8421 C CA . GLY B 1 458 ? 25.726 42.360 -6.336 1.00 30.44 ? 540 GLY B CA 1 ATOM 8422 C C . GLY B 1 458 ? 26.341 41.036 -5.935 1.00 26.51 ? 540 GLY B C 1 ATOM 8423 O O . GLY B 1 458 ? 27.430 40.993 -5.364 1.00 25.38 ? 540 GLY B O 1 ATOM 8424 N N . ALA B 1 459 ? 25.643 39.948 -6.235 1.00 14.05 ? 541 ALA B N 1 ATOM 8425 C CA . ALA B 1 459 ? 26.140 38.622 -5.901 1.00 17.15 ? 541 ALA B CA 1 ATOM 8426 C C . ALA B 1 459 ? 26.780 37.967 -7.119 1.00 27.21 ? 541 ALA B C 1 ATOM 8427 O O . ALA B 1 459 ? 26.145 37.826 -8.164 1.00 35.70 ? 541 ALA B O 1 ATOM 8428 C CB . ALA B 1 459 ? 25.019 37.757 -5.354 1.00 23.17 ? 541 ALA B CB 1 ATOM 8429 N N . GLU B 1 460 ? 28.040 37.569 -6.979 1.00 28.31 ? 542 GLU B N 1 ATOM 8430 C CA . GLU B 1 460 ? 28.740 36.881 -8.056 1.00 26.28 ? 542 GLU B CA 1 ATOM 8431 C C . GLU B 1 460 ? 28.928 35.413 -7.702 1.00 18.31 ? 542 GLU B C 1 ATOM 8432 O O . GLU B 1 460 ? 29.587 35.078 -6.719 1.00 27.89 ? 542 GLU B O 1 ATOM 8433 C CB . GLU B 1 460 ? 30.089 37.535 -8.357 1.00 32.10 ? 542 GLU B CB 1 ATOM 8434 C CG . GLU B 1 460 ? 30.901 36.782 -9.403 1.00 40.91 ? 542 GLU B CG 1 ATOM 8435 C CD . GLU B 1 460 ? 32.140 37.536 -9.844 1.00 47.34 ? 542 GLU B CD 1 ATOM 8436 O OE1 . GLU B 1 460 ? 33.177 36.884 -10.089 1.00 46.93 ? 542 GLU B OE1 1 ATOM 8437 O OE2 . GLU B 1 460 ? 32.074 38.778 -9.953 1.00 49.99 ? 542 GLU B OE2 1 ATOM 8438 N N . VAL B 1 461 ? 28.342 34.540 -8.511 1.00 14.24 ? 543 VAL B N 1 ATOM 8439 C CA . VAL B 1 461 ? 28.382 33.110 -8.248 1.00 16.75 ? 543 VAL B CA 1 ATOM 8440 C C . VAL B 1 461 ? 29.338 32.395 -9.198 1.00 20.28 ? 543 VAL B C 1 ATOM 8441 O O . VAL B 1 461 ? 29.840 32.987 -10.156 1.00 20.14 ? 543 VAL B O 1 ATOM 8442 C CB . VAL B 1 461 ? 26.981 32.487 -8.357 1.00 16.23 ? 543 VAL B CB 1 ATOM 8443 C CG1 . VAL B 1 461 ? 25.993 33.292 -7.532 1.00 16.70 ? 543 VAL B CG1 1 ATOM 8444 C CG2 . VAL B 1 461 ? 26.533 32.441 -9.811 1.00 10.73 ? 543 VAL B CG2 1 ATOM 8445 N N . ASP B 1 462 ? 29.588 31.119 -8.924 1.00 21.18 ? 544 ASP B N 1 ATOM 8446 C CA . ASP B 1 462 ? 30.489 30.321 -9.744 1.00 21.70 ? 544 ASP B CA 1 ATOM 8447 C C . ASP B 1 462 ? 29.813 29.925 -11.052 1.00 25.30 ? 544 ASP B C 1 ATOM 8448 O O . ASP B 1 462 ? 28.603 30.091 -11.212 1.00 31.65 ? 544 ASP B O 1 ATOM 8449 C CB . ASP B 1 462 ? 30.937 29.078 -8.978 1.00 36.38 ? 544 ASP B CB 1 ATOM 8450 C CG . ASP B 1 462 ? 32.352 28.662 -9.323 1.00 55.31 ? 544 ASP B CG 1 ATOM 8451 O OD1 . ASP B 1 462 ? 32.836 29.035 -10.412 1.00 59.37 ? 544 ASP B OD1 1 ATOM 8452 O OD2 . ASP B 1 462 ? 32.982 27.962 -8.503 1.00 63.04 ? 544 ASP B OD2 1 ATOM 8453 N N . SER B 1 463 ? 30.605 29.409 -11.987 1.00 19.30 ? 545 SER B N 1 ATOM 8454 C CA . SER B 1 463 ? 30.111 29.082 -13.319 1.00 17.30 ? 545 SER B CA 1 ATOM 8455 C C . SER B 1 463 ? 29.063 27.973 -13.284 1.00 25.24 ? 545 SER B C 1 ATOM 8456 O O . SER B 1 463 ? 29.114 27.087 -12.432 1.00 31.34 ? 545 SER B O 1 ATOM 8457 C CB . SER B 1 463 ? 31.266 28.685 -14.241 1.00 32.82 ? 545 SER B CB 1 ATOM 8458 O OG . SER B 1 463 ? 31.894 27.497 -13.790 1.00 47.72 ? 545 SER B OG 1 ATOM 8459 N N . PHE B 1 464 ? 28.118 28.028 -14.217 1.00 23.15 ? 546 PHE B N 1 ATOM 8460 C CA . PHE B 1 464 ? 27.102 26.986 -14.349 1.00 19.70 ? 546 PHE B CA 1 ATOM 8461 C C . PHE B 1 464 ? 26.630 26.819 -15.791 1.00 25.76 ? 546 PHE B C 1 ATOM 8462 O O . PHE B 1 464 ? 26.780 27.724 -16.611 1.00 28.22 ? 546 PHE B O 1 ATOM 8463 C CB . PHE B 1 464 ? 25.917 27.259 -13.417 1.00 25.19 ? 546 PHE B CB 1 ATOM 8464 C CG . PHE B 1 464 ? 25.247 28.585 -13.649 1.00 28.36 ? 546 PHE B CG 1 ATOM 8465 C CD1 . PHE B 1 464 ? 24.184 28.697 -14.532 1.00 25.00 ? 546 PHE B CD1 1 ATOM 8466 C CD2 . PHE B 1 464 ? 25.675 29.719 -12.978 1.00 5.13 ? 546 PHE B CD2 1 ATOM 8467 C CE1 . PHE B 1 464 ? 23.563 29.915 -14.743 1.00 19.75 ? 546 PHE B CE1 1 ATOM 8468 C CE2 . PHE B 1 464 ? 25.058 30.941 -13.187 1.00 56.50 ? 546 PHE B CE2 1 ATOM 8469 C CZ . PHE B 1 464 ? 24.000 31.038 -14.071 1.00 6.28 ? 546 PHE B CZ 1 ATOM 8470 N N . GLU B 1 465 ? 26.061 25.655 -16.091 1.00 34.09 ? 547 GLU B N 1 ATOM 8471 C CA . GLU B 1 465 ? 25.595 25.352 -17.441 1.00 37.25 ? 547 GLU B CA 1 ATOM 8472 C C . GLU B 1 465 ? 24.270 26.046 -17.737 1.00 39.67 ? 547 GLU B C 1 ATOM 8473 O O . GLU B 1 465 ? 23.529 26.400 -16.821 1.00 49.99 ? 547 GLU B O 1 ATOM 8474 C CB . GLU B 1 465 ? 25.454 23.841 -17.634 1.00 38.77 ? 547 GLU B CB 1 ATOM 8475 C CG . GLU B 1 465 ? 26.767 23.079 -17.641 1.00 41.93 ? 547 GLU B CG 1 ATOM 8476 C CD . GLU B 1 465 ? 26.561 21.576 -17.616 1.00 46.69 ? 547 GLU B CD 1 ATOM 8477 O OE1 . GLU B 1 465 ? 25.534 21.125 -17.068 1.00 54.88 ? 547 GLU B OE1 1 ATOM 8478 O OE2 . GLU B 1 465 ? 27.426 20.847 -18.145 1.00 41.10 ? 547 GLU B OE2 1 ATOM 8479 N N . ASN B 1 466 ? 23.975 26.242 -19.018 1.00 31.52 ? 548 ASN B N 1 ATOM 8480 C CA . ASN B 1 466 ? 22.763 26.952 -19.412 1.00 28.36 ? 548 ASN B CA 1 ATOM 8481 C C . ASN B 1 466 ? 21.495 26.112 -19.284 1.00 31.45 ? 548 ASN B C 1 ATOM 8482 O O . ASN B 1 466 ? 20.384 26.641 -19.314 1.00 30.61 ? 548 ASN B O 1 ATOM 8483 C CB . ASN B 1 466 ? 22.898 27.512 -20.831 1.00 17.49 ? 548 ASN B CB 1 ATOM 8484 C CG . ASN B 1 466 ? 23.192 26.438 -21.858 1.00 25.73 ? 548 ASN B CG 1 ATOM 8485 O OD1 . ASN B 1 466 ? 23.380 25.269 -21.519 1.00 32.30 ? 548 ASN B OD1 1 ATOM 8486 N ND2 . ASN B 1 466 ? 23.235 26.831 -23.126 1.00 10.70 ? 548 ASN B ND2 1 ATOM 8487 N N . ILE B 1 467 ? 21.665 24.801 -19.142 1.00 24.28 ? 549 ILE B N 1 ATOM 8488 C CA . ILE B 1 467 ? 20.526 23.903 -18.981 1.00 33.73 ? 549 ILE B CA 1 ATOM 8489 C C . ILE B 1 467 ? 19.928 23.985 -17.577 1.00 39.47 ? 549 ILE B C 1 ATOM 8490 O O . ILE B 1 467 ? 18.847 23.453 -17.320 1.00 46.68 ? 549 ILE B O 1 ATOM 8491 C CB . ILE B 1 467 ? 20.913 22.443 -19.270 1.00 21.63 ? 549 ILE B CB 1 ATOM 8492 C CG1 . ILE B 1 467 ? 21.951 21.955 -18.257 1.00 18.53 ? 549 ILE B CG1 1 ATOM 8493 C CG2 . ILE B 1 467 ? 21.439 22.305 -20.692 1.00 15.83 ? 549 ILE B CG2 1 ATOM 8494 C CD1 . ILE B 1 467 ? 22.255 20.480 -18.359 1.00 16.49 ? 549 ILE B CD1 1 ATOM 8495 N N . GLU B 1 468 ? 20.635 24.656 -16.673 1.00 30.26 ? 550 GLU B N 1 ATOM 8496 C CA . GLU B 1 468 ? 20.171 24.807 -15.300 1.00 31.80 ? 550 GLU B CA 1 ATOM 8497 C C . GLU B 1 468 ? 19.171 25.955 -15.189 1.00 36.79 ? 550 GLU B C 1 ATOM 8498 O O . GLU B 1 468 ? 18.386 26.019 -14.243 1.00 44.66 ? 550 GLU B O 1 ATOM 8499 C CB . GLU B 1 468 ? 21.355 25.050 -14.361 1.00 29.33 ? 550 GLU B CB 1 ATOM 8500 C CG . GLU B 1 468 ? 22.478 24.025 -14.488 1.00 27.38 ? 550 GLU B CG 1 ATOM 8501 C CD . GLU B 1 468 ? 22.101 22.651 -13.959 1.00 36.60 ? 550 GLU B CD 1 ATOM 8502 O OE1 . GLU B 1 468 ? 21.092 22.544 -13.230 1.00 43.06 ? 550 GLU B OE1 1 ATOM 8503 O OE2 . GLU B 1 468 ? 22.818 21.676 -14.272 1.00 38.79 ? 550 GLU B OE2 1 ATOM 8504 N N . VAL B 1 469 ? 19.210 26.858 -16.165 1.00 32.90 ? 551 VAL B N 1 ATOM 8505 C CA . VAL B 1 469 ? 18.362 28.050 -16.174 1.00 41.30 ? 551 VAL B CA 1 ATOM 8506 C C . VAL B 1 469 ? 16.876 27.735 -16.369 1.00 39.94 ? 551 VAL B C 1 ATOM 8507 O O . VAL B 1 469 ? 16.010 28.437 -15.843 1.00 37.94 ? 551 VAL B O 1 ATOM 8508 C CB . VAL B 1 469 ? 18.864 29.087 -17.212 1.00 20.60 ? 551 VAL B CB 1 ATOM 8509 C CG1 . VAL B 1 469 ? 17.711 29.817 -17.891 1.00 11.56 ? 551 VAL B CG1 1 ATOM 8510 C CG2 . VAL B 1 469 ? 19.819 30.063 -16.548 1.00 30.34 ? 551 VAL B CG2 1 ATOM 8511 N N . TYR B 1 470 ? 16.590 26.666 -17.108 1.00 40.03 ? 552 TYR B N 1 ATOM 8512 C CA . TYR B 1 470 ? 15.213 26.244 -17.351 1.00 41.56 ? 552 TYR B CA 1 ATOM 8513 C C . TYR B 1 470 ? 14.425 26.079 -16.059 1.00 38.71 ? 552 TYR B C 1 ATOM 8514 O O . TYR B 1 470 ? 13.321 26.607 -15.926 1.00 30.82 ? 552 TYR B O 1 ATOM 8515 C CB . TYR B 1 470 ? 15.177 24.945 -18.153 1.00 47.12 ? 552 TYR B CB 1 ATOM 8516 C CG . TYR B 1 470 ? 13.782 24.388 -18.323 1.00 45.78 ? 552 TYR B CG 1 ATOM 8517 C CD1 . TYR B 1 470 ? 12.890 24.958 -19.223 1.00 46.56 ? 552 TYR B CD1 1 ATOM 8518 C CD2 . TYR B 1 470 ? 13.354 23.296 -17.579 1.00 44.24 ? 552 TYR B CD2 1 ATOM 8519 C CE1 . TYR B 1 470 ? 11.612 24.456 -19.378 1.00 43.09 ? 552 TYR B CE1 1 ATOM 8520 C CE2 . TYR B 1 470 ? 12.079 22.786 -17.727 1.00 43.50 ? 552 TYR B CE2 1 ATOM 8521 C CZ . TYR B 1 470 ? 11.212 23.369 -18.627 1.00 38.72 ? 552 TYR B CZ 1 ATOM 8522 O OH . TYR B 1 470 ? 9.943 22.861 -18.776 1.00 33.55 ? 552 TYR B OH 1 ATOM 8523 N N . ASN B 1 471 ? 14.994 25.343 -15.112 1.00 33.33 ? 553 ASN B N 1 ATOM 8524 C CA . ASN B 1 471 ? 14.354 25.152 -13.818 1.00 22.92 ? 553 ASN B CA 1 ATOM 8525 C C . ASN B 1 471 ? 14.228 26.467 -13.056 1.00 23.00 ? 553 ASN B C 1 ATOM 8526 O O . ASN B 1 471 ? 13.263 26.675 -12.323 1.00 22.88 ? 553 ASN B O 1 ATOM 8527 C CB . ASN B 1 471 ? 15.123 24.130 -12.977 1.00 24.10 ? 553 ASN B CB 1 ATOM 8528 C CG . ASN B 1 471 ? 15.110 22.746 -13.591 1.00 28.89 ? 553 ASN B CG 1 ATOM 8529 O OD1 . ASN B 1 471 ? 14.191 22.393 -14.330 1.00 39.10 ? 553 ASN B OD1 1 ATOM 8530 N ND2 . ASN B 1 471 ? 16.132 21.952 -13.289 1.00 22.99 ? 553 ASN B ND2 1 ATOM 8531 N N . LEU B 1 472 ? 15.213 27.345 -13.226 1.00 25.38 ? 554 LEU B N 1 ATOM 8532 C CA . LEU B 1 472 ? 15.198 28.651 -12.575 1.00 26.27 ? 554 LEU B CA 1 ATOM 8533 C C . LEU B 1 472 ? 13.996 29.469 -13.039 1.00 27.67 ? 554 LEU B C 1 ATOM 8534 O O . LEU B 1 472 ? 13.302 30.083 -12.229 1.00 30.78 ? 554 LEU B O 1 ATOM 8535 C CB . LEU B 1 472 ? 16.490 29.416 -12.865 1.00 10.01 ? 554 LEU B CB 1 ATOM 8536 C CG . LEU B 1 472 ? 16.521 30.860 -12.361 1.00 29.92 ? 554 LEU B CG 1 ATOM 8537 C CD1 . LEU B 1 472 ? 16.440 30.893 -10.845 1.00 32.15 ? 554 LEU B CD1 1 ATOM 8538 C CD2 . LEU B 1 472 ? 17.765 31.584 -12.851 1.00 33.15 ? 554 LEU B CD2 1 HETATM 8539 N N . MSE B 1 473 ? 13.754 29.468 -14.346 1.00 37.04 ? 555 MSE B N 1 HETATM 8540 C CA . MSE B 1 473 ? 12.648 30.226 -14.924 1.00 46.09 ? 555 MSE B CA 1 HETATM 8541 C C . MSE B 1 473 ? 11.291 29.633 -14.552 1.00 48.74 ? 555 MSE B C 1 HETATM 8542 O O . MSE B 1 473 ? 10.290 30.347 -14.491 1.00 50.91 ? 555 MSE B O 1 HETATM 8543 C CB . MSE B 1 473 ? 12.796 30.332 -16.445 1.00 42.43 ? 555 MSE B CB 1 HETATM 8544 C CG . MSE B 1 473 ? 13.971 31.194 -16.888 1.00 40.03 ? 555 MSE B CG 1 HETATM 8545 SE SE . MSE B 1 473 ? 14.031 31.496 -18.817 1.00 69.17 ? 555 MSE B SE 1 HETATM 8546 C CE . MSE B 1 473 ? 14.327 29.661 -19.406 1.00 84.13 ? 555 MSE B CE 1 ATOM 8547 N N . CYS B 1 474 ? 11.264 28.328 -14.304 1.00 39.54 ? 556 CYS B N 1 ATOM 8548 C CA . CYS B 1 474 ? 10.055 27.670 -13.824 1.00 36.80 ? 556 CYS B CA 1 ATOM 8549 C C . CYS B 1 474 ? 9.726 28.141 -12.413 1.00 41.87 ? 556 CYS B C 1 ATOM 8550 O O . CYS B 1 474 ? 8.560 28.321 -12.061 1.00 46.75 ? 556 CYS B O 1 ATOM 8551 C CB . CYS B 1 474 ? 10.216 26.150 -13.852 1.00 32.16 ? 556 CYS B CB 1 ATOM 8552 S SG . CYS B 1 474 ? 10.318 25.445 -15.513 1.00 42.56 ? 556 CYS B SG 1 ATOM 8553 N N . ASP B 1 475 ? 10.765 28.335 -11.608 1.00 40.70 ? 557 ASP B N 1 ATOM 8554 C CA . ASP B 1 475 ? 10.601 28.812 -10.240 1.00 37.42 ? 557 ASP B CA 1 ATOM 8555 C C . ASP B 1 475 ? 10.184 30.280 -10.211 1.00 42.68 ? 557 ASP B C 1 ATOM 8556 O O . ASP B 1 475 ? 9.511 30.725 -9.281 1.00 54.88 ? 557 ASP B O 1 ATOM 8557 C CB . ASP B 1 475 ? 11.891 28.611 -9.438 1.00 36.96 ? 557 ASP B CB 1 ATOM 8558 C CG . ASP B 1 475 ? 12.243 27.145 -9.252 1.00 43.15 ? 557 ASP B CG 1 ATOM 8559 O OD1 . ASP B 1 475 ? 11.326 26.298 -9.323 1.00 42.26 ? 557 ASP B OD1 1 ATOM 8560 O OD2 . ASP B 1 475 ? 13.436 26.841 -9.035 1.00 37.27 ? 557 ASP B OD2 1 ATOM 8561 N N . LEU B 1 476 ? 10.592 31.030 -11.232 1.00 38.79 ? 558 LEU B N 1 ATOM 8562 C CA . LEU B 1 476 ? 10.257 32.448 -11.323 1.00 39.55 ? 558 LEU B CA 1 ATOM 8563 C C . LEU B 1 476 ? 8.838 32.659 -11.843 1.00 49.97 ? 558 LEU B C 1 ATOM 8564 O O . LEU B 1 476 ? 8.233 33.706 -11.613 1.00 56.03 ? 558 LEU B O 1 ATOM 8565 C CB . LEU B 1 476 ? 11.253 33.185 -12.221 1.00 38.25 ? 558 LEU B CB 1 ATOM 8566 C CG . LEU B 1 476 ? 12.712 33.247 -11.763 1.00 30.87 ? 558 LEU B CG 1 ATOM 8567 C CD1 . LEU B 1 476 ? 13.539 34.068 -12.740 1.00 28.39 ? 558 LEU B CD1 1 ATOM 8568 C CD2 . LEU B 1 476 ? 12.811 33.820 -10.359 1.00 22.42 ? 558 LEU B CD2 1 ATOM 8569 N N . LEU B 1 477 ? 8.309 31.659 -12.540 1.00 44.99 ? 559 LEU B N 1 ATOM 8570 C CA . LEU B 1 477 ? 6.969 31.748 -13.109 1.00 36.67 ? 559 LEU B CA 1 ATOM 8571 C C . LEU B 1 477 ? 5.990 30.861 -12.352 1.00 34.59 ? 559 LEU B C 1 ATOM 8572 O O . LEU B 1 477 ? 4.808 30.801 -12.691 1.00 40.94 ? 559 LEU B O 1 ATOM 8573 C CB . LEU B 1 477 ? 6.988 31.363 -14.589 1.00 33.64 ? 559 LEU B CB 1 ATOM 8574 C CG . LEU B 1 477 ? 7.838 32.221 -15.525 1.00 29.06 ? 559 LEU B CG 1 ATOM 8575 C CD1 . LEU B 1 477 ? 7.849 31.628 -16.925 1.00 24.22 ? 559 LEU B CD1 1 ATOM 8576 C CD2 . LEU B 1 477 ? 7.327 33.652 -15.548 1.00 37.17 ? 559 LEU B CD2 1 ATOM 8577 N N . GLY B 1 478 ? 6.485 30.176 -11.327 1.00 29.36 ? 560 GLY B N 1 ATOM 8578 C CA . GLY B 1 478 ? 5.650 29.285 -10.544 1.00 30.34 ? 560 GLY B CA 1 ATOM 8579 C C . GLY B 1 478 ? 5.157 28.108 -11.361 1.00 25.19 ? 560 GLY B C 1 ATOM 8580 O O . GLY B 1 478 ? 3.973 27.776 -11.340 1.00 29.63 ? 560 GLY B O 1 ATOM 8581 N N . LEU B 1 479 ? 6.075 27.473 -12.082 1.00 22.46 ? 561 LEU B N 1 ATOM 8582 C CA . LEU B 1 479 ? 5.725 26.371 -12.968 1.00 32.00 ? 561 LEU B CA 1 ATOM 8583 C C . LEU B 1 479 ? 6.376 25.073 -12.513 1.00 40.01 ? 561 LEU B C 1 ATOM 8584 O O . LEU B 1 479 ? 7.492 25.075 -11.994 1.00 44.75 ? 561 LEU B O 1 ATOM 8585 C CB . LEU B 1 479 ? 6.156 26.680 -14.404 1.00 19.23 ? 561 LEU B CB 1 ATOM 8586 C CG . LEU B 1 479 ? 5.653 27.971 -15.049 1.00 23.57 ? 561 LEU B CG 1 ATOM 8587 C CD1 . LEU B 1 479 ? 6.281 28.152 -16.423 1.00 23.13 ? 561 LEU B CD1 1 ATOM 8588 C CD2 . LEU B 1 479 ? 4.138 27.968 -15.145 1.00 32.06 ? 561 LEU B CD2 1 ATOM 8589 N N . ILE B 1 480 ? 5.669 23.965 -12.708 1.00 41.63 ? 562 ILE B N 1 ATOM 8590 C CA . ILE B 1 480 ? 6.252 22.651 -12.494 1.00 44.43 ? 562 ILE B CA 1 ATOM 8591 C C . ILE B 1 480 ? 7.093 22.311 -13.717 1.00 45.72 ? 562 ILE B C 1 ATOM 8592 O O . ILE B 1 480 ? 6.559 22.152 -14.815 1.00 55.25 ? 562 ILE B O 1 ATOM 8593 C CB . ILE B 1 480 ? 5.180 21.563 -12.296 1.00 46.54 ? 562 ILE B CB 1 ATOM 8594 C CG1 . ILE B 1 480 ? 4.262 21.918 -11.122 1.00 44.45 ? 562 ILE B CG1 1 ATOM 8595 C CG2 . ILE B 1 480 ? 5.825 20.193 -12.123 1.00 45.17 ? 562 ILE B CG2 1 ATOM 8596 C CD1 . ILE B 1 480 ? 4.998 22.203 -9.825 1.00 44.62 ? 562 ILE B CD1 1 ATOM 8597 N N . PRO B 1 481 ? 8.417 22.199 -13.533 1.00 39.37 ? 563 PRO B N 1 ATOM 8598 C CA . PRO B 1 481 ? 9.326 21.999 -14.668 1.00 31.27 ? 563 PRO B CA 1 ATOM 8599 C C . PRO B 1 481 ? 9.142 20.649 -15.351 1.00 25.17 ? 563 PRO B C 1 ATOM 8600 O O . PRO B 1 481 ? 8.887 19.642 -14.690 1.00 26.17 ? 563 PRO B O 1 ATOM 8601 C CB . PRO B 1 481 ? 10.710 22.072 -14.016 1.00 14.84 ? 563 PRO B CB 1 ATOM 8602 C CG . PRO B 1 481 ? 10.483 21.654 -12.606 1.00 28.21 ? 563 PRO B CG 1 ATOM 8603 C CD . PRO B 1 481 ? 9.129 22.190 -12.243 1.00 34.97 ? 563 PRO B CD 1 ATOM 8604 N N . ALA B 1 482 ? 9.276 20.644 -16.673 1.00 18.93 ? 564 ALA B N 1 ATOM 8605 C CA . ALA B 1 482 ? 9.278 19.410 -17.446 1.00 25.08 ? 564 ALA B CA 1 ATOM 8606 C C . ALA B 1 482 ? 10.573 18.659 -17.162 1.00 30.20 ? 564 ALA B C 1 ATOM 8607 O O . ALA B 1 482 ? 11.560 19.269 -16.745 1.00 15.83 ? 564 ALA B O 1 ATOM 8608 C CB . ALA B 1 482 ? 9.156 19.728 -18.932 1.00 19.26 ? 564 ALA B CB 1 ATOM 8609 N N . PRO B 1 483 ? 10.579 17.332 -17.381 1.00 17.42 ? 565 PRO B N 1 ATOM 8610 C CA . PRO B 1 483 ? 11.793 16.535 -17.171 1.00 30.27 ? 565 PRO B CA 1 ATOM 8611 C C . PRO B 1 483 ? 12.968 17.049 -17.998 1.00 25.40 ? 565 PRO B C 1 ATOM 8612 O O . PRO B 1 483 ? 12.972 16.889 -19.218 1.00 33.52 ? 565 PRO B O 1 ATOM 8613 C CB . PRO B 1 483 ? 11.380 15.145 -17.659 1.00 17.37 ? 565 PRO B CB 1 ATOM 8614 C CG . PRO B 1 483 ? 9.916 15.099 -17.450 1.00 33.05 ? 565 PRO B CG 1 ATOM 8615 C CD . PRO B 1 483 ? 9.420 16.489 -17.722 1.00 18.88 ? 565 PRO B CD 1 ATOM 8616 N N . ASN B 1 484 ? 13.947 17.664 -17.341 1.00 21.35 ? 566 ASN B N 1 ATOM 8617 C CA . ASN B 1 484 ? 15.121 18.175 -18.041 1.00 25.80 ? 566 ASN B CA 1 ATOM 8618 C C . ASN B 1 484 ? 16.434 17.590 -17.531 1.00 24.07 ? 566 ASN B C 1 ATOM 8619 O O . ASN B 1 484 ? 16.437 16.666 -16.719 1.00 12.23 ? 566 ASN B O 1 ATOM 8620 C CB . ASN B 1 484 ? 15.170 19.704 -17.981 1.00 24.69 ? 566 ASN B CB 1 ATOM 8621 C CG . ASN B 1 484 ? 15.256 20.228 -16.561 1.00 37.10 ? 566 ASN B CG 1 ATOM 8622 O OD1 . ASN B 1 484 ? 14.635 19.681 -15.649 1.00 53.42 ? 566 ASN B OD1 1 ATOM 8623 N ND2 . ASN B 1 484 ? 16.026 21.294 -16.366 1.00 30.75 ? 566 ASN B ND2 1 ATOM 8624 N N . ASN B 1 485 ? 17.546 18.135 -18.016 1.00 23.47 ? 567 ASN B N 1 ATOM 8625 C CA . ASN B 1 485 ? 18.871 17.634 -17.668 1.00 30.61 ? 567 ASN B CA 1 ATOM 8626 C C . ASN B 1 485 ? 19.547 18.452 -16.573 1.00 38.17 ? 567 ASN B C 1 ATOM 8627 O O . ASN B 1 485 ? 20.652 18.133 -16.141 1.00 47.56 ? 567 ASN B O 1 ATOM 8628 C CB . ASN B 1 485 ? 19.766 17.572 -18.909 1.00 27.72 ? 567 ASN B CB 1 ATOM 8629 C CG . ASN B 1 485 ? 19.315 16.518 -19.901 1.00 30.79 ? 567 ASN B CG 1 ATOM 8630 O OD1 . ASN B 1 485 ? 19.087 16.807 -21.077 1.00 28.89 ? 567 ASN B OD1 1 ATOM 8631 N ND2 . ASN B 1 485 ? 19.207 15.278 -19.433 1.00 40.89 ? 567 ASN B ND2 1 ATOM 8632 N N . GLY B 1 486 ? 18.882 19.514 -16.132 1.00 30.08 ? 568 GLY B N 1 ATOM 8633 C CA . GLY B 1 486 ? 19.428 20.361 -15.091 1.00 34.91 ? 568 GLY B CA 1 ATOM 8634 C C . GLY B 1 486 ? 19.108 19.858 -13.696 1.00 36.72 ? 568 GLY B C 1 ATOM 8635 O O . GLY B 1 486 ? 18.003 19.379 -13.431 1.00 29.40 ? 568 GLY B O 1 ATOM 8636 N N . SER B 1 487 ? 20.085 19.966 -12.800 1.00 31.56 ? 569 SER B N 1 ATOM 8637 C CA . SER B 1 487 ? 19.897 19.586 -11.406 1.00 27.40 ? 569 SER B CA 1 ATOM 8638 C C . SER B 1 487 ? 19.034 20.627 -10.706 1.00 25.22 ? 569 SER B C 1 ATOM 8639 O O . SER B 1 487 ? 19.506 21.717 -10.383 1.00 31.60 ? 569 SER B O 1 ATOM 8640 C CB . SER B 1 487 ? 21.248 19.459 -10.702 1.00 30.16 ? 569 SER B CB 1 ATOM 8641 O OG . SER B 1 487 ? 22.097 18.554 -11.384 1.00 33.24 ? 569 SER B OG 1 ATOM 8642 N N . HIS B 1 488 ? 17.768 20.288 -10.483 1.00 24.63 ? 570 HIS B N 1 ATOM 8643 C CA . HIS B 1 488 ? 16.804 21.239 -9.939 1.00 29.96 ? 570 HIS B CA 1 ATOM 8644 C C . HIS B 1 488 ? 17.174 21.694 -8.530 1.00 32.63 ? 570 HIS B C 1 ATOM 8645 O O . HIS B 1 488 ? 17.260 20.885 -7.607 1.00 29.24 ? 570 HIS B O 1 ATOM 8646 C CB . HIS B 1 488 ? 15.396 20.639 -9.945 1.00 27.61 ? 570 HIS B CB 1 ATOM 8647 C CG . HIS B 1 488 ? 14.312 21.639 -9.694 1.00 32.25 ? 570 HIS B CG 1 ATOM 8648 N ND1 . HIS B 1 488 ? 12.999 21.277 -9.482 1.00 35.19 ? 570 HIS B ND1 1 ATOM 8649 C CD2 . HIS B 1 488 ? 14.346 22.991 -9.618 1.00 38.31 ? 570 HIS B CD2 1 ATOM 8650 C CE1 . HIS B 1 488 ? 12.271 22.362 -9.288 1.00 35.54 ? 570 HIS B CE1 1 ATOM 8651 N NE2 . HIS B 1 488 ? 13.064 23.415 -9.364 1.00 10.69 ? 570 HIS B NE2 1 ATOM 8652 N N . GLY B 1 489 ? 17.393 22.996 -8.378 1.00 33.46 ? 571 GLY B N 1 ATOM 8653 C CA . GLY B 1 489 ? 17.717 23.569 -7.085 1.00 32.75 ? 571 GLY B CA 1 ATOM 8654 C C . GLY B 1 489 ? 19.168 24.000 -6.974 1.00 25.95 ? 571 GLY B C 1 ATOM 8655 O O . GLY B 1 489 ? 19.575 24.593 -5.975 1.00 19.00 ? 571 GLY B O 1 ATOM 8656 N N . SER B 1 490 ? 19.954 23.700 -8.003 1.00 21.55 ? 572 SER B N 1 ATOM 8657 C CA . SER B 1 490 ? 21.379 24.007 -7.985 1.00 20.23 ? 572 SER B CA 1 ATOM 8658 C C . SER B 1 490 ? 21.664 25.499 -8.144 1.00 28.53 ? 572 SER B C 1 ATOM 8659 O O . SER B 1 490 ? 22.767 25.956 -7.846 1.00 32.08 ? 572 SER B O 1 ATOM 8660 C CB . SER B 1 490 ? 22.108 23.221 -9.077 1.00 22.00 ? 572 SER B CB 1 ATOM 8661 O OG . SER B 1 490 ? 21.663 23.605 -10.365 1.00 29.53 ? 572 SER B OG 1 ATOM 8662 N N . LEU B 1 491 ? 20.673 26.256 -8.608 1.00 30.75 ? 573 LEU B N 1 ATOM 8663 C CA . LEU B 1 491 ? 20.840 27.696 -8.779 1.00 27.49 ? 573 LEU B CA 1 ATOM 8664 C C . LEU B 1 491 ? 20.117 28.492 -7.695 1.00 31.87 ? 573 LEU B C 1 ATOM 8665 O O . LEU B 1 491 ? 19.848 29.683 -7.861 1.00 33.14 ? 573 LEU B O 1 ATOM 8666 C CB . LEU B 1 491 ? 20.358 28.145 -10.162 1.00 33.89 ? 573 LEU B CB 1 ATOM 8667 C CG . LEU B 1 491 ? 21.152 27.659 -11.378 1.00 36.31 ? 573 LEU B CG 1 ATOM 8668 C CD1 . LEU B 1 491 ? 20.655 28.341 -12.644 1.00 28.56 ? 573 LEU B CD1 1 ATOM 8669 C CD2 . LEU B 1 491 ? 22.642 27.898 -11.189 1.00 40.96 ? 573 LEU B CD2 1 ATOM 8670 N N . ASN B 1 492 ? 19.804 27.825 -6.587 1.00 32.50 ? 574 ASN B N 1 ATOM 8671 C CA . ASN B 1 492 ? 19.112 28.461 -5.469 1.00 20.35 ? 574 ASN B CA 1 ATOM 8672 C C . ASN B 1 492 ? 19.894 29.621 -4.860 1.00 21.16 ? 574 ASN B C 1 ATOM 8673 O O . ASN B 1 492 ? 19.314 30.522 -4.254 1.00 37.38 ? 574 ASN B O 1 ATOM 8674 C CB . ASN B 1 492 ? 18.785 27.442 -4.377 1.00 10.50 ? 574 ASN B CB 1 ATOM 8675 C CG . ASN B 1 492 ? 17.531 26.646 -4.682 1.00 23.11 ? 574 ASN B CG 1 ATOM 8676 O OD1 . ASN B 1 492 ? 16.826 26.927 -5.650 1.00 27.35 ? 574 ASN B OD1 1 ATOM 8677 N ND2 . ASN B 1 492 ? 17.248 25.647 -3.855 1.00 42.04 ? 574 ASN B ND2 1 ATOM 8678 N N . HIS B 1 493 ? 21.211 29.595 -5.027 1.00 4.36 ? 575 HIS B N 1 ATOM 8679 C CA . HIS B 1 493 ? 22.082 30.612 -4.449 1.00 13.01 ? 575 HIS B CA 1 ATOM 8680 C C . HIS B 1 493 ? 21.950 31.954 -5.168 1.00 16.42 ? 575 HIS B C 1 ATOM 8681 O O . HIS B 1 493 ? 22.481 32.968 -4.714 1.00 21.81 ? 575 HIS B O 1 ATOM 8682 C CB . HIS B 1 493 ? 23.538 30.128 -4.432 1.00 17.29 ? 575 HIS B CB 1 ATOM 8683 C CG . HIS B 1 493 ? 24.071 29.753 -5.781 1.00 27.00 ? 575 HIS B CG 1 ATOM 8684 N ND1 . HIS B 1 493 ? 23.517 28.753 -6.551 1.00 43.30 ? 575 HIS B ND1 1 ATOM 8685 C CD2 . HIS B 1 493 ? 25.124 30.228 -6.487 1.00 21.86 ? 575 HIS B CD2 1 ATOM 8686 C CE1 . HIS B 1 493 ? 24.194 28.641 -7.680 1.00 37.78 ? 575 HIS B CE1 1 ATOM 8687 N NE2 . HIS B 1 493 ? 25.176 29.524 -7.665 1.00 22.62 ? 575 HIS B NE2 1 ATOM 8688 N N . LEU B 1 494 ? 21.247 31.949 -6.296 1.00 15.05 ? 576 LEU B N 1 ATOM 8689 C CA . LEU B 1 494 ? 21.022 33.168 -7.064 1.00 20.83 ? 576 LEU B CA 1 ATOM 8690 C C . LEU B 1 494 ? 19.820 33.935 -6.517 1.00 24.05 ? 576 LEU B C 1 ATOM 8691 O O . LEU B 1 494 ? 19.753 35.162 -6.620 1.00 16.58 ? 576 LEU B O 1 ATOM 8692 C CB . LEU B 1 494 ? 20.785 32.836 -8.542 1.00 28.94 ? 576 LEU B CB 1 ATOM 8693 C CG . LEU B 1 494 ? 21.962 32.535 -9.474 1.00 32.23 ? 576 LEU B CG 1 ATOM 8694 C CD1 . LEU B 1 494 ? 22.688 31.268 -9.080 1.00 43.32 ? 576 LEU B CD1 1 ATOM 8695 C CD2 . LEU B 1 494 ? 21.482 32.449 -10.916 1.00 27.81 ? 576 LEU B CD2 1 ATOM 8696 N N . LEU B 1 495 ? 18.878 33.198 -5.935 1.00 23.76 ? 577 LEU B N 1 ATOM 8697 C CA . LEU B 1 495 ? 17.599 33.760 -5.502 1.00 22.32 ? 577 LEU B CA 1 ATOM 8698 C C . LEU B 1 495 ? 17.595 34.225 -4.048 1.00 23.98 ? 577 LEU B C 1 ATOM 8699 O O . LEU B 1 495 ? 18.280 33.652 -3.203 1.00 33.57 ? 577 LEU B O 1 ATOM 8700 C CB . LEU B 1 495 ? 16.492 32.724 -5.693 1.00 17.58 ? 577 LEU B CB 1 ATOM 8701 C CG . LEU B 1 495 ? 16.339 32.146 -7.099 1.00 15.84 ? 577 LEU B CG 1 ATOM 8702 C CD1 . LEU B 1 495 ? 15.300 31.041 -7.103 1.00 27.68 ? 577 LEU B CD1 1 ATOM 8703 C CD2 . LEU B 1 495 ? 15.968 33.241 -8.087 1.00 15.84 ? 577 LEU B CD2 1 ATOM 8704 N N . LYS B 1 496 ? 16.814 35.265 -3.767 1.00 22.58 ? 578 LYS B N 1 ATOM 8705 C CA . LYS B 1 496 ? 16.596 35.724 -2.398 1.00 24.46 ? 578 LYS B CA 1 ATOM 8706 C C . LYS B 1 496 ? 15.820 34.667 -1.619 1.00 27.57 ? 578 LYS B C 1 ATOM 8707 O O . LYS B 1 496 ? 16.262 34.203 -0.568 1.00 27.27 ? 578 LYS B O 1 ATOM 8708 C CB . LYS B 1 496 ? 15.820 37.041 -2.376 1.00 18.93 ? 578 LYS B CB 1 ATOM 8709 C CG . LYS B 1 496 ? 16.561 38.220 -2.985 1.00 25.63 ? 578 LYS B CG 1 ATOM 8710 C CD . LYS B 1 496 ? 15.891 39.530 -2.612 1.00 29.19 ? 578 LYS B CD 1 ATOM 8711 C CE . LYS B 1 496 ? 16.576 40.716 -3.268 1.00 21.36 ? 578 LYS B CE 1 ATOM 8712 N NZ . LYS B 1 496 ? 16.354 40.761 -4.740 1.00 17.56 ? 578 LYS B NZ 1 ATOM 8713 N N . LYS B 1 497 ? 14.658 34.295 -2.146 1.00 29.44 ? 579 LYS B N 1 ATOM 8714 C CA . LYS B 1 497 ? 13.811 33.276 -1.535 1.00 31.31 ? 579 LYS B CA 1 ATOM 8715 C C . LYS B 1 497 ? 13.622 32.098 -2.483 1.00 25.42 ? 579 LYS B C 1 ATOM 8716 O O . LYS B 1 497 ? 12.764 32.140 -3.364 1.00 31.69 ? 579 LYS B O 1 ATOM 8717 C CB . LYS B 1 497 ? 12.446 33.863 -1.165 1.00 40.27 ? 579 LYS B CB 1 ATOM 8718 C CG . LYS B 1 497 ? 12.395 34.627 0.149 1.00 47.58 ? 579 LYS B CG 1 ATOM 8719 C CD . LYS B 1 497 ? 10.948 34.939 0.512 1.00 62.26 ? 579 LYS B CD 1 ATOM 8720 C CE . LYS B 1 497 ? 10.820 36.187 1.368 1.00 73.92 ? 579 LYS B CE 1 ATOM 8721 N NZ . LYS B 1 497 ? 11.094 35.908 2.806 1.00 73.82 ? 579 LYS B NZ 1 ATOM 8722 N N . PRO B 1 498 ? 14.429 31.044 -2.306 1.00 22.39 ? 580 PRO B N 1 ATOM 8723 C CA . PRO B 1 498 ? 14.339 29.837 -3.134 1.00 28.27 ? 580 PRO B CA 1 ATOM 8724 C C . PRO B 1 498 ? 12.961 29.187 -3.071 1.00 22.64 ? 580 PRO B C 1 ATOM 8725 O O . PRO B 1 498 ? 12.365 29.102 -1.998 1.00 25.87 ? 580 PRO B O 1 ATOM 8726 C CB . PRO B 1 498 ? 15.385 28.912 -2.505 1.00 36.53 ? 580 PRO B CB 1 ATOM 8727 C CG . PRO B 1 498 ? 16.364 29.834 -1.865 1.00 36.70 ? 580 PRO B CG 1 ATOM 8728 C CD . PRO B 1 498 ? 15.545 30.977 -1.348 1.00 32.68 ? 580 PRO B CD 1 ATOM 8729 N N . ILE B 1 499 ? 12.465 28.733 -4.217 1.00 36.37 ? 581 ILE B N 1 ATOM 8730 C CA . ILE B 1 499 ? 11.139 28.129 -4.294 1.00 39.62 ? 581 ILE B CA 1 ATOM 8731 C C . ILE B 1 499 ? 11.210 26.625 -4.041 1.00 38.63 ? 581 ILE B C 1 ATOM 8732 O O . ILE B 1 499 ? 10.419 26.072 -3.275 1.00 43.25 ? 581 ILE B O 1 ATOM 8733 C CB . ILE B 1 499 ? 10.468 28.400 -5.660 1.00 37.61 ? 581 ILE B CB 1 ATOM 8734 C CG1 . ILE B 1 499 ? 10.040 29.868 -5.774 1.00 39.84 ? 581 ILE B CG1 1 ATOM 8735 C CG2 . ILE B 1 499 ? 9.259 27.497 -5.858 1.00 36.67 ? 581 ILE B CG2 1 ATOM 8736 C CD1 . ILE B 1 499 ? 11.135 30.808 -6.242 1.00 40.12 ? 581 ILE B CD1 1 ATOM 8737 N N . TYR B 1 500 ? 12.174 25.972 -4.681 1.00 35.48 ? 582 TYR B N 1 ATOM 8738 C CA . TYR B 1 500 ? 12.334 24.526 -4.572 1.00 38.35 ? 582 TYR B CA 1 ATOM 8739 C C . TYR B 1 500 ? 13.529 24.142 -3.703 1.00 42.10 ? 582 TYR B C 1 ATOM 8740 O O . TYR B 1 500 ? 14.647 24.609 -3.922 1.00 43.24 ? 582 TYR B O 1 ATOM 8741 C CB . TYR B 1 500 ? 12.473 23.906 -5.965 1.00 31.84 ? 582 TYR B CB 1 ATOM 8742 C CG . TYR B 1 500 ? 12.657 22.406 -5.966 1.00 28.23 ? 582 TYR B CG 1 ATOM 8743 C CD1 . TYR B 1 500 ? 11.580 21.554 -5.764 1.00 35.79 ? 582 TYR B CD1 1 ATOM 8744 C CD2 . TYR B 1 500 ? 13.907 21.841 -6.186 1.00 22.20 ? 582 TYR B CD2 1 ATOM 8745 C CE1 . TYR B 1 500 ? 11.744 20.183 -5.769 1.00 39.85 ? 582 TYR B CE1 1 ATOM 8746 C CE2 . TYR B 1 500 ? 14.080 20.470 -6.195 1.00 25.98 ? 582 TYR B CE2 1 ATOM 8747 C CZ . TYR B 1 500 ? 12.996 19.646 -5.986 1.00 42.09 ? 582 TYR B CZ 1 ATOM 8748 O OH . TYR B 1 500 ? 13.165 18.280 -5.992 1.00 50.25 ? 582 TYR B OH 1 ATOM 8749 N N . ASN B 1 501 ? 13.282 23.291 -2.713 1.00 40.69 ? 583 ASN B N 1 ATOM 8750 C CA . ASN B 1 501 ? 14.342 22.787 -1.849 1.00 30.55 ? 583 ASN B CA 1 ATOM 8751 C C . ASN B 1 501 ? 14.668 21.337 -2.192 1.00 33.66 ? 583 ASN B C 1 ATOM 8752 O O . ASN B 1 501 ? 13.918 20.425 -1.842 1.00 23.06 ? 583 ASN B O 1 ATOM 8753 C CB . ASN B 1 501 ? 13.957 22.917 -0.374 1.00 28.70 ? 583 ASN B CB 1 ATOM 8754 C CG . ASN B 1 501 ? 13.817 24.362 0.066 1.00 33.33 ? 583 ASN B CG 1 ATOM 8755 O OD1 . ASN B 1 501 ? 12.751 24.788 0.509 1.00 38.48 ? 583 ASN B OD1 1 ATOM 8756 N ND2 . ASN B 1 501 ? 14.898 25.124 -0.054 1.00 28.55 ? 583 ASN B ND2 1 ATOM 8757 N N . PRO B 1 502 ? 15.795 21.125 -2.887 1.00 39.18 ? 584 PRO B N 1 ATOM 8758 C CA . PRO B 1 502 ? 16.174 19.807 -3.407 1.00 29.19 ? 584 PRO B CA 1 ATOM 8759 C C . PRO B 1 502 ? 16.531 18.810 -2.309 1.00 26.63 ? 584 PRO B C 1 ATOM 8760 O O . PRO B 1 502 ? 16.862 19.198 -1.189 1.00 31.48 ? 584 PRO B O 1 ATOM 8761 C CB . PRO B 1 502 ? 17.410 20.114 -4.256 1.00 34.32 ? 584 PRO B CB 1 ATOM 8762 C CG . PRO B 1 502 ? 17.995 21.334 -3.632 1.00 30.60 ? 584 PRO B CG 1 ATOM 8763 C CD . PRO B 1 502 ? 16.817 22.147 -3.174 1.00 38.09 ? 584 PRO B CD 1 ATOM 8764 N N . SER B 1 503 ? 16.462 17.528 -2.647 1.00 36.00 ? 585 SER B N 1 ATOM 8765 C CA . SER B 1 503 ? 16.821 16.462 -1.723 1.00 40.26 ? 585 SER B CA 1 ATOM 8766 C C . SER B 1 503 ? 17.731 15.460 -2.419 1.00 34.57 ? 585 SER B C 1 ATOM 8767 O O . SER B 1 503 ? 17.798 15.418 -3.648 1.00 33.98 ? 585 SER B O 1 ATOM 8768 C CB . SER B 1 503 ? 15.568 15.755 -1.203 1.00 39.07 ? 585 SER B CB 1 ATOM 8769 O OG . SER B 1 503 ? 14.713 16.663 -0.529 1.00 47.75 ? 585 SER B OG 1 ATOM 8770 N N . HIS B 1 504 ? 18.433 14.655 -1.630 1.00 35.15 ? 586 HIS B N 1 ATOM 8771 C CA . HIS B 1 504 ? 19.288 13.614 -2.182 1.00 37.68 ? 586 HIS B CA 1 ATOM 8772 C C . HIS B 1 504 ? 18.440 12.470 -2.726 1.00 40.14 ? 586 HIS B C 1 ATOM 8773 O O . HIS B 1 504 ? 17.396 12.146 -2.161 1.00 41.88 ? 586 HIS B O 1 ATOM 8774 C CB . HIS B 1 504 ? 20.273 13.097 -1.129 1.00 35.40 ? 586 HIS B CB 1 ATOM 8775 C CG . HIS B 1 504 ? 21.427 14.016 -0.878 1.00 27.60 ? 586 HIS B CG 1 ATOM 8776 N ND1 . HIS B 1 504 ? 22.421 14.233 -1.808 1.00 28.52 ? 586 HIS B ND1 1 ATOM 8777 C CD2 . HIS B 1 504 ? 21.746 14.776 0.197 1.00 24.32 ? 586 HIS B CD2 1 ATOM 8778 C CE1 . HIS B 1 504 ? 23.301 15.087 -1.317 1.00 31.02 ? 586 HIS B CE1 1 ATOM 8779 N NE2 . HIS B 1 504 ? 22.915 15.432 -0.102 1.00 22.78 ? 586 HIS B NE2 1 ATOM 8780 N N . PRO B 1 505 ? 18.889 11.853 -3.832 1.00 34.04 ? 587 PRO B N 1 ATOM 8781 C CA . PRO B 1 505 ? 18.166 10.724 -4.425 1.00 21.66 ? 587 PRO B CA 1 ATOM 8782 C C . PRO B 1 505 ? 18.176 9.512 -3.505 1.00 29.04 ? 587 PRO B C 1 ATOM 8783 O O . PRO B 1 505 ? 19.233 9.122 -3.009 1.00 32.04 ? 587 PRO B O 1 ATOM 8784 C CB . PRO B 1 505 ? 18.968 10.425 -5.696 1.00 20.78 ? 587 PRO B CB 1 ATOM 8785 C CG . PRO B 1 505 ? 20.334 10.943 -5.410 1.00 35.67 ? 587 PRO B CG 1 ATOM 8786 C CD . PRO B 1 505 ? 20.127 12.164 -4.568 1.00 38.82 ? 587 PRO B CD 1 ATOM 8787 N N . LYS B 1 506 ? 17.002 8.931 -3.277 1.00 38.16 ? 588 LYS B N 1 ATOM 8788 C CA . LYS B 1 506 ? 16.888 7.756 -2.424 1.00 39.57 ? 588 LYS B CA 1 ATOM 8789 C C . LYS B 1 506 ? 17.625 6.566 -3.025 1.00 46.27 ? 588 LYS B C 1 ATOM 8790 O O . LYS B 1 506 ? 17.757 6.457 -4.245 1.00 47.81 ? 588 LYS B O 1 ATOM 8791 C CB . LYS B 1 506 ? 15.421 7.402 -2.172 1.00 36.01 ? 588 LYS B CB 1 ATOM 8792 N N . GLU B 1 507 ? 18.100 5.675 -2.164 1.00 45.39 ? 589 GLU B N 1 ATOM 8793 C CA . GLU B 1 507 ? 18.835 4.502 -2.613 1.00 44.41 ? 589 GLU B CA 1 ATOM 8794 C C . GLU B 1 507 ? 17.872 3.402 -3.042 1.00 51.74 ? 589 GLU B C 1 ATOM 8795 O O . GLU B 1 507 ? 17.143 2.847 -2.221 1.00 44.73 ? 589 GLU B O 1 ATOM 8796 C CB . GLU B 1 507 ? 19.768 4.008 -1.506 1.00 38.91 ? 589 GLU B CB 1 ATOM 8797 C CG . GLU B 1 507 ? 20.886 3.102 -1.989 1.00 32.94 ? 589 GLU B CG 1 ATOM 8798 C CD . GLU B 1 507 ? 21.958 2.894 -0.941 1.00 38.24 ? 589 GLU B CD 1 ATOM 8799 O OE1 . GLU B 1 507 ? 21.617 2.849 0.261 1.00 38.80 ? 589 GLU B OE1 1 ATOM 8800 O OE2 . GLU B 1 507 ? 23.142 2.777 -1.320 1.00 40.31 ? 589 GLU B OE2 1 ATOM 8801 N N . GLU B 1 508 ? 17.875 3.092 -4.334 1.00 61.24 ? 590 GLU B N 1 ATOM 8802 C CA . GLU B 1 508 ? 16.969 2.092 -4.885 1.00 63.12 ? 590 GLU B CA 1 ATOM 8803 C C . GLU B 1 508 ? 17.582 0.696 -4.894 1.00 61.12 ? 590 GLU B C 1 ATOM 8804 O O . GLU B 1 508 ? 16.884 -0.294 -5.121 1.00 66.50 ? 590 GLU B O 1 ATOM 8805 C CB . GLU B 1 508 ? 16.548 2.485 -6.303 1.00 64.24 ? 590 GLU B CB 1 ATOM 8806 C CG . GLU B 1 508 ? 15.750 3.778 -6.387 1.00 71.21 ? 590 GLU B CG 1 ATOM 8807 C CD . GLU B 1 508 ? 14.357 3.653 -5.794 1.00 84.11 ? 590 GLU B CD 1 ATOM 8808 O OE1 . GLU B 1 508 ? 13.707 4.697 -5.576 1.00 82.15 ? 590 GLU B OE1 1 ATOM 8809 O OE2 . GLU B 1 508 ? 13.908 2.513 -5.549 1.00 92.78 ? 590 GLU B OE2 1 ATOM 8810 N N . GLY B 1 509 ? 18.886 0.622 -4.650 1.00 54.44 ? 591 GLY B N 1 ATOM 8811 C CA . GLY B 1 509 ? 19.594 -0.646 -4.669 1.00 51.48 ? 591 GLY B CA 1 ATOM 8812 C C . GLY B 1 509 ? 19.223 -1.535 -3.498 1.00 53.80 ? 591 GLY B C 1 ATOM 8813 O O . GLY B 1 509 ? 19.003 -1.051 -2.387 1.00 58.10 ? 591 GLY B O 1 ATOM 8814 N N . PHE B 1 510 ? 19.147 -2.839 -3.745 1.00 62.68 ? 592 PHE B N 1 ATOM 8815 C CA . PHE B 1 510 ? 18.861 -3.802 -2.687 1.00 63.53 ? 592 PHE B CA 1 ATOM 8816 C C . PHE B 1 510 ? 20.156 -4.158 -1.968 1.00 70.88 ? 592 PHE B C 1 ATOM 8817 O O . PHE B 1 510 ? 20.862 -5.089 -2.359 1.00 70.19 ? 592 PHE B O 1 ATOM 8818 C CB . PHE B 1 510 ? 18.203 -5.059 -3.260 1.00 56.52 ? 592 PHE B CB 1 ATOM 8819 N N . LEU B 1 511 ? 20.460 -3.410 -0.912 1.00 74.31 ? 593 LEU B N 1 ATOM 8820 C CA . LEU B 1 511 ? 21.727 -3.554 -0.204 1.00 71.20 ? 593 LEU B CA 1 ATOM 8821 C C . LEU B 1 511 ? 21.760 -4.781 0.703 1.00 66.16 ? 593 LEU B C 1 ATOM 8822 O O . LEU B 1 511 ? 20.996 -4.881 1.661 1.00 69.42 ? 593 LEU B O 1 ATOM 8823 C CB . LEU B 1 511 ? 22.011 -2.295 0.617 1.00 74.50 ? 593 LEU B CB 1 ATOM 8824 C CG . LEU B 1 511 ? 23.487 -1.979 0.856 1.00 79.69 ? 593 LEU B CG 1 ATOM 8825 C CD1 . LEU B 1 511 ? 24.170 -1.612 -0.452 1.00 73.52 ? 593 LEU B CD1 1 ATOM 8826 C CD2 . LEU B 1 511 ? 23.635 -0.857 1.870 1.00 89.36 ? 593 LEU B CD2 1 ATOM 8827 N N . SER B 1 512 ? 22.657 -5.710 0.386 1.00 64.74 ? 594 SER B N 1 ATOM 8828 C CA . SER B 1 512 ? 22.834 -6.930 1.168 1.00 68.03 ? 594 SER B CA 1 ATOM 8829 C C . SER B 1 512 ? 24.278 -7.078 1.640 1.00 77.85 ? 594 SER B C 1 ATOM 8830 O O . SER B 1 512 ? 25.138 -6.270 1.289 1.00 78.30 ? 594 SER B O 1 ATOM 8831 C CB . SER B 1 512 ? 22.418 -8.152 0.348 1.00 62.58 ? 594 SER B CB 1 ATOM 8832 O OG . SER B 1 512 ? 23.121 -8.201 -0.882 1.00 64.72 ? 594 SER B OG 1 ATOM 8833 N N . GLN B 1 513 ? 24.537 -8.105 2.445 1.00 81.70 ? 595 GLN B N 1 ATOM 8834 C CA . GLN B 1 513 ? 25.873 -8.331 2.991 1.00 78.80 ? 595 GLN B CA 1 ATOM 8835 C C . GLN B 1 513 ? 26.471 -9.653 2.505 1.00 81.78 ? 595 GLN B C 1 ATOM 8836 O O . GLN B 1 513 ? 25.753 -10.633 2.304 1.00 79.96 ? 595 GLN B O 1 ATOM 8837 C CB . GLN B 1 513 ? 25.854 -8.279 4.521 1.00 67.18 ? 595 GLN B CB 1 ATOM 8838 N N . CYS B 1 514 ? 27.787 -9.670 2.312 1.00 82.72 ? 596 CYS B N 1 ATOM 8839 C CA . CYS B 1 514 ? 28.479 -10.850 1.796 1.00 82.80 ? 596 CYS B CA 1 ATOM 8840 C C . CYS B 1 514 ? 29.473 -11.423 2.802 1.00 80.94 ? 596 CYS B C 1 ATOM 8841 O O . CYS B 1 514 ? 30.601 -10.945 2.902 1.00 83.81 ? 596 CYS B O 1 ATOM 8842 C CB . CYS B 1 514 ? 29.224 -10.506 0.506 1.00 83.91 ? 596 CYS B CB 1 ATOM 8843 S SG . CYS B 1 514 ? 28.211 -9.739 -0.775 1.00 68.44 ? 596 CYS B SG 1 ATOM 8844 N N . PRO B 1 515 ? 29.063 -12.459 3.546 1.00 72.98 ? 597 PRO B N 1 ATOM 8845 C CA . PRO B 1 515 ? 29.986 -13.087 4.493 1.00 66.91 ? 597 PRO B CA 1 ATOM 8846 C C . PRO B 1 515 ? 30.819 -14.187 3.840 1.00 63.80 ? 597 PRO B C 1 ATOM 8847 O O . PRO B 1 515 ? 30.632 -14.521 2.670 1.00 56.66 ? 597 PRO B O 1 ATOM 8848 C CB . PRO B 1 515 ? 29.037 -13.697 5.523 1.00 66.18 ? 597 PRO B CB 1 ATOM 8849 C CG . PRO B 1 515 ? 27.841 -14.065 4.740 1.00 72.13 ? 597 PRO B CG 1 ATOM 8850 C CD . PRO B 1 515 ? 27.701 -13.016 3.659 1.00 69.59 ? 597 PRO B CD 1 ATOM 8851 N N . ILE B 1 516 ? 31.701 -14.779 4.635 1.00 59.52 ? 598 ILE B N 1 ATOM 8852 C CA . ILE B 1 516 ? 32.527 -15.880 4.184 1.00 59.36 ? 598 ILE B CA 1 ATOM 8853 C C . ILE B 1 516 ? 31.589 -17.053 4.054 1.00 74.64 ? 598 ILE B C 1 ATOM 8854 O O . ILE B 1 516 ? 30.939 -17.459 5.007 1.00 83.44 ? 598 ILE B O 1 ATOM 8855 C CB . ILE B 1 516 ? 33.664 -16.206 5.164 1.00 56.89 ? 598 ILE B CB 1 ATOM 8856 C CG1 . ILE B 1 516 ? 34.609 -15.015 5.301 1.00 48.53 ? 598 ILE B CG1 1 ATOM 8857 C CG2 . ILE B 1 516 ? 34.512 -17.299 4.613 1.00 56.67 ? 598 ILE B CG2 1 ATOM 8858 C CD1 . ILE B 1 516 ? 34.284 -14.061 6.425 1.00 38.81 ? 598 ILE B CD1 1 ATOM 8859 N N . LYS B 1 517 ? 31.429 -17.537 2.840 1.00 85.29 ? 599 LYS B N 1 ATOM 8860 C CA . LYS B 1 517 ? 30.442 -18.574 2.604 1.00 100.40 ? 599 LYS B CA 1 ATOM 8861 C C . LYS B 1 517 ? 31.007 -19.730 1.803 1.00 118.71 ? 599 LYS B C 1 ATOM 8862 O O . LYS B 1 517 ? 30.366 -20.776 1.745 1.00 124.88 ? 599 LYS B O 1 ATOM 8863 C CB . LYS B 1 517 ? 29.199 -18.012 1.924 1.00 92.31 ? 599 LYS B CB 1 ATOM 8864 N N . SER B 1 518 ? 32.128 -19.527 1.107 1.00 124.52 ? 600 SER B N 1 ATOM 8865 C CA . SER B 1 518 ? 32.657 -20.587 0.229 1.00 131.11 ? 600 SER B CA 1 ATOM 8866 C C . SER B 1 518 ? 34.064 -21.029 0.600 1.00 132.88 ? 600 SER B C 1 ATOM 8867 O O . SER B 1 518 ? 34.662 -20.556 1.564 1.00 137.19 ? 600 SER B O 1 ATOM 8868 C CB . SER B 1 518 ? 32.633 -20.145 -1.247 1.00 134.62 ? 600 SER B CB 1 ATOM 8869 O OG . SER B 1 518 ? 33.436 -21.038 -2.031 1.00 137.80 ? 600 SER B OG 1 ATOM 8870 N N . THR B 1 519 ? 34.586 -21.958 -0.189 1.00 125.82 ? 601 THR B N 1 ATOM 8871 C CA . THR B 1 519 ? 35.916 -22.496 0.037 1.00 115.19 ? 601 THR B CA 1 ATOM 8872 C C . THR B 1 519 ? 36.871 -22.239 -1.111 1.00 102.44 ? 601 THR B C 1 ATOM 8873 O O . THR B 1 519 ? 36.511 -22.397 -2.272 1.00 96.00 ? 601 THR B O 1 ATOM 8874 C CB . THR B 1 519 ? 35.842 -24.032 0.258 1.00 104.78 ? 601 THR B CB 1 ATOM 8875 O OG1 . THR B 1 519 ? 34.816 -24.348 1.207 1.00 103.18 ? 601 THR B OG1 1 ATOM 8876 C CG2 . THR B 1 519 ? 37.169 -24.583 0.750 1.00 102.19 ? 601 THR B CG2 1 ATOM 8877 N N . SER B 1 520 ? 38.089 -21.825 -0.766 1.00 99.90 ? 602 SER B N 1 ATOM 8878 C CA . SER B 1 520 ? 39.078 -21.392 -1.748 1.00 101.73 ? 602 SER B CA 1 ATOM 8879 C C . SER B 1 520 ? 39.576 -22.531 -2.632 1.00 97.83 ? 602 SER B C 1 ATOM 8880 O O . SER B 1 520 ? 40.061 -23.553 -2.144 1.00 93.66 ? 602 SER B O 1 ATOM 8881 C CB . SER B 1 520 ? 40.272 -20.754 -1.037 1.00 100.82 ? 602 SER B CB 1 ATOM 8882 O OG . SER B 1 520 ? 41.244 -20.305 -1.966 1.00 99.35 ? 602 SER B OG 1 ATOM 8883 N N . ASN B 1 521 ? 39.457 -22.333 -3.941 1.00 95.31 ? 603 ASN B N 1 ATOM 8884 C CA . ASN B 1 521 ? 39.994 -23.257 -4.925 1.00 93.25 ? 603 ASN B CA 1 ATOM 8885 C C . ASN B 1 521 ? 41.269 -22.669 -5.514 1.00 91.69 ? 603 ASN B C 1 ATOM 8886 O O . ASN B 1 521 ? 41.593 -21.511 -5.256 1.00 90.72 ? 603 ASN B O 1 ATOM 8887 C CB . ASN B 1 521 ? 38.962 -23.508 -6.022 1.00 95.40 ? 603 ASN B CB 1 ATOM 8888 C CG . ASN B 1 521 ? 37.578 -23.778 -5.461 1.00 98.03 ? 603 ASN B CG 1 ATOM 8889 O OD1 . ASN B 1 521 ? 37.433 -24.434 -4.430 1.00 100.11 ? 603 ASN B OD1 1 ATOM 8890 N ND2 . ASN B 1 521 ? 36.555 -23.262 -6.131 1.00 95.93 ? 603 ASN B ND2 1 ATOM 8891 N N . ASP B 1 522 ? 41.993 -23.455 -6.304 1.00 93.60 ? 604 ASP B N 1 ATOM 8892 C CA . ASP B 1 522 ? 43.275 -23.003 -6.833 1.00 97.83 ? 604 ASP B CA 1 ATOM 8893 C C . ASP B 1 522 ? 43.104 -22.049 -8.013 1.00 100.52 ? 604 ASP B C 1 ATOM 8894 O O . ASP B 1 522 ? 42.455 -22.375 -9.006 1.00 106.08 ? 604 ASP B O 1 ATOM 8895 C CB . ASP B 1 522 ? 44.126 -24.202 -7.260 1.00 95.94 ? 604 ASP B CB 1 ATOM 8896 C CG . ASP B 1 522 ? 45.589 -23.841 -7.471 1.00 94.76 ? 604 ASP B CG 1 ATOM 8897 O OD1 . ASP B 1 522 ? 45.912 -22.637 -7.556 1.00 92.80 ? 604 ASP B OD1 1 ATOM 8898 O OD2 . ASP B 1 522 ? 46.420 -24.769 -7.555 1.00 95.42 ? 604 ASP B OD2 1 ATOM 8899 N N . LEU B 1 523 ? 43.694 -20.864 -7.885 1.00 92.72 ? 605 LEU B N 1 ATOM 8900 C CA . LEU B 1 523 ? 43.627 -19.840 -8.919 1.00 88.82 ? 605 LEU B CA 1 ATOM 8901 C C . LEU B 1 523 ? 44.762 -20.032 -9.927 1.00 85.30 ? 605 LEU B C 1 ATOM 8902 O O . LEU B 1 523 ? 44.701 -19.530 -11.050 1.00 75.96 ? 605 LEU B O 1 ATOM 8903 C CB . LEU B 1 523 ? 43.674 -18.441 -8.305 1.00 86.65 ? 605 LEU B CB 1 ATOM 8904 C CG . LEU B 1 523 ? 42.510 -18.136 -7.353 1.00 82.87 ? 605 LEU B CG 1 ATOM 8905 C CD1 . LEU B 1 523 ? 42.595 -16.717 -6.809 1.00 76.70 ? 605 LEU B CD1 1 ATOM 8906 C CD2 . LEU B 1 523 ? 41.170 -18.373 -8.039 1.00 84.60 ? 605 LEU B CD2 1 ATOM 8907 N N . GLY B 1 524 ? 45.794 -20.764 -9.513 1.00 88.87 ? 606 GLY B N 1 ATOM 8908 C CA . GLY B 1 524 ? 46.945 -21.051 -10.356 1.00 91.11 ? 606 GLY B CA 1 ATOM 8909 C C . GLY B 1 524 ? 47.799 -19.842 -10.684 1.00 90.45 ? 606 GLY B C 1 ATOM 8910 O O . GLY B 1 524 ? 48.077 -19.560 -11.849 1.00 84.69 ? 606 GLY B O 1 ATOM 8911 N N . CYS B 1 525 ? 48.217 -19.132 -9.642 1.00 94.87 ? 607 CYS B N 1 ATOM 8912 C CA . CYS B 1 525 ? 49.031 -17.931 -9.795 1.00 99.99 ? 607 CYS B CA 1 ATOM 8913 C C . CYS B 1 525 ? 50.348 -17.977 -9.012 1.00 94.98 ? 607 CYS B C 1 ATOM 8914 O O . CYS B 1 525 ? 50.402 -18.525 -7.912 1.00 82.12 ? 607 CYS B O 1 ATOM 8915 C CB . CYS B 1 525 ? 48.220 -16.716 -9.365 1.00 101.87 ? 607 CYS B CB 1 ATOM 8916 S SG . CYS B 1 525 ? 46.768 -16.416 -10.393 1.00 144.57 ? 607 CYS B SG 1 ATOM 8917 N N . THR B 1 526 ? 51.404 -17.397 -9.580 1.00 102.33 ? 608 THR B N 1 ATOM 8918 C CA . THR B 1 526 ? 52.700 -17.341 -8.903 1.00 110.25 ? 608 THR B CA 1 ATOM 8919 C C . THR B 1 526 ? 52.911 -15.990 -8.215 1.00 114.19 ? 608 THR B C 1 ATOM 8920 O O . THR B 1 526 ? 52.904 -14.943 -8.865 1.00 111.90 ? 608 THR B O 1 ATOM 8921 C CB . THR B 1 526 ? 53.857 -17.580 -9.893 1.00 112.03 ? 608 THR B CB 1 ATOM 8922 O OG1 . THR B 1 526 ? 53.703 -18.861 -10.514 1.00 116.43 ? 608 THR B OG1 1 ATOM 8923 C CG2 . THR B 1 526 ? 55.197 -17.530 -9.172 1.00 109.67 ? 608 THR B CG2 1 ATOM 8924 N N . CYS B 1 527 ? 53.111 -16.031 -6.900 1.00 121.00 ? 609 CYS B N 1 ATOM 8925 C CA . CYS B 1 527 ? 53.290 -14.830 -6.087 1.00 125.37 ? 609 CYS B CA 1 ATOM 8926 C C . CYS B 1 527 ? 54.668 -14.773 -5.432 1.00 127.35 ? 609 CYS B C 1 ATOM 8927 O O . CYS B 1 527 ? 55.010 -15.628 -4.613 1.00 127.95 ? 609 CYS B O 1 ATOM 8928 C CB . CYS B 1 527 ? 52.201 -14.751 -5.015 1.00 125.21 ? 609 CYS B CB 1 ATOM 8929 S SG . CYS B 1 527 ? 50.513 -14.785 -5.645 1.00 192.47 ? 609 CYS B SG 1 ATOM 8930 N N . ASP B 1 528 ? 55.458 -13.767 -5.798 1.00 126.80 ? 610 ASP B N 1 ATOM 8931 C CA . ASP B 1 528 ? 56.791 -13.593 -5.235 1.00 128.22 ? 610 ASP B CA 1 ATOM 8932 C C . ASP B 1 528 ? 56.719 -12.951 -3.852 1.00 134.32 ? 610 ASP B C 1 ATOM 8933 O O . ASP B 1 528 ? 55.966 -11.999 -3.644 1.00 140.66 ? 610 ASP B O 1 ATOM 8934 C CB . ASP B 1 528 ? 57.658 -12.740 -6.165 1.00 123.20 ? 610 ASP B CB 1 ATOM 8935 N N . PRO B 1 529 ? 57.502 -13.481 -2.900 1.00 129.60 ? 611 PRO B N 1 ATOM 8936 C CA . PRO B 1 529 ? 57.569 -12.981 -1.521 1.00 123.38 ? 611 PRO B CA 1 ATOM 8937 C C . PRO B 1 529 ? 58.013 -11.523 -1.455 1.00 111.71 ? 611 PRO B C 1 ATOM 8938 O O . PRO B 1 529 ? 57.247 -10.690 -0.969 1.00 101.28 ? 611 PRO B O 1 ATOM 8939 C CB . PRO B 1 529 ? 58.628 -13.882 -0.877 1.00 125.79 ? 611 PRO B CB 1 ATOM 8940 C CG . PRO B 1 529 ? 58.606 -15.129 -1.690 1.00 127.00 ? 611 PRO B CG 1 ATOM 8941 C CD . PRO B 1 529 ? 58.332 -14.682 -3.091 1.00 126.87 ? 611 PRO B CD 1 ATOM 8942 N N . ASP B 1 547 ? 36.946 -0.731 13.775 1.00 44.79 ? 629 ASP B N 1 ATOM 8943 C CA . ASP B 1 547 ? 36.235 -1.168 12.579 1.00 55.07 ? 629 ASP B CA 1 ATOM 8944 C C . ASP B 1 547 ? 35.338 -0.042 12.070 1.00 51.21 ? 629 ASP B C 1 ATOM 8945 O O . ASP B 1 547 ? 35.211 0.173 10.865 1.00 33.83 ? 629 ASP B O 1 ATOM 8946 C CB . ASP B 1 547 ? 35.429 -2.439 12.891 1.00 68.93 ? 629 ASP B CB 1 ATOM 8947 C CG . ASP B 1 547 ? 34.758 -3.052 11.664 1.00 72.64 ? 629 ASP B CG 1 ATOM 8948 O OD1 . ASP B 1 547 ? 34.719 -2.423 10.586 1.00 81.93 ? 629 ASP B OD1 1 ATOM 8949 O OD2 . ASP B 1 547 ? 34.265 -4.194 11.786 1.00 64.01 ? 629 ASP B OD2 1 ATOM 8950 N N . ASP B 1 548 ? 34.741 0.694 13.001 1.00 63.17 ? 630 ASP B N 1 ATOM 8951 C CA . ASP B 1 548 ? 33.890 1.826 12.656 1.00 55.55 ? 630 ASP B CA 1 ATOM 8952 C C . ASP B 1 548 ? 34.772 2.967 12.169 1.00 46.37 ? 630 ASP B C 1 ATOM 8953 O O . ASP B 1 548 ? 34.358 3.818 11.382 1.00 36.52 ? 630 ASP B O 1 ATOM 8954 C CB . ASP B 1 548 ? 33.037 2.259 13.851 1.00 54.87 ? 630 ASP B CB 1 ATOM 8955 C CG . ASP B 1 548 ? 33.869 2.857 14.975 1.00 60.72 ? 630 ASP B CG 1 ATOM 8956 O OD1 . ASP B 1 548 ? 34.020 4.097 15.005 1.00 62.27 ? 630 ASP B OD1 1 ATOM 8957 O OD2 . ASP B 1 548 ? 34.379 2.089 15.822 1.00 56.15 ? 630 ASP B OD2 1 ATOM 8958 N N . ASP B 1 549 ? 36.006 2.947 12.662 1.00 47.61 ? 631 ASP B N 1 ATOM 8959 C CA . ASP B 1 549 ? 37.035 3.923 12.336 1.00 52.57 ? 631 ASP B CA 1 ATOM 8960 C C . ASP B 1 549 ? 37.573 3.749 10.926 1.00 48.07 ? 631 ASP B C 1 ATOM 8961 O O . ASP B 1 549 ? 37.867 4.727 10.241 1.00 46.23 ? 631 ASP B O 1 ATOM 8962 C CB . ASP B 1 549 ? 38.186 3.818 13.338 1.00 67.06 ? 631 ASP B CB 1 ATOM 8963 C CG . ASP B 1 549 ? 37.752 4.123 14.757 1.00 84.46 ? 631 ASP B CG 1 ATOM 8964 O OD1 . ASP B 1 549 ? 37.180 3.225 15.411 1.00 90.31 ? 631 ASP B OD1 1 ATOM 8965 O OD2 . ASP B 1 549 ? 37.980 5.263 15.215 1.00 89.12 ? 631 ASP B OD2 1 ATOM 8966 N N . ILE B 1 550 ? 37.698 2.500 10.494 1.00 52.62 ? 632 ILE B N 1 ATOM 8967 C CA . ILE B 1 550 ? 38.257 2.214 9.181 1.00 51.90 ? 632 ILE B CA 1 ATOM 8968 C C . ILE B 1 550 ? 37.227 2.464 8.085 1.00 44.86 ? 632 ILE B C 1 ATOM 8969 O O . ILE B 1 550 ? 37.580 2.633 6.919 1.00 42.77 ? 632 ILE B O 1 ATOM 8970 C CB . ILE B 1 550 ? 38.811 0.768 9.096 1.00 58.59 ? 632 ILE B CB 1 ATOM 8971 C CG1 . ILE B 1 550 ? 39.974 0.694 8.108 1.00 70.32 ? 632 ILE B CG1 1 ATOM 8972 C CG2 . ILE B 1 550 ? 37.701 -0.236 8.793 1.00 54.19 ? 632 ILE B CG2 1 ATOM 8973 C CD1 . ILE B 1 550 ? 41.144 1.572 8.505 1.00 81.63 ? 632 ILE B CD1 1 ATOM 8974 N N . TYR B 1 551 ? 35.955 2.481 8.466 1.00 41.43 ? 633 TYR B N 1 ATOM 8975 C CA . TYR B 1 551 ? 34.885 2.777 7.524 1.00 37.45 ? 633 TYR B CA 1 ATOM 8976 C C . TYR B 1 551 ? 34.908 4.251 7.146 1.00 41.89 ? 633 TYR B C 1 ATOM 8977 O O . TYR B 1 551 ? 35.018 4.601 5.972 1.00 42.29 ? 633 TYR B O 1 ATOM 8978 C CB . TYR B 1 551 ? 33.529 2.412 8.135 1.00 34.98 ? 633 TYR B CB 1 ATOM 8979 C CG . TYR B 1 551 ? 32.334 2.842 7.310 1.00 20.89 ? 633 TYR B CG 1 ATOM 8980 C CD1 . TYR B 1 551 ? 31.729 4.076 7.524 1.00 34.69 ? 633 TYR B CD1 1 ATOM 8981 C CD2 . TYR B 1 551 ? 31.812 2.022 6.318 1.00 33.02 ? 633 TYR B CD2 1 ATOM 8982 C CE1 . TYR B 1 551 ? 30.643 4.480 6.778 1.00 31.09 ? 633 TYR B CE1 1 ATOM 8983 C CE2 . TYR B 1 551 ? 30.721 2.419 5.565 1.00 27.23 ? 633 TYR B CE2 1 ATOM 8984 C CZ . TYR B 1 551 ? 30.143 3.650 5.801 1.00 29.26 ? 633 TYR B CZ 1 ATOM 8985 O OH . TYR B 1 551 ? 29.059 4.055 5.060 1.00 27.42 ? 633 TYR B OH 1 ATOM 8986 N N . HIS B 1 552 ? 34.803 5.107 8.159 1.00 47.49 ? 634 HIS B N 1 ATOM 8987 C CA . HIS B 1 552 ? 34.790 6.556 7.974 1.00 41.44 ? 634 HIS B CA 1 ATOM 8988 C C . HIS B 1 552 ? 36.074 7.053 7.314 1.00 37.44 ? 634 HIS B C 1 ATOM 8989 O O . HIS B 1 552 ? 36.094 8.113 6.693 1.00 46.21 ? 634 HIS B O 1 ATOM 8990 C CB . HIS B 1 552 ? 34.588 7.249 9.325 1.00 40.43 ? 634 HIS B CB 1 ATOM 8991 C CG . HIS B 1 552 ? 34.642 8.743 9.255 1.00 47.77 ? 634 HIS B CG 1 ATOM 8992 N ND1 . HIS B 1 552 ? 35.652 9.480 9.836 1.00 52.85 ? 634 HIS B ND1 1 ATOM 8993 C CD2 . HIS B 1 552 ? 33.811 9.640 8.672 1.00 48.43 ? 634 HIS B CD2 1 ATOM 8994 C CE1 . HIS B 1 552 ? 35.440 10.765 9.615 1.00 50.08 ? 634 HIS B CE1 1 ATOM 8995 N NE2 . HIS B 1 552 ? 34.330 10.889 8.910 1.00 47.85 ? 634 HIS B NE2 1 HETATM 8996 N N . MSE B 1 553 ? 37.146 6.283 7.456 1.00 28.41 ? 635 MSE B N 1 HETATM 8997 C CA . MSE B 1 553 ? 38.440 6.666 6.912 1.00 33.15 ? 635 MSE B CA 1 HETATM 8998 C C . MSE B 1 553 ? 38.475 6.473 5.397 1.00 37.84 ? 635 MSE B C 1 HETATM 8999 O O . MSE B 1 553 ? 39.182 7.187 4.684 1.00 30.52 ? 635 MSE B O 1 HETATM 9000 C CB . MSE B 1 553 ? 39.544 5.849 7.582 1.00 43.94 ? 635 MSE B CB 1 HETATM 9001 C CG . MSE B 1 553 ? 40.878 6.561 7.691 1.00 44.80 ? 635 MSE B CG 1 HETATM 9002 SE SE . MSE B 1 553 ? 41.999 5.773 9.080 1.00 124.36 ? 635 MSE B SE 1 HETATM 9003 C CE . MSE B 1 553 ? 40.836 6.069 10.619 1.00 20.29 ? 635 MSE B CE 1 ATOM 9004 N N . THR B 1 554 ? 37.701 5.507 4.913 1.00 48.47 ? 636 THR B N 1 ATOM 9005 C CA . THR B 1 554 ? 37.655 5.191 3.489 1.00 46.37 ? 636 THR B CA 1 ATOM 9006 C C . THR B 1 554 ? 36.575 5.996 2.768 1.00 42.51 ? 636 THR B C 1 ATOM 9007 O O . THR B 1 554 ? 36.741 6.374 1.608 1.00 42.28 ? 636 THR B O 1 ATOM 9008 C CB . THR B 1 554 ? 37.426 3.686 3.251 1.00 39.01 ? 636 THR B CB 1 ATOM 9009 O OG1 . THR B 1 554 ? 36.232 3.268 3.924 1.00 42.65 ? 636 THR B OG1 1 ATOM 9010 C CG2 . THR B 1 554 ? 38.605 2.883 3.775 1.00 21.63 ? 636 THR B CG2 1 ATOM 9011 N N . VAL B 1 555 ? 35.470 6.250 3.462 1.00 24.54 ? 637 VAL B N 1 ATOM 9012 C CA . VAL B 1 555 ? 34.400 7.090 2.932 1.00 24.37 ? 637 VAL B CA 1 ATOM 9013 C C . VAL B 1 555 ? 34.053 8.234 3.889 1.00 36.88 ? 637 VAL B C 1 ATOM 9014 O O . VAL B 1 555 ? 33.009 8.213 4.541 1.00 46.90 ? 637 VAL B O 1 ATOM 9015 C CB . VAL B 1 555 ? 33.136 6.261 2.608 1.00 28.76 ? 637 VAL B CB 1 ATOM 9016 C CG1 . VAL B 1 555 ? 33.273 5.599 1.251 1.00 35.21 ? 637 VAL B CG1 1 ATOM 9017 C CG2 . VAL B 1 555 ? 32.880 5.220 3.690 1.00 23.74 ? 637 VAL B CG2 1 ATOM 9018 N N . PRO B 1 556 ? 34.932 9.246 3.968 1.00 37.20 ? 638 PRO B N 1 ATOM 9019 C CA . PRO B 1 556 ? 34.778 10.334 4.941 1.00 35.39 ? 638 PRO B CA 1 ATOM 9020 C C . PRO B 1 556 ? 33.631 11.278 4.604 1.00 31.66 ? 638 PRO B C 1 ATOM 9021 O O . PRO B 1 556 ? 33.233 12.081 5.446 1.00 30.47 ? 638 PRO B O 1 ATOM 9022 C CB . PRO B 1 556 ? 36.114 11.074 4.844 1.00 28.05 ? 638 PRO B CB 1 ATOM 9023 C CG . PRO B 1 556 ? 36.566 10.827 3.448 1.00 25.50 ? 638 PRO B CG 1 ATOM 9024 C CD . PRO B 1 556 ? 36.120 9.432 3.117 1.00 30.96 ? 638 PRO B CD 1 ATOM 9025 N N . TYR B 1 557 ? 33.113 11.180 3.386 1.00 36.14 ? 639 TYR B N 1 ATOM 9026 C CA . TYR B 1 557 ? 32.025 12.041 2.946 1.00 39.73 ? 639 TYR B CA 1 ATOM 9027 C C . TYR B 1 557 ? 30.738 11.235 2.823 1.00 43.32 ? 639 TYR B C 1 ATOM 9028 O O . TYR B 1 557 ? 29.705 11.750 2.397 1.00 15.84 ? 639 TYR B O 1 ATOM 9029 C CB . TYR B 1 557 ? 32.384 12.684 1.608 1.00 34.19 ? 639 TYR B CB 1 ATOM 9030 C CG . TYR B 1 557 ? 33.824 13.138 1.541 1.00 30.20 ? 639 TYR B CG 1 ATOM 9031 C CD1 . TYR B 1 557 ? 34.335 14.035 2.471 1.00 26.02 ? 639 TYR B CD1 1 ATOM 9032 C CD2 . TYR B 1 557 ? 34.681 12.651 0.563 1.00 15.85 ? 639 TYR B CD2 1 ATOM 9033 C CE1 . TYR B 1 557 ? 35.653 14.445 2.419 1.00 23.10 ? 639 TYR B CE1 1 ATOM 9034 C CE2 . TYR B 1 557 ? 36.002 13.054 0.504 1.00 15.79 ? 639 TYR B CE2 1 ATOM 9035 C CZ . TYR B 1 557 ? 36.482 13.951 1.434 1.00 30.84 ? 639 TYR B CZ 1 ATOM 9036 O OH . TYR B 1 557 ? 37.795 14.359 1.379 1.00 39.49 ? 639 TYR B OH 1 ATOM 9037 N N . GLY B 1 558 ? 30.813 9.965 3.203 1.00 45.84 ? 640 GLY B N 1 ATOM 9038 C CA . GLY B 1 558 ? 29.686 9.061 3.080 1.00 42.09 ? 640 GLY B CA 1 ATOM 9039 C C . GLY B 1 558 ? 29.876 8.113 1.914 1.00 39.50 ? 640 GLY B C 1 ATOM 9040 O O . GLY B 1 558 ? 30.418 8.495 0.877 1.00 34.56 ? 640 GLY B O 1 ATOM 9041 N N . ARG B 1 559 ? 29.435 6.871 2.084 1.00 41.67 ? 641 ARG B N 1 ATOM 9042 C CA . ARG B 1 559 ? 29.519 5.880 1.020 1.00 37.35 ? 641 ARG B CA 1 ATOM 9043 C C . ARG B 1 559 ? 28.637 6.292 -0.153 1.00 39.34 ? 641 ARG B C 1 ATOM 9044 O O . ARG B 1 559 ? 27.602 6.931 0.042 1.00 49.93 ? 641 ARG B O 1 ATOM 9045 C CB . ARG B 1 559 ? 29.095 4.501 1.532 1.00 34.93 ? 641 ARG B CB 1 ATOM 9046 C CG . ARG B 1 559 ? 27.727 4.477 2.196 1.00 32.02 ? 641 ARG B CG 1 ATOM 9047 C CD . ARG B 1 559 ? 27.268 3.057 2.480 1.00 20.55 ? 641 ARG B CD 1 ATOM 9048 N NE . ARG B 1 559 ? 26.671 2.432 1.305 1.00 41.98 ? 641 ARG B NE 1 ATOM 9049 C CZ . ARG B 1 559 ? 25.362 2.341 1.094 1.00 41.94 ? 641 ARG B CZ 1 ATOM 9050 N NH1 . ARG B 1 559 ? 24.509 2.834 1.980 1.00 37.56 ? 641 ARG B NH1 1 ATOM 9051 N NH2 . ARG B 1 559 ? 24.904 1.760 -0.006 1.00 56.77 ? 641 ARG B NH2 1 ATOM 9052 N N . PRO B 1 560 ? 29.047 5.932 -1.378 1.00 32.20 ? 642 PRO B N 1 ATOM 9053 C CA . PRO B 1 560 ? 28.217 6.164 -2.564 1.00 37.33 ? 642 PRO B CA 1 ATOM 9054 C C . PRO B 1 560 ? 26.893 5.416 -2.460 1.00 35.62 ? 642 PRO B C 1 ATOM 9055 O O . PRO B 1 560 ? 26.881 4.236 -2.108 1.00 43.76 ? 642 PRO B O 1 ATOM 9056 C CB . PRO B 1 560 ? 29.062 5.575 -3.697 1.00 19.72 ? 642 PRO B CB 1 ATOM 9057 C CG . PRO B 1 560 ? 30.458 5.620 -3.193 1.00 19.70 ? 642 PRO B CG 1 ATOM 9058 C CD . PRO B 1 560 ? 30.358 5.360 -1.725 1.00 26.38 ? 642 PRO B CD 1 ATOM 9059 N N . ARG B 1 561 ? 25.793 6.099 -2.757 1.00 29.16 ? 643 ARG B N 1 ATOM 9060 C CA . ARG B 1 561 ? 24.480 5.472 -2.709 1.00 38.84 ? 643 ARG B CA 1 ATOM 9061 C C . ARG B 1 561 ? 24.144 4.843 -4.058 1.00 44.22 ? 643 ARG B C 1 ATOM 9062 O O . ARG B 1 561 ? 24.472 5.393 -5.109 1.00 19.92 ? 643 ARG B O 1 ATOM 9063 C CB . ARG B 1 561 ? 23.413 6.488 -2.304 1.00 42.04 ? 643 ARG B CB 1 ATOM 9064 C CG . ARG B 1 561 ? 23.743 7.215 -1.010 1.00 49.97 ? 643 ARG B CG 1 ATOM 9065 C CD . ARG B 1 561 ? 23.893 6.247 0.153 1.00 54.13 ? 643 ARG B CD 1 ATOM 9066 N NE . ARG B 1 561 ? 24.863 6.721 1.137 1.00 56.41 ? 643 ARG B NE 1 ATOM 9067 C CZ . ARG B 1 561 ? 24.574 7.534 2.148 1.00 46.85 ? 643 ARG B CZ 1 ATOM 9068 N NH1 . ARG B 1 561 ? 23.337 7.977 2.315 1.00 46.13 ? 643 ARG B NH1 1 ATOM 9069 N NH2 . ARG B 1 561 ? 25.527 7.908 2.989 1.00 46.45 ? 643 ARG B NH2 1 ATOM 9070 N N . ILE B 1 562 ? 23.479 3.692 -4.019 1.00 42.33 ? 644 ILE B N 1 ATOM 9071 C CA . ILE B 1 562 ? 23.139 2.944 -5.226 1.00 43.03 ? 644 ILE B CA 1 ATOM 9072 C C . ILE B 1 562 ? 21.798 3.368 -5.820 1.00 39.56 ? 644 ILE B C 1 ATOM 9073 O O . ILE B 1 562 ? 20.744 3.057 -5.265 1.00 43.95 ? 644 ILE B O 1 ATOM 9074 C CB . ILE B 1 562 ? 23.100 1.429 -4.943 1.00 43.30 ? 644 ILE B CB 1 ATOM 9075 C CG1 . ILE B 1 562 ? 24.335 0.999 -4.145 1.00 29.63 ? 644 ILE B CG1 1 ATOM 9076 C CG2 . ILE B 1 562 ? 22.970 0.644 -6.240 1.00 51.78 ? 644 ILE B CG2 1 ATOM 9077 C CD1 . ILE B 1 562 ? 25.643 1.256 -4.852 1.00 25.21 ? 644 ILE B CD1 1 ATOM 9078 N N . LEU B 1 563 ? 21.834 4.071 -6.948 1.00 33.36 ? 645 LEU B N 1 ATOM 9079 C CA . LEU B 1 563 ? 20.602 4.538 -7.579 1.00 31.01 ? 645 LEU B CA 1 ATOM 9080 C C . LEU B 1 563 ? 20.020 3.511 -8.552 1.00 41.18 ? 645 LEU B C 1 ATOM 9081 O O . LEU B 1 563 ? 18.967 3.741 -9.148 1.00 49.27 ? 645 LEU B O 1 ATOM 9082 C CB . LEU B 1 563 ? 20.852 5.862 -8.304 1.00 25.80 ? 645 LEU B CB 1 ATOM 9083 C CG . LEU B 1 563 ? 20.565 7.158 -7.541 1.00 35.33 ? 645 LEU B CG 1 ATOM 9084 C CD1 . LEU B 1 563 ? 21.220 7.160 -6.170 1.00 27.54 ? 645 LEU B CD1 1 ATOM 9085 C CD2 . LEU B 1 563 ? 21.012 8.365 -8.354 1.00 47.96 ? 645 LEU B CD2 1 ATOM 9086 N N . LEU B 1 564 ? 20.708 2.384 -8.715 1.00 40.91 ? 646 LEU B N 1 ATOM 9087 C CA . LEU B 1 564 ? 20.240 1.326 -9.607 1.00 42.85 ? 646 LEU B CA 1 ATOM 9088 C C . LEU B 1 564 ? 19.046 0.619 -8.976 1.00 59.30 ? 646 LEU B C 1 ATOM 9089 O O . LEU B 1 564 ? 19.068 0.285 -7.791 1.00 66.76 ? 646 LEU B O 1 ATOM 9090 C CB . LEU B 1 564 ? 21.357 0.311 -9.894 1.00 29.44 ? 646 LEU B CB 1 ATOM 9091 C CG . LEU B 1 564 ? 22.618 0.634 -10.710 1.00 30.89 ? 646 LEU B CG 1 ATOM 9092 C CD1 . LEU B 1 564 ? 23.362 1.853 -10.226 1.00 31.37 ? 646 LEU B CD1 1 ATOM 9093 C CD2 . LEU B 1 564 ? 23.551 -0.569 -10.714 1.00 43.97 ? 646 LEU B CD2 1 ATOM 9094 N N . LYS B 1 565 ? 18.006 0.391 -9.772 1.00 61.38 ? 647 LYS B N 1 ATOM 9095 C CA . LYS B 1 565 ? 16.794 -0.256 -9.280 1.00 60.37 ? 647 LYS B CA 1 ATOM 9096 C C . LYS B 1 565 ? 16.460 -1.483 -10.122 1.00 78.62 ? 647 LYS B C 1 ATOM 9097 O O . LYS B 1 565 ? 16.152 -1.361 -11.308 1.00 91.82 ? 647 LYS B O 1 ATOM 9098 C CB . LYS B 1 565 ? 15.619 0.723 -9.288 1.00 43.35 ? 647 LYS B CB 1 ATOM 9099 N N . GLN B 1 566 ? 16.512 -2.664 -9.510 1.00 76.25 ? 648 GLN B N 1 ATOM 9100 C CA . GLN B 1 566 ? 16.925 -2.813 -8.117 1.00 70.58 ? 648 GLN B CA 1 ATOM 9101 C C . GLN B 1 566 ? 18.137 -3.733 -8.000 1.00 74.27 ? 648 GLN B C 1 ATOM 9102 O O . GLN B 1 566 ? 18.004 -4.915 -7.680 1.00 73.29 ? 648 GLN B O 1 ATOM 9103 C CB . GLN B 1 566 ? 15.770 -3.365 -7.279 1.00 69.26 ? 648 GLN B CB 1 ATOM 9104 N N . HIS B 1 567 ? 19.317 -3.181 -8.264 1.00 75.53 ? 649 HIS B N 1 ATOM 9105 C CA . HIS B 1 567 ? 20.555 -3.954 -8.297 1.00 68.23 ? 649 HIS B CA 1 ATOM 9106 C C . HIS B 1 567 ? 20.917 -4.502 -6.916 1.00 72.75 ? 649 HIS B C 1 ATOM 9107 O O . HIS B 1 567 ? 20.656 -3.862 -5.896 1.00 84.15 ? 649 HIS B O 1 ATOM 9108 C CB . HIS B 1 567 ? 21.691 -3.085 -8.837 1.00 61.25 ? 649 HIS B CB 1 ATOM 9109 C CG . HIS B 1 567 ? 22.832 -3.863 -9.411 1.00 60.32 ? 649 HIS B CG 1 ATOM 9110 N ND1 . HIS B 1 567 ? 23.112 -3.880 -10.760 1.00 56.08 ? 649 HIS B ND1 1 ATOM 9111 C CD2 . HIS B 1 567 ? 23.769 -4.643 -8.823 1.00 66.93 ? 649 HIS B CD2 1 ATOM 9112 C CE1 . HIS B 1 567 ? 24.169 -4.641 -10.979 1.00 60.17 ? 649 HIS B CE1 1 ATOM 9113 N NE2 . HIS B 1 567 ? 24.587 -5.116 -9.820 1.00 69.68 ? 649 HIS B NE2 1 ATOM 9114 N N . ARG B 1 568 ? 21.518 -5.688 -6.891 1.00 67.23 ? 650 ARG B N 1 ATOM 9115 C CA . ARG B 1 568 ? 21.970 -6.298 -5.643 1.00 74.16 ? 650 ARG B CA 1 ATOM 9116 C C . ARG B 1 568 ? 23.434 -5.973 -5.373 1.00 66.03 ? 650 ARG B C 1 ATOM 9117 O O . ARG B 1 568 ? 24.321 -6.384 -6.121 1.00 65.48 ? 650 ARG B O 1 ATOM 9118 C CB . ARG B 1 568 ? 21.767 -7.814 -5.680 1.00 82.12 ? 650 ARG B CB 1 ATOM 9119 C CG . ARG B 1 568 ? 20.338 -8.261 -5.405 1.00 83.93 ? 650 ARG B CG 1 ATOM 9120 C CD . ARG B 1 568 ? 19.919 -9.426 -6.297 1.00 86.16 ? 650 ARG B CD 1 ATOM 9121 N NE . ARG B 1 568 ? 20.691 -10.644 -6.053 1.00 85.04 ? 650 ARG B NE 1 ATOM 9122 C CZ . ARG B 1 568 ? 21.741 -11.022 -6.775 1.00 81.33 ? 650 ARG B CZ 1 ATOM 9123 N NH1 . ARG B 1 568 ? 22.155 -10.275 -7.787 1.00 80.57 ? 650 ARG B NH1 1 ATOM 9124 N NH2 . ARG B 1 568 ? 22.381 -12.147 -6.484 1.00 79.20 ? 650 ARG B NH2 1 ATOM 9125 N N . VAL B 1 569 ? 23.678 -5.232 -4.296 1.00 57.17 ? 651 VAL B N 1 ATOM 9126 C CA . VAL B 1 569 ? 25.022 -4.767 -3.973 1.00 50.89 ? 651 VAL B CA 1 ATOM 9127 C C . VAL B 1 569 ? 25.441 -5.154 -2.556 1.00 54.51 ? 651 VAL B C 1 ATOM 9128 O O . VAL B 1 569 ? 24.674 -4.997 -1.607 1.00 62.01 ? 651 VAL B O 1 ATOM 9129 C CB . VAL B 1 569 ? 25.134 -3.232 -4.126 1.00 43.20 ? 651 VAL B CB 1 ATOM 9130 C CG1 . VAL B 1 569 ? 26.552 -2.760 -3.832 1.00 46.78 ? 651 VAL B CG1 1 ATOM 9131 C CG2 . VAL B 1 569 ? 24.700 -2.797 -5.520 1.00 27.57 ? 651 VAL B CG2 1 ATOM 9132 N N . CYS B 1 570 ? 26.662 -5.664 -2.425 1.00 47.81 ? 652 CYS B N 1 ATOM 9133 C CA . CYS B 1 570 ? 27.238 -5.959 -1.119 1.00 39.54 ? 652 CYS B CA 1 ATOM 9134 C C . CYS B 1 570 ? 28.347 -4.969 -0.790 1.00 51.60 ? 652 CYS B C 1 ATOM 9135 O O . CYS B 1 570 ? 29.047 -4.486 -1.681 1.00 60.32 ? 652 CYS B O 1 ATOM 9136 C CB . CYS B 1 570 ? 27.778 -7.389 -1.066 1.00 31.28 ? 652 CYS B CB 1 ATOM 9137 S SG . CYS B 1 570 ? 26.502 -8.647 -0.830 1.00 178.49 ? 652 CYS B SG 1 ATOM 9138 N N . LEU B 1 571 ? 28.500 -4.672 0.495 1.00 48.72 ? 653 LEU B N 1 ATOM 9139 C CA . LEU B 1 571 ? 29.548 -3.772 0.956 1.00 44.00 ? 653 LEU B CA 1 ATOM 9140 C C . LEU B 1 571 ? 30.715 -4.552 1.545 1.00 40.24 ? 653 LEU B C 1 ATOM 9141 O O . LEU B 1 571 ? 30.612 -5.113 2.636 1.00 44.56 ? 653 LEU B O 1 ATOM 9142 C CB . LEU B 1 571 ? 28.994 -2.793 1.993 1.00 45.22 ? 653 LEU B CB 1 ATOM 9143 C CG . LEU B 1 571 ? 27.967 -1.773 1.498 1.00 47.66 ? 653 LEU B CG 1 ATOM 9144 C CD1 . LEU B 1 571 ? 27.407 -0.968 2.662 1.00 56.50 ? 653 LEU B CD1 1 ATOM 9145 C CD2 . LEU B 1 571 ? 28.579 -0.855 0.453 1.00 45.43 ? 653 LEU B CD2 1 ATOM 9146 N N . LEU B 1 572 ? 31.825 -4.587 0.816 1.00 30.57 ? 654 LEU B N 1 ATOM 9147 C CA . LEU B 1 572 ? 33.000 -5.323 1.261 1.00 27.94 ? 654 LEU B CA 1 ATOM 9148 C C . LEU B 1 572 ? 34.007 -4.366 1.883 1.00 36.17 ? 654 LEU B C 1 ATOM 9149 O O . LEU B 1 572 ? 34.595 -3.533 1.193 1.00 29.43 ? 654 LEU B O 1 ATOM 9150 C CB . LEU B 1 572 ? 33.637 -6.092 0.101 1.00 35.83 ? 654 LEU B CB 1 ATOM 9151 C CG . LEU B 1 572 ? 33.113 -7.492 -0.238 1.00 45.49 ? 654 LEU B CG 1 ATOM 9152 C CD1 . LEU B 1 572 ? 31.625 -7.479 -0.564 1.00 45.18 ? 654 LEU B CD1 1 ATOM 9153 C CD2 . LEU B 1 572 ? 33.910 -8.086 -1.389 1.00 53.24 ? 654 LEU B CD2 1 ATOM 9154 N N . GLN B 1 573 ? 34.198 -4.489 3.192 1.00 49.06 ? 655 GLN B N 1 ATOM 9155 C CA . GLN B 1 573 ? 35.071 -3.578 3.920 1.00 52.56 ? 655 GLN B CA 1 ATOM 9156 C C . GLN B 1 573 ? 36.502 -4.091 4.036 1.00 43.59 ? 655 GLN B C 1 ATOM 9157 O O . GLN B 1 573 ? 36.731 -5.245 4.396 1.00 41.90 ? 655 GLN B O 1 ATOM 9158 C CB . GLN B 1 573 ? 34.503 -3.306 5.316 1.00 59.31 ? 655 GLN B CB 1 ATOM 9159 C CG . GLN B 1 573 ? 35.271 -2.269 6.123 1.00 61.75 ? 655 GLN B CG 1 ATOM 9160 C CD . GLN B 1 573 ? 35.228 -0.892 5.495 1.00 61.37 ? 655 GLN B CD 1 ATOM 9161 O OE1 . GLN B 1 573 ? 36.106 -0.525 4.714 1.00 59.11 ? 655 GLN B OE1 1 ATOM 9162 N NE2 . GLN B 1 573 ? 34.205 -0.118 5.836 1.00 63.47 ? 655 GLN B NE2 1 ATOM 9163 N N . GLN B 1 574 ? 37.461 -3.227 3.724 1.00 36.79 ? 656 GLN B N 1 ATOM 9164 C CA . GLN B 1 574 ? 38.866 -3.552 3.914 1.00 35.01 ? 656 GLN B CA 1 ATOM 9165 C C . GLN B 1 574 ? 39.512 -2.489 4.796 1.00 45.61 ? 656 GLN B C 1 ATOM 9166 O O . GLN B 1 574 ? 38.839 -1.571 5.263 1.00 51.69 ? 656 GLN B O 1 ATOM 9167 C CB . GLN B 1 574 ? 39.595 -3.655 2.571 1.00 33.31 ? 656 GLN B CB 1 ATOM 9168 C CG . GLN B 1 574 ? 39.244 -4.892 1.748 1.00 32.28 ? 656 GLN B CG 1 ATOM 9169 C CD . GLN B 1 574 ? 37.881 -4.807 1.083 1.00 42.50 ? 656 GLN B CD 1 ATOM 9170 O OE1 . GLN B 1 574 ? 37.236 -5.826 0.836 1.00 39.73 ? 656 GLN B OE1 1 ATOM 9171 N NE2 . GLN B 1 574 ? 37.439 -3.591 0.788 1.00 53.62 ? 656 GLN B NE2 1 ATOM 9172 N N . GLN B 1 575 ? 40.816 -2.610 5.018 1.00 51.41 ? 657 GLN B N 1 ATOM 9173 C CA . GLN B 1 575 ? 41.528 -1.692 5.902 1.00 55.32 ? 657 GLN B CA 1 ATOM 9174 C C . GLN B 1 575 ? 42.064 -0.455 5.186 1.00 54.25 ? 657 GLN B C 1 ATOM 9175 O O . GLN B 1 575 ? 42.466 0.511 5.830 1.00 62.79 ? 657 GLN B O 1 ATOM 9176 C CB . GLN B 1 575 ? 42.664 -2.418 6.623 1.00 65.35 ? 657 GLN B CB 1 ATOM 9177 C CG . GLN B 1 575 ? 42.174 -3.458 7.616 1.00 82.80 ? 657 GLN B CG 1 ATOM 9178 C CD . GLN B 1 575 ? 43.305 -4.188 8.307 1.00 104.99 ? 657 GLN B CD 1 ATOM 9179 O OE1 . GLN B 1 575 ? 44.468 -4.051 7.930 1.00 109.67 ? 657 GLN B OE1 1 ATOM 9180 N NE2 . GLN B 1 575 ? 42.969 -4.963 9.331 1.00 115.56 ? 657 GLN B NE2 1 ATOM 9181 N N . GLN B 1 576 ? 42.083 -0.485 3.858 1.00 48.44 ? 658 GLN B N 1 ATOM 9182 C CA . GLN B 1 576 ? 42.602 0.644 3.094 1.00 41.46 ? 658 GLN B CA 1 ATOM 9183 C C . GLN B 1 576 ? 41.541 1.217 2.164 1.00 35.50 ? 658 GLN B C 1 ATOM 9184 O O . GLN B 1 576 ? 41.627 2.374 1.757 1.00 37.31 ? 658 GLN B O 1 ATOM 9185 C CB . GLN B 1 576 ? 43.838 0.239 2.287 1.00 50.20 ? 658 GLN B CB 1 ATOM 9186 C CG . GLN B 1 576 ? 45.041 -0.161 3.137 1.00 58.77 ? 658 GLN B CG 1 ATOM 9187 C CD . GLN B 1 576 ? 45.777 1.023 3.727 1.00 68.06 ? 658 GLN B CD 1 ATOM 9188 O OE1 . GLN B 1 576 ? 46.724 1.539 3.132 1.00 74.06 ? 658 GLN B OE1 1 ATOM 9189 N NE2 . GLN B 1 576 ? 45.351 1.457 4.908 1.00 73.29 ? 658 GLN B NE2 1 ATOM 9190 N N . PHE B 1 577 ? 40.542 0.409 1.825 1.00 39.91 ? 659 PHE B N 1 ATOM 9191 C CA . PHE B 1 577 ? 39.507 0.855 0.902 1.00 43.99 ? 659 PHE B CA 1 ATOM 9192 C C . PHE B 1 577 ? 38.154 0.218 1.200 1.00 43.61 ? 659 PHE B C 1 ATOM 9193 O O . PHE B 1 577 ? 38.074 -0.815 1.864 1.00 47.21 ? 659 PHE B O 1 ATOM 9194 C CB . PHE B 1 577 ? 39.914 0.587 -0.551 1.00 49.41 ? 659 PHE B CB 1 ATOM 9195 C CG . PHE B 1 577 ? 40.021 -0.873 -0.897 1.00 53.78 ? 659 PHE B CG 1 ATOM 9196 C CD1 . PHE B 1 577 ? 41.174 -1.586 -0.614 1.00 50.03 ? 659 PHE B CD1 1 ATOM 9197 C CD2 . PHE B 1 577 ? 38.970 -1.528 -1.519 1.00 57.81 ? 659 PHE B CD2 1 ATOM 9198 C CE1 . PHE B 1 577 ? 41.271 -2.929 -0.934 1.00 52.67 ? 659 PHE B CE1 1 ATOM 9199 C CE2 . PHE B 1 577 ? 39.063 -2.868 -1.844 1.00 58.29 ? 659 PHE B CE2 1 ATOM 9200 C CZ . PHE B 1 577 ? 40.215 -3.569 -1.550 1.00 55.04 ? 659 PHE B CZ 1 ATOM 9201 N N . LEU B 1 578 ? 37.093 0.844 0.701 1.00 44.55 ? 660 LEU B N 1 ATOM 9202 C CA . LEU B 1 578 ? 35.750 0.288 0.795 1.00 43.21 ? 660 LEU B CA 1 ATOM 9203 C C . LEU B 1 578 ? 35.209 0.090 -0.611 1.00 41.83 ? 660 LEU B C 1 ATOM 9204 O O . LEU B 1 578 ? 35.253 1.008 -1.431 1.00 43.73 ? 660 LEU B O 1 ATOM 9205 C CB . LEU B 1 578 ? 34.831 1.222 1.583 1.00 40.61 ? 660 LEU B CB 1 ATOM 9206 C CG . LEU B 1 578 ? 33.367 0.780 1.658 1.00 41.68 ? 660 LEU B CG 1 ATOM 9207 C CD1 . LEU B 1 578 ? 33.234 -0.522 2.433 1.00 47.06 ? 660 LEU B CD1 1 ATOM 9208 C CD2 . LEU B 1 578 ? 32.494 1.863 2.271 1.00 39.80 ? 660 LEU B CD2 1 ATOM 9209 N N . THR B 1 579 ? 34.699 -1.103 -0.895 1.00 37.80 ? 661 THR B N 1 ATOM 9210 C CA . THR B 1 579 ? 34.236 -1.412 -2.243 1.00 39.58 ? 661 THR B CA 1 ATOM 9211 C C . THR B 1 579 ? 32.781 -1.874 -2.302 1.00 39.93 ? 661 THR B C 1 ATOM 9212 O O . THR B 1 579 ? 32.350 -2.726 -1.524 1.00 42.66 ? 661 THR B O 1 ATOM 9213 C CB . THR B 1 579 ? 35.146 -2.464 -2.922 1.00 35.48 ? 661 THR B CB 1 ATOM 9214 O OG1 . THR B 1 579 ? 34.522 -2.935 -4.122 1.00 36.44 ? 661 THR B OG1 1 ATOM 9215 C CG2 . THR B 1 579 ? 35.395 -3.644 -1.997 1.00 22.46 ? 661 THR B CG2 1 ATOM 9216 N N . GLY B 1 580 ? 32.031 -1.294 -3.235 1.00 33.86 ? 662 GLY B N 1 ATOM 9217 C CA . GLY B 1 580 ? 30.662 -1.704 -3.493 1.00 45.74 ? 662 GLY B CA 1 ATOM 9218 C C . GLY B 1 580 ? 30.640 -2.779 -4.562 1.00 50.54 ? 662 GLY B C 1 ATOM 9219 O O . GLY B 1 580 ? 30.851 -2.495 -5.741 1.00 46.93 ? 662 GLY B O 1 ATOM 9220 N N . TYR B 1 581 ? 30.384 -4.018 -4.154 1.00 52.06 ? 663 TYR B N 1 ATOM 9221 C CA . TYR B 1 581 ? 30.450 -5.144 -5.079 1.00 51.02 ? 663 TYR B CA 1 ATOM 9222 C C . TYR B 1 581 ? 29.075 -5.500 -5.645 1.00 55.47 ? 663 TYR B C 1 ATOM 9223 O O . TYR B 1 581 ? 28.071 -5.475 -4.934 1.00 54.44 ? 663 TYR B O 1 ATOM 9224 C CB . TYR B 1 581 ? 31.071 -6.362 -4.394 1.00 44.38 ? 663 TYR B CB 1 ATOM 9225 C CG . TYR B 1 581 ? 31.587 -7.411 -5.350 1.00 46.85 ? 663 TYR B CG 1 ATOM 9226 C CD1 . TYR B 1 581 ? 32.873 -7.324 -5.865 1.00 58.73 ? 663 TYR B CD1 1 ATOM 9227 C CD2 . TYR B 1 581 ? 30.800 -8.488 -5.730 1.00 47.48 ? 663 TYR B CD2 1 ATOM 9228 C CE1 . TYR B 1 581 ? 33.362 -8.277 -6.736 1.00 61.18 ? 663 TYR B CE1 1 ATOM 9229 C CE2 . TYR B 1 581 ? 31.281 -9.448 -6.603 1.00 52.18 ? 663 TYR B CE2 1 ATOM 9230 C CZ . TYR B 1 581 ? 32.563 -9.336 -7.102 1.00 55.78 ? 663 TYR B CZ 1 ATOM 9231 O OH . TYR B 1 581 ? 33.053 -10.285 -7.969 1.00 56.41 ? 663 TYR B OH 1 ATOM 9232 N N . SER B 1 582 ? 29.047 -5.833 -6.931 1.00 58.27 ? 664 SER B N 1 ATOM 9233 C CA . SER B 1 582 ? 27.818 -6.202 -7.629 1.00 51.47 ? 664 SER B CA 1 ATOM 9234 C C . SER B 1 582 ? 27.660 -7.718 -7.746 1.00 54.02 ? 664 SER B C 1 ATOM 9235 O O . SER B 1 582 ? 28.584 -8.411 -8.169 1.00 50.85 ? 664 SER B O 1 ATOM 9236 C CB . SER B 1 582 ? 27.799 -5.579 -9.025 1.00 44.22 ? 664 SER B CB 1 ATOM 9237 O OG . SER B 1 582 ? 26.702 -6.057 -9.781 1.00 50.05 ? 664 SER B OG 1 ATOM 9238 N N . LEU B 1 583 ? 26.491 -8.226 -7.364 1.00 57.85 ? 665 LEU B N 1 ATOM 9239 C CA . LEU B 1 583 ? 26.212 -9.657 -7.461 1.00 61.57 ? 665 LEU B CA 1 ATOM 9240 C C . LEU B 1 583 ? 25.719 -10.029 -8.857 1.00 65.37 ? 665 LEU B C 1 ATOM 9241 O O . LEU B 1 583 ? 25.874 -11.169 -9.297 1.00 72.70 ? 665 LEU B O 1 ATOM 9242 C CB . LEU B 1 583 ? 25.185 -10.090 -6.411 1.00 55.83 ? 665 LEU B CB 1 ATOM 9243 C CG . LEU B 1 583 ? 25.660 -10.420 -4.995 1.00 48.59 ? 665 LEU B CG 1 ATOM 9244 C CD1 . LEU B 1 583 ? 27.112 -10.883 -4.979 1.00 44.51 ? 665 LEU B CD1 1 ATOM 9245 C CD2 . LEU B 1 583 ? 25.456 -9.220 -4.091 1.00 55.73 ? 665 LEU B CD2 1 ATOM 9246 N N . ASP B 1 584 ? 25.126 -9.059 -9.547 1.00 60.49 ? 666 ASP B N 1 ATOM 9247 C CA . ASP B 1 584 ? 24.594 -9.274 -10.890 1.00 65.04 ? 666 ASP B CA 1 ATOM 9248 C C . ASP B 1 584 ? 25.689 -9.231 -11.943 1.00 62.07 ? 666 ASP B C 1 ATOM 9249 O O . ASP B 1 584 ? 25.554 -9.815 -13.017 1.00 68.65 ? 666 ASP B O 1 ATOM 9250 C CB . ASP B 1 584 ? 23.517 -8.235 -11.222 1.00 67.57 ? 666 ASP B CB 1 ATOM 9251 C CG . ASP B 1 584 ? 22.330 -8.302 -10.282 1.00 65.45 ? 666 ASP B CG 1 ATOM 9252 O OD1 . ASP B 1 584 ? 22.048 -9.397 -9.760 1.00 58.29 ? 666 ASP B OD1 1 ATOM 9253 O OD2 . ASP B 1 584 ? 21.682 -7.257 -10.060 1.00 70.24 ? 666 ASP B OD2 1 ATOM 9254 N N . LEU B 1 585 ? 26.775 -8.533 -11.630 1.00 55.22 ? 667 LEU B N 1 ATOM 9255 C CA . LEU B 1 585 ? 27.883 -8.385 -12.564 1.00 53.87 ? 667 LEU B CA 1 ATOM 9256 C C . LEU B 1 585 ? 29.132 -9.129 -12.099 1.00 59.58 ? 667 LEU B C 1 ATOM 9257 O O . LEU B 1 585 ? 30.083 -9.291 -12.865 1.00 62.25 ? 667 LEU B O 1 ATOM 9258 C CB . LEU B 1 585 ? 28.207 -6.902 -12.770 1.00 44.09 ? 667 LEU B CB 1 ATOM 9259 C CG . LEU B 1 585 ? 27.464 -6.159 -13.885 1.00 44.00 ? 667 LEU B CG 1 ATOM 9260 C CD1 . LEU B 1 585 ? 25.962 -6.141 -13.639 1.00 39.84 ? 667 LEU B CD1 1 ATOM 9261 C CD2 . LEU B 1 585 ? 28.002 -4.743 -14.025 1.00 50.26 ? 667 LEU B CD2 1 ATOM 9262 N N . LEU B 1 586 ? 29.119 -9.575 -10.845 1.00 60.22 ? 668 LEU B N 1 ATOM 9263 C CA . LEU B 1 586 ? 30.265 -10.255 -10.242 1.00 65.50 ? 668 LEU B CA 1 ATOM 9264 C C . LEU B 1 586 ? 31.539 -9.420 -10.332 1.00 68.12 ? 668 LEU B C 1 ATOM 9265 O O . LEU B 1 586 ? 32.637 -9.952 -10.504 1.00 65.43 ? 668 LEU B O 1 ATOM 9266 C CB . LEU B 1 586 ? 30.482 -11.645 -10.851 1.00 67.73 ? 668 LEU B CB 1 ATOM 9267 C CG . LEU B 1 586 ? 29.379 -12.678 -10.616 1.00 72.75 ? 668 LEU B CG 1 ATOM 9268 C CD1 . LEU B 1 586 ? 29.812 -14.046 -11.120 1.00 77.00 ? 668 LEU B CD1 1 ATOM 9269 C CD2 . LEU B 1 586 ? 29.006 -12.740 -9.143 1.00 73.00 ? 668 LEU B CD2 1 HETATM 9270 N N . MSE B 1 587 ? 31.380 -8.106 -10.212 1.00 64.14 ? 669 MSE B N 1 HETATM 9271 C CA . MSE B 1 587 ? 32.505 -7.183 -10.247 1.00 56.49 ? 669 MSE B CA 1 HETATM 9272 C C . MSE B 1 587 ? 32.164 -5.920 -9.459 1.00 46.12 ? 669 MSE B C 1 HETATM 9273 O O . MSE B 1 587 ? 30.996 -5.541 -9.366 1.00 50.27 ? 669 MSE B O 1 HETATM 9274 C CB . MSE B 1 587 ? 32.876 -6.844 -11.694 1.00 58.49 ? 669 MSE B CB 1 HETATM 9275 C CG . MSE B 1 587 ? 31.783 -6.145 -12.481 1.00 58.60 ? 669 MSE B CG 1 HETATM 9276 SE SE . MSE B 1 587 ? 32.303 -5.870 -14.338 1.00 144.57 ? 669 MSE B SE 1 HETATM 9277 C CE . MSE B 1 587 ? 32.546 -7.734 -14.860 1.00 72.25 ? 669 MSE B CE 1 ATOM 9278 N N . PRO B 1 588 ? 33.183 -5.268 -8.878 1.00 38.09 ? 670 PRO B N 1 ATOM 9279 C CA . PRO B 1 588 ? 32.967 -4.077 -8.051 1.00 38.30 ? 670 PRO B CA 1 ATOM 9280 C C . PRO B 1 588 ? 32.395 -2.906 -8.844 1.00 40.13 ? 670 PRO B C 1 ATOM 9281 O O . PRO B 1 588 ? 32.862 -2.616 -9.943 1.00 53.19 ? 670 PRO B O 1 ATOM 9282 C CB . PRO B 1 588 ? 34.378 -3.738 -7.562 1.00 35.67 ? 670 PRO B CB 1 ATOM 9283 C CG . PRO B 1 588 ? 35.285 -4.329 -8.578 1.00 31.11 ? 670 PRO B CG 1 ATOM 9284 C CD . PRO B 1 588 ? 34.614 -5.594 -9.005 1.00 42.57 ? 670 PRO B CD 1 ATOM 9285 N N . LEU B 1 589 ? 31.382 -2.253 -8.284 1.00 22.08 ? 671 LEU B N 1 ATOM 9286 C CA . LEU B 1 589 ? 30.794 -1.068 -8.896 1.00 32.17 ? 671 LEU B CA 1 ATOM 9287 C C . LEU B 1 589 ? 31.644 0.155 -8.581 1.00 33.74 ? 671 LEU B C 1 ATOM 9288 O O . LEU B 1 589 ? 31.853 1.016 -9.436 1.00 34.57 ? 671 LEU B O 1 ATOM 9289 C CB . LEU B 1 589 ? 29.359 -0.859 -8.411 1.00 28.28 ? 671 LEU B CB 1 ATOM 9290 C CG . LEU B 1 589 ? 28.350 -1.920 -8.851 1.00 30.72 ? 671 LEU B CG 1 ATOM 9291 C CD1 . LEU B 1 589 ? 26.949 -1.578 -8.365 1.00 29.42 ? 671 LEU B CD1 1 ATOM 9292 C CD2 . LEU B 1 589 ? 28.374 -2.076 -10.364 1.00 39.44 ? 671 LEU B CD2 1 ATOM 9293 N N . TRP B 1 590 ? 32.129 0.229 -7.346 1.00 32.46 ? 672 TRP B N 1 ATOM 9294 C CA . TRP B 1 590 ? 32.980 1.334 -6.924 1.00 22.32 ? 672 TRP B CA 1 ATOM 9295 C C . TRP B 1 590 ? 33.930 0.918 -5.809 1.00 28.10 ? 672 TRP B C 1 ATOM 9296 O O . TRP B 1 590 ? 33.666 -0.032 -5.073 1.00 28.84 ? 672 TRP B O 1 ATOM 9297 C CB . TRP B 1 590 ? 32.135 2.526 -6.469 1.00 24.85 ? 672 TRP B CB 1 ATOM 9298 C CG . TRP B 1 590 ? 31.121 2.187 -5.413 1.00 27.49 ? 672 TRP B CG 1 ATOM 9299 C CD1 . TRP B 1 590 ? 29.805 1.889 -5.610 1.00 29.63 ? 672 TRP B CD1 1 ATOM 9300 C CD2 . TRP B 1 590 ? 31.340 2.116 -3.998 1.00 34.13 ? 672 TRP B CD2 1 ATOM 9301 N NE1 . TRP B 1 590 ? 29.192 1.634 -4.408 1.00 30.60 ? 672 TRP B NE1 1 ATOM 9302 C CE2 . TRP B 1 590 ? 30.112 1.767 -3.403 1.00 31.26 ? 672 TRP B CE2 1 ATOM 9303 C CE3 . TRP B 1 590 ? 32.455 2.313 -3.177 1.00 38.81 ? 672 TRP B CE3 1 ATOM 9304 C CZ2 . TRP B 1 590 ? 29.967 1.611 -2.026 1.00 29.27 ? 672 TRP B CZ2 1 ATOM 9305 C CZ3 . TRP B 1 590 ? 32.309 2.156 -1.810 1.00 35.37 ? 672 TRP B CZ3 1 ATOM 9306 C CH2 . TRP B 1 590 ? 31.075 1.809 -1.249 1.00 28.75 ? 672 TRP B CH2 1 ATOM 9307 N N . ALA B 1 591 ? 35.036 1.644 -5.693 1.00 34.68 ? 673 ALA B N 1 ATOM 9308 C CA . ALA B 1 591 ? 36.014 1.417 -4.637 1.00 36.37 ? 673 ALA B CA 1 ATOM 9309 C C . ALA B 1 591 ? 36.532 2.753 -4.119 1.00 33.61 ? 673 ALA B C 1 ATOM 9310 O O . ALA B 1 591 ? 37.121 3.530 -4.870 1.00 39.50 ? 673 ALA B O 1 ATOM 9311 C CB . ALA B 1 591 ? 37.160 0.561 -5.148 1.00 20.47 ? 673 ALA B CB 1 ATOM 9312 N N . SER B 1 592 ? 36.318 3.017 -2.835 1.00 27.36 ? 674 SER B N 1 ATOM 9313 C CA . SER B 1 592 ? 36.724 4.287 -2.246 1.00 31.57 ? 674 SER B CA 1 ATOM 9314 C C . SER B 1 592 ? 37.900 4.118 -1.294 1.00 32.76 ? 674 SER B C 1 ATOM 9315 O O . SER B 1 592 ? 37.921 3.203 -0.476 1.00 18.94 ? 674 SER B O 1 ATOM 9316 C CB . SER B 1 592 ? 35.547 4.937 -1.519 1.00 17.50 ? 674 SER B CB 1 ATOM 9317 O OG . SER B 1 592 ? 35.907 6.204 -1.000 1.00 32.62 ? 674 SER B OG 1 ATOM 9318 N N . TYR B 1 593 ? 38.870 5.020 -1.399 1.00 31.98 ? 675 TYR B N 1 ATOM 9319 C CA . TYR B 1 593 ? 40.041 4.998 -0.531 1.00 28.48 ? 675 TYR B CA 1 ATOM 9320 C C . TYR B 1 593 ? 40.650 6.387 -0.381 1.00 27.09 ? 675 TYR B C 1 ATOM 9321 O O . TYR B 1 593 ? 40.425 7.270 -1.209 1.00 25.67 ? 675 TYR B O 1 ATOM 9322 C CB . TYR B 1 593 ? 41.084 4.013 -1.068 1.00 25.46 ? 675 TYR B CB 1 ATOM 9323 C CG . TYR B 1 593 ? 41.641 4.368 -2.428 1.00 27.81 ? 675 TYR B CG 1 ATOM 9324 C CD1 . TYR B 1 593 ? 40.993 3.962 -3.587 1.00 29.62 ? 675 TYR B CD1 1 ATOM 9325 C CD2 . TYR B 1 593 ? 42.814 5.101 -2.556 1.00 19.79 ? 675 TYR B CD2 1 ATOM 9326 C CE1 . TYR B 1 593 ? 41.490 4.278 -4.833 1.00 32.50 ? 675 TYR B CE1 1 ATOM 9327 C CE2 . TYR B 1 593 ? 43.321 5.423 -3.802 1.00 34.14 ? 675 TYR B CE2 1 ATOM 9328 C CZ . TYR B 1 593 ? 42.654 5.006 -4.937 1.00 31.91 ? 675 TYR B CZ 1 ATOM 9329 O OH . TYR B 1 593 ? 43.145 5.318 -6.184 1.00 29.44 ? 675 TYR B OH 1 ATOM 9330 N N . THR B 1 594 ? 41.427 6.568 0.683 1.00 27.91 ? 676 THR B N 1 ATOM 9331 C CA . THR B 1 594 ? 42.076 7.845 0.959 1.00 32.19 ? 676 THR B CA 1 ATOM 9332 C C . THR B 1 594 ? 43.591 7.770 0.796 1.00 42.13 ? 676 THR B C 1 ATOM 9333 O O . THR B 1 594 ? 44.252 6.922 1.396 1.00 49.09 ? 676 THR B O 1 ATOM 9334 C CB . THR B 1 594 ? 41.748 8.348 2.380 1.00 34.87 ? 676 THR B CB 1 ATOM 9335 O OG1 . THR B 1 594 ? 40.336 8.555 2.503 1.00 25.58 ? 676 THR B OG1 1 ATOM 9336 C CG2 . THR B 1 594 ? 42.471 9.653 2.671 1.00 38.39 ? 676 THR B CG2 1 ATOM 9337 N N . PHE B 1 595 ? 44.132 8.669 -0.018 1.00 42.97 ? 677 PHE B N 1 ATOM 9338 C CA . PHE B 1 595 ? 45.563 8.715 -0.273 1.00 45.80 ? 677 PHE B CA 1 ATOM 9339 C C . PHE B 1 595 ? 46.087 10.001 0.363 1.00 51.48 ? 677 PHE B C 1 ATOM 9340 O O . PHE B 1 595 ? 45.755 11.104 -0.066 1.00 58.00 ? 677 PHE B O 1 ATOM 9341 C CB . PHE B 1 595 ? 45.839 8.663 -1.779 1.00 46.12 ? 677 PHE B CB 1 ATOM 9342 C CG . PHE B 1 595 ? 47.297 8.592 -2.133 1.00 56.04 ? 677 PHE B CG 1 ATOM 9343 C CD1 . PHE B 1 595 ? 48.007 7.424 -1.938 1.00 62.36 ? 677 PHE B CD1 1 ATOM 9344 C CD2 . PHE B 1 595 ? 47.940 9.662 -2.718 1.00 65.76 ? 677 PHE B CD2 1 ATOM 9345 C CE1 . PHE B 1 595 ? 49.342 7.338 -2.272 1.00 62.56 ? 677 PHE B CE1 1 ATOM 9346 C CE2 . PHE B 1 595 ? 49.278 9.579 -3.059 1.00 68.42 ? 677 PHE B CE2 1 ATOM 9347 C CZ . PHE B 1 595 ? 49.978 8.417 -2.836 1.00 61.36 ? 677 PHE B CZ 1 ATOM 9348 N N . LEU B 1 596 ? 46.918 9.833 1.386 1.00 52.18 ? 678 LEU B N 1 ATOM 9349 C CA . LEU B 1 596 ? 47.428 10.933 2.206 1.00 62.75 ? 678 LEU B CA 1 ATOM 9350 C C . LEU B 1 596 ? 48.612 11.665 1.575 1.00 75.69 ? 678 LEU B C 1 ATOM 9351 O O . LEU B 1 596 ? 49.030 11.334 0.467 1.00 87.34 ? 678 LEU B O 1 ATOM 9352 C CB . LEU B 1 596 ? 47.766 10.452 3.622 1.00 69.76 ? 678 LEU B CB 1 ATOM 9353 C CG . LEU B 1 596 ? 46.565 10.084 4.507 1.00 75.72 ? 678 LEU B CG 1 ATOM 9354 C CD1 . LEU B 1 596 ? 46.041 8.682 4.210 1.00 85.33 ? 678 LEU B CD1 1 ATOM 9355 C CD2 . LEU B 1 596 ? 46.909 10.227 5.982 1.00 76.44 ? 678 LEU B CD2 1 ATOM 9356 N N . SER B 1 597 ? 49.143 12.664 2.280 1.00 76.81 ? 679 SER B N 1 ATOM 9357 C CA . SER B 1 597 ? 50.190 13.512 1.714 1.00 82.75 ? 679 SER B CA 1 ATOM 9358 C C . SER B 1 597 ? 51.457 12.749 1.341 1.00 91.52 ? 679 SER B C 1 ATOM 9359 O O . SER B 1 597 ? 52.005 12.964 0.260 1.00 92.95 ? 679 SER B O 1 ATOM 9360 C CB . SER B 1 597 ? 50.547 14.625 2.703 1.00 83.93 ? 679 SER B CB 1 ATOM 9361 O OG . SER B 1 597 ? 49.409 15.053 3.431 1.00 88.35 ? 679 SER B OG 1 ATOM 9362 N N . ASN B 1 598 ? 51.935 11.870 2.214 1.00 98.00 ? 680 ASN B N 1 ATOM 9363 C CA . ASN B 1 598 ? 53.112 11.081 1.871 1.00 101.98 ? 680 ASN B CA 1 ATOM 9364 C C . ASN B 1 598 ? 53.066 9.684 2.480 1.00 104.95 ? 680 ASN B C 1 ATOM 9365 O O . ASN B 1 598 ? 53.467 9.488 3.627 1.00 112.10 ? 680 ASN B O 1 ATOM 9366 C CB . ASN B 1 598 ? 54.400 11.797 2.279 1.00 102.70 ? 680 ASN B CB 1 ATOM 9367 C CG . ASN B 1 598 ? 55.603 11.327 1.483 1.00 100.16 ? 680 ASN B CG 1 ATOM 9368 O OD1 . ASN B 1 598 ? 55.460 10.716 0.423 1.00 99.01 ? 680 ASN B OD1 1 ATOM 9369 N ND2 . ASN B 1 598 ? 56.796 11.614 1.988 1.00 97.50 ? 680 ASN B ND2 1 ATOM 9370 N N . ASP B 1 599 ? 52.588 8.715 1.707 1.00 99.17 ? 681 ASP B N 1 ATOM 9371 C CA . ASP B 1 599 ? 52.531 7.330 2.163 1.00 97.31 ? 681 ASP B CA 1 ATOM 9372 C C . ASP B 1 599 ? 52.417 6.369 0.981 1.00 97.69 ? 681 ASP B C 1 ATOM 9373 O O . ASP B 1 599 ? 53.352 6.221 0.195 1.00 95.00 ? 681 ASP B O 1 ATOM 9374 C CB . ASP B 1 599 ? 51.356 7.128 3.126 1.00 92.17 ? 681 ASP B CB 1 ATOM 9375 C CG . ASP B 1 599 ? 50.026 7.531 2.524 1.00 87.11 ? 681 ASP B CG 1 ATOM 9376 O OD1 . ASP B 1 599 ? 50.007 8.448 1.678 1.00 91.38 ? 681 ASP B OD1 1 ATOM 9377 O OD2 . ASP B 1 599 ? 48.996 6.933 2.904 1.00 76.75 ? 681 ASP B OD2 1 ATOM 9378 N N . ASN B 1 608 ? 50.642 -10.981 -11.327 1.00 64.94 ? 690 ASN B N 1 ATOM 9379 C CA . ASN B 1 608 ? 50.043 -12.271 -11.676 1.00 70.13 ? 690 ASN B CA 1 ATOM 9380 C C . ASN B 1 608 ? 49.523 -12.987 -10.414 1.00 67.22 ? 690 ASN B C 1 ATOM 9381 O O . ASN B 1 608 ? 49.000 -14.110 -10.469 1.00 59.67 ? 690 ASN B O 1 ATOM 9382 C CB . ASN B 1 608 ? 51.063 -13.134 -12.454 1.00 82.77 ? 690 ASN B CB 1 ATOM 9383 C CG . ASN B 1 608 ? 50.924 -14.621 -12.224 1.00 89.11 ? 690 ASN B CG 1 ATOM 9384 O OD1 . ASN B 1 608 ? 51.582 -15.190 -11.374 1.00 97.43 ? 690 ASN B OD1 1 ATOM 9385 N ND2 . ASN B 1 608 ? 50.078 -15.273 -13.022 1.00 81.03 ? 690 ASN B ND2 1 ATOM 9386 N N . CYS B 1 609 ? 49.554 -12.266 -9.294 1.00 71.51 ? 691 CYS B N 1 ATOM 9387 C CA . CYS B 1 609 ? 49.078 -12.844 -8.058 1.00 66.66 ? 691 CYS B CA 1 ATOM 9388 C C . CYS B 1 609 ? 47.782 -12.190 -7.629 1.00 63.66 ? 691 CYS B C 1 ATOM 9389 O O . CYS B 1 609 ? 47.560 -10.984 -7.798 1.00 62.51 ? 691 CYS B O 1 ATOM 9390 C CB . CYS B 1 609 ? 50.118 -12.702 -6.950 1.00 62.44 ? 691 CYS B CB 1 ATOM 9391 S SG . CYS B 1 609 ? 49.466 -13.066 -5.310 1.00 100.78 ? 691 CYS B SG 1 ATOM 9392 N N . LEU B 1 610 ? 46.931 -13.024 -7.058 1.00 59.41 ? 692 LEU B N 1 ATOM 9393 C CA . LEU B 1 610 ? 45.646 -12.591 -6.553 1.00 62.97 ? 692 LEU B CA 1 ATOM 9394 C C . LEU B 1 610 ? 45.190 -13.521 -5.427 1.00 74.50 ? 692 LEU B C 1 ATOM 9395 O O . LEU B 1 610 ? 45.587 -14.688 -5.345 1.00 82.23 ? 692 LEU B O 1 ATOM 9396 C CB . LEU B 1 610 ? 44.587 -12.557 -7.670 1.00 62.40 ? 692 LEU B CB 1 ATOM 9397 C CG . LEU B 1 610 ? 44.560 -11.421 -8.707 1.00 63.45 ? 692 LEU B CG 1 ATOM 9398 C CD1 . LEU B 1 610 ? 43.719 -11.789 -9.923 1.00 54.50 ? 692 LEU B CD1 1 ATOM 9399 C CD2 . LEU B 1 610 ? 44.077 -10.104 -8.114 1.00 71.59 ? 692 LEU B CD2 1 ATOM 9400 N N . TYR B 1 611 ? 44.328 -12.990 -4.572 1.00 75.92 ? 693 TYR B N 1 ATOM 9401 C CA . TYR B 1 611 ? 43.801 -13.772 -3.471 1.00 65.66 ? 693 TYR B CA 1 ATOM 9402 C C . TYR B 1 611 ? 42.294 -13.914 -3.632 1.00 59.25 ? 693 TYR B C 1 ATOM 9403 O O . TYR B 1 611 ? 41.597 -12.945 -3.946 1.00 62.49 ? 693 TYR B O 1 ATOM 9404 C CB . TYR B 1 611 ? 44.143 -13.130 -2.128 1.00 57.12 ? 693 TYR B CB 1 ATOM 9405 C CG . TYR B 1 611 ? 45.618 -13.148 -1.780 1.00 65.75 ? 693 TYR B CG 1 ATOM 9406 C CD1 . TYR B 1 611 ? 46.471 -12.156 -2.245 1.00 69.96 ? 693 TYR B CD1 1 ATOM 9407 C CD2 . TYR B 1 611 ? 46.156 -14.143 -0.970 1.00 65.94 ? 693 TYR B CD2 1 ATOM 9408 C CE1 . TYR B 1 611 ? 47.818 -12.150 -1.930 1.00 69.36 ? 693 TYR B CE1 1 ATOM 9409 C CE2 . TYR B 1 611 ? 47.504 -14.146 -0.648 1.00 65.51 ? 693 TYR B CE2 1 ATOM 9410 C CZ . TYR B 1 611 ? 48.332 -13.149 -1.129 1.00 67.67 ? 693 TYR B CZ 1 ATOM 9411 O OH . TYR B 1 611 ? 49.673 -13.154 -0.808 1.00 66.69 ? 693 TYR B OH 1 ATOM 9412 N N . GLN B 1 612 ? 41.785 -15.119 -3.412 1.00 55.11 ? 694 GLN B N 1 ATOM 9413 C CA . GLN B 1 612 ? 40.362 -15.357 -3.596 1.00 58.83 ? 694 GLN B CA 1 ATOM 9414 C C . GLN B 1 612 ? 39.576 -14.752 -2.441 1.00 56.65 ? 694 GLN B C 1 ATOM 9415 O O . GLN B 1 612 ? 39.829 -15.054 -1.277 1.00 59.34 ? 694 GLN B O 1 ATOM 9416 C CB . GLN B 1 612 ? 40.073 -16.849 -3.737 1.00 65.79 ? 694 GLN B CB 1 ATOM 9417 C CG . GLN B 1 612 ? 38.611 -17.181 -3.944 1.00 72.80 ? 694 GLN B CG 1 ATOM 9418 C CD . GLN B 1 612 ? 38.370 -18.671 -4.010 1.00 80.52 ? 694 GLN B CD 1 ATOM 9419 O OE1 . GLN B 1 612 ? 37.260 -19.145 -3.770 1.00 82.48 ? 694 GLN B OE1 1 ATOM 9420 N NE2 . GLN B 1 612 ? 39.412 -19.422 -4.347 1.00 85.75 ? 694 GLN B NE2 1 ATOM 9421 N N . ASP B 1 613 ? 38.637 -13.875 -2.776 1.00 56.77 ? 695 ASP B N 1 ATOM 9422 C CA . ASP B 1 613 ? 37.764 -13.284 -1.775 1.00 57.60 ? 695 ASP B CA 1 ATOM 9423 C C . ASP B 1 613 ? 36.632 -14.255 -1.462 1.00 53.81 ? 695 ASP B C 1 ATOM 9424 O O . ASP B 1 613 ? 35.725 -14.445 -2.271 1.00 53.83 ? 695 ASP B O 1 ATOM 9425 C CB . ASP B 1 613 ? 37.203 -11.948 -2.269 1.00 62.13 ? 695 ASP B CB 1 ATOM 9426 C CG . ASP B 1 613 ? 36.670 -11.082 -1.141 1.00 72.53 ? 695 ASP B CG 1 ATOM 9427 O OD1 . ASP B 1 613 ? 36.141 -11.636 -0.156 1.00 76.23 ? 695 ASP B OD1 1 ATOM 9428 O OD2 . ASP B 1 613 ? 36.786 -9.842 -1.236 1.00 77.17 ? 695 ASP B OD2 1 ATOM 9429 N N . LEU B 1 614 ? 36.699 -14.869 -0.287 1.00 44.38 ? 696 LEU B N 1 ATOM 9430 C CA . LEU B 1 614 ? 35.751 -15.906 0.109 1.00 41.05 ? 696 LEU B CA 1 ATOM 9431 C C . LEU B 1 614 ? 34.357 -15.355 0.383 1.00 56.16 ? 696 LEU B C 1 ATOM 9432 O O . LEU B 1 614 ? 33.421 -16.118 0.625 1.00 72.48 ? 696 LEU B O 1 ATOM 9433 C CB . LEU B 1 614 ? 36.269 -16.664 1.338 1.00 43.74 ? 696 LEU B CB 1 ATOM 9434 C CG . LEU B 1 614 ? 37.248 -17.828 1.133 1.00 52.58 ? 696 LEU B CG 1 ATOM 9435 C CD1 . LEU B 1 614 ? 38.449 -17.457 0.276 1.00 34.84 ? 696 LEU B CD1 1 ATOM 9436 C CD2 . LEU B 1 614 ? 37.707 -18.375 2.478 1.00 51.82 ? 696 LEU B CD2 1 ATOM 9437 N N . ARG B 1 615 ? 34.216 -14.034 0.344 1.00 50.75 ? 697 ARG B N 1 ATOM 9438 C CA . ARG B 1 615 ? 32.931 -13.400 0.610 1.00 49.07 ? 697 ARG B CA 1 ATOM 9439 C C . ARG B 1 615 ? 32.060 -13.323 -0.642 1.00 57.90 ? 697 ARG B C 1 ATOM 9440 O O . ARG B 1 615 ? 30.841 -13.167 -0.553 1.00 53.07 ? 697 ARG B O 1 ATOM 9441 C CB . ARG B 1 615 ? 33.136 -12.002 1.194 1.00 49.19 ? 697 ARG B CB 1 ATOM 9442 C CG . ARG B 1 615 ? 33.794 -11.993 2.561 1.00 50.66 ? 697 ARG B CG 1 ATOM 9443 C CD . ARG B 1 615 ? 34.172 -10.583 2.980 1.00 49.27 ? 697 ARG B CD 1 ATOM 9444 N NE . ARG B 1 615 ? 35.125 -9.981 2.051 1.00 55.33 ? 697 ARG B NE 1 ATOM 9445 C CZ . ARG B 1 615 ? 35.735 -8.818 2.253 1.00 53.91 ? 697 ARG B CZ 1 ATOM 9446 N NH1 . ARG B 1 615 ? 35.498 -8.121 3.357 1.00 47.76 ? 697 ARG B NH1 1 ATOM 9447 N NH2 . ARG B 1 615 ? 36.586 -8.350 1.350 1.00 55.77 ? 697 ARG B NH2 1 ATOM 9448 N N . ILE B 1 616 ? 32.692 -13.434 -1.805 1.00 68.22 ? 698 ILE B N 1 ATOM 9449 C CA . ILE B 1 616 ? 31.980 -13.386 -3.078 1.00 69.15 ? 698 ILE B CA 1 ATOM 9450 C C . ILE B 1 616 ? 32.049 -14.753 -3.759 1.00 64.94 ? 698 ILE B C 1 ATOM 9451 O O . ILE B 1 616 ? 33.014 -15.493 -3.565 1.00 63.77 ? 698 ILE B O 1 ATOM 9452 C CB . ILE B 1 616 ? 32.542 -12.293 -4.015 1.00 71.11 ? 698 ILE B CB 1 ATOM 9453 C CG1 . ILE B 1 616 ? 33.993 -12.600 -4.390 1.00 74.01 ? 698 ILE B CG1 1 ATOM 9454 C CG2 . ILE B 1 616 ? 32.448 -10.925 -3.354 1.00 62.88 ? 698 ILE B CG2 1 ATOM 9455 C CD1 . ILE B 1 616 ? 34.576 -11.654 -5.415 1.00 74.58 ? 698 ILE B CD1 1 ATOM 9456 N N . PRO B 1 617 ? 31.018 -15.103 -4.544 1.00 65.91 ? 699 PRO B N 1 ATOM 9457 C CA . PRO B 1 617 ? 31.065 -16.378 -5.269 1.00 75.92 ? 699 PRO B CA 1 ATOM 9458 C C . PRO B 1 617 ? 32.191 -16.403 -6.299 1.00 77.59 ? 699 PRO B C 1 ATOM 9459 O O . PRO B 1 617 ? 32.451 -15.387 -6.944 1.00 71.48 ? 699 PRO B O 1 ATOM 9460 C CB . PRO B 1 617 ? 29.698 -16.438 -5.966 1.00 74.04 ? 699 PRO B CB 1 ATOM 9461 C CG . PRO B 1 617 ? 29.218 -15.022 -6.001 1.00 65.76 ? 699 PRO B CG 1 ATOM 9462 C CD . PRO B 1 617 ? 29.740 -14.401 -4.745 1.00 62.30 ? 699 PRO B CD 1 ATOM 9463 N N . LEU B 1 618 ? 32.847 -17.550 -6.447 1.00 78.38 ? 700 LEU B N 1 ATOM 9464 C CA . LEU B 1 618 ? 33.978 -17.667 -7.360 1.00 67.18 ? 700 LEU B CA 1 ATOM 9465 C C . LEU B 1 618 ? 33.503 -17.736 -8.808 1.00 59.52 ? 700 LEU B C 1 ATOM 9466 O O . LEU B 1 618 ? 32.539 -18.434 -9.127 1.00 52.22 ? 700 LEU B O 1 ATOM 9467 C CB . LEU B 1 618 ? 34.826 -18.895 -7.028 1.00 61.40 ? 700 LEU B CB 1 ATOM 9468 C CG . LEU B 1 618 ? 36.077 -19.041 -7.898 1.00 65.40 ? 700 LEU B CG 1 ATOM 9469 C CD1 . LEU B 1 618 ? 37.127 -18.015 -7.490 1.00 65.84 ? 700 LEU B CD1 1 ATOM 9470 C CD2 . LEU B 1 618 ? 36.642 -20.447 -7.820 1.00 69.60 ? 700 LEU B CD2 1 ATOM 9471 N N . SER B 1 619 ? 34.190 -17.004 -9.677 1.00 59.61 ? 701 SER B N 1 ATOM 9472 C CA . SER B 1 619 ? 33.910 -17.015 -11.107 1.00 63.60 ? 701 SER B CA 1 ATOM 9473 C C . SER B 1 619 ? 35.163 -17.416 -11.879 1.00 67.63 ? 701 SER B C 1 ATOM 9474 O O . SER B 1 619 ? 36.277 -17.121 -11.449 1.00 63.03 ? 701 SER B O 1 ATOM 9475 C CB . SER B 1 619 ? 33.434 -15.633 -11.562 1.00 63.98 ? 701 SER B CB 1 ATOM 9476 O OG . SER B 1 619 ? 33.153 -15.614 -12.950 1.00 61.57 ? 701 SER B OG 1 ATOM 9477 N N . PRO B 1 620 ? 34.989 -18.114 -13.013 1.00 79.78 ? 702 PRO B N 1 ATOM 9478 C CA . PRO B 1 620 ? 36.129 -18.531 -13.839 1.00 89.01 ? 702 PRO B CA 1 ATOM 9479 C C . PRO B 1 620 ? 36.991 -17.349 -14.285 1.00 85.12 ? 702 PRO B C 1 ATOM 9480 O O . PRO B 1 620 ? 38.156 -17.542 -14.631 1.00 77.49 ? 702 PRO B O 1 ATOM 9481 C CB . PRO B 1 620 ? 35.460 -19.186 -15.049 1.00 96.27 ? 702 PRO B CB 1 ATOM 9482 C CG . PRO B 1 620 ? 34.161 -19.686 -14.525 1.00 94.50 ? 702 PRO B CG 1 ATOM 9483 C CD . PRO B 1 620 ? 33.718 -18.667 -13.513 1.00 87.59 ? 702 PRO B CD 1 ATOM 9484 N N . VAL B 1 621 ? 36.428 -16.145 -14.279 1.00 86.09 ? 703 VAL B N 1 ATOM 9485 C CA . VAL B 1 621 ? 37.187 -14.966 -14.673 1.00 82.82 ? 703 VAL B CA 1 ATOM 9486 C C . VAL B 1 621 ? 37.959 -14.392 -13.487 1.00 74.57 ? 703 VAL B C 1 ATOM 9487 O O . VAL B 1 621 ? 38.642 -13.377 -13.613 1.00 69.81 ? 703 VAL B O 1 ATOM 9488 C CB . VAL B 1 621 ? 36.279 -13.879 -15.276 1.00 81.95 ? 703 VAL B CB 1 ATOM 9489 C CG1 . VAL B 1 621 ? 35.607 -14.397 -16.532 1.00 87.06 ? 703 VAL B CG1 1 ATOM 9490 C CG2 . VAL B 1 621 ? 35.234 -13.440 -14.261 1.00 75.61 ? 703 VAL B CG2 1 ATOM 9491 N N . HIS B 1 622 ? 37.842 -15.047 -12.335 1.00 73.73 ? 704 HIS B N 1 ATOM 9492 C CA . HIS B 1 622 ? 38.572 -14.638 -11.140 1.00 76.29 ? 704 HIS B CA 1 ATOM 9493 C C . HIS B 1 622 ? 39.917 -15.347 -11.057 1.00 77.41 ? 704 HIS B C 1 ATOM 9494 O O . HIS B 1 622 ? 40.836 -14.870 -10.393 1.00 76.39 ? 704 HIS B O 1 ATOM 9495 C CB . HIS B 1 622 ? 37.761 -14.930 -9.875 1.00 77.60 ? 704 HIS B CB 1 ATOM 9496 C CG . HIS B 1 622 ? 36.528 -14.090 -9.740 1.00 73.61 ? 704 HIS B CG 1 ATOM 9497 N ND1 . HIS B 1 622 ? 35.614 -14.267 -8.723 1.00 72.90 ? 704 HIS B ND1 1 ATOM 9498 C CD2 . HIS B 1 622 ? 36.067 -13.059 -10.486 1.00 70.18 ? 704 HIS B CD2 1 ATOM 9499 C CE1 . HIS B 1 622 ? 34.639 -13.386 -8.853 1.00 76.31 ? 704 HIS B CE1 1 ATOM 9500 N NE2 . HIS B 1 622 ? 34.889 -12.641 -9.914 1.00 74.74 ? 704 HIS B NE2 1 ATOM 9501 N N . LYS B 1 623 ? 40.030 -16.491 -11.725 1.00 77.43 ? 705 LYS B N 1 ATOM 9502 C CA . LYS B 1 623 ? 41.274 -17.251 -11.703 1.00 71.45 ? 705 LYS B CA 1 ATOM 9503 C C . LYS B 1 623 ? 42.314 -16.604 -12.611 1.00 70.02 ? 705 LYS B C 1 ATOM 9504 O O . LYS B 1 623 ? 41.989 -16.137 -13.700 1.00 75.30 ? 705 LYS B O 1 ATOM 9505 C CB . LYS B 1 623 ? 41.027 -18.702 -12.122 1.00 66.77 ? 705 LYS B CB 1 ATOM 9506 N N . CYS B 1 624 ? 43.563 -16.578 -12.157 1.00 65.20 ? 706 CYS B N 1 ATOM 9507 C CA . CYS B 1 624 ? 44.640 -15.964 -12.924 1.00 65.46 ? 706 CYS B CA 1 ATOM 9508 C C . CYS B 1 624 ? 44.994 -16.787 -14.158 1.00 72.19 ? 706 CYS B C 1 ATOM 9509 O O . CYS B 1 624 ? 45.566 -16.270 -15.116 1.00 71.95 ? 706 CYS B O 1 ATOM 9510 C CB . CYS B 1 624 ? 45.878 -15.775 -12.047 1.00 67.44 ? 706 CYS B CB 1 ATOM 9511 S SG . CYS B 1 624 ? 45.586 -14.774 -10.566 1.00 112.10 ? 706 CYS B SG 1 ATOM 9512 N N . SER B 1 625 ? 44.658 -18.073 -14.120 1.00 78.24 ? 707 SER B N 1 ATOM 9513 C CA . SER B 1 625 ? 44.906 -18.980 -15.236 1.00 75.58 ? 707 SER B CA 1 ATOM 9514 C C . SER B 1 625 ? 44.071 -18.588 -16.450 1.00 78.31 ? 707 SER B C 1 ATOM 9515 O O . SER B 1 625 ? 44.385 -18.958 -17.582 1.00 74.41 ? 707 SER B O 1 ATOM 9516 C CB . SER B 1 625 ? 44.593 -20.423 -14.836 1.00 72.11 ? 707 SER B CB 1 ATOM 9517 O OG . SER B 1 625 ? 43.241 -20.556 -14.439 1.00 69.12 ? 707 SER B OG 1 ATOM 9518 N N . TYR B 1 626 ? 43.005 -17.833 -16.202 1.00 80.77 ? 708 TYR B N 1 ATOM 9519 C CA . TYR B 1 626 ? 42.138 -17.370 -17.273 1.00 77.82 ? 708 TYR B CA 1 ATOM 9520 C C . TYR B 1 626 ? 42.860 -16.328 -18.125 1.00 79.87 ? 708 TYR B C 1 ATOM 9521 O O . TYR B 1 626 ? 42.575 -16.194 -19.306 1.00 90.27 ? 708 TYR B O 1 ATOM 9522 C CB . TYR B 1 626 ? 40.840 -16.785 -16.707 1.00 74.86 ? 708 TYR B CB 1 ATOM 9523 C CG . TYR B 1 626 ? 39.875 -16.245 -17.739 1.00 76.09 ? 708 TYR B CG 1 ATOM 9524 C CD1 . TYR B 1 626 ? 39.924 -14.923 -18.157 1.00 75.05 ? 708 TYR B CD1 1 ATOM 9525 C CD2 . TYR B 1 626 ? 38.894 -17.067 -18.279 1.00 84.27 ? 708 TYR B CD2 1 ATOM 9526 C CE1 . TYR B 1 626 ? 39.031 -14.442 -19.098 1.00 81.00 ? 708 TYR B CE1 1 ATOM 9527 C CE2 . TYR B 1 626 ? 38.000 -16.596 -19.214 1.00 87.03 ? 708 TYR B CE2 1 ATOM 9528 C CZ . TYR B 1 626 ? 38.070 -15.285 -19.620 1.00 88.29 ? 708 TYR B CZ 1 ATOM 9529 O OH . TYR B 1 626 ? 37.173 -14.822 -20.554 1.00 96.48 ? 708 TYR B OH 1 ATOM 9530 N N . TYR B 1 627 ? 43.783 -15.583 -17.521 1.00 75.33 ? 709 TYR B N 1 ATOM 9531 C CA . TYR B 1 627 ? 44.491 -14.515 -18.231 1.00 76.23 ? 709 TYR B CA 1 ATOM 9532 C C . TYR B 1 627 ? 45.906 -14.921 -18.644 1.00 75.56 ? 709 TYR B C 1 ATOM 9533 O O . TYR B 1 627 ? 46.737 -15.259 -17.801 1.00 74.48 ? 709 TYR B O 1 ATOM 9534 C CB . TYR B 1 627 ? 44.532 -13.243 -17.381 1.00 77.72 ? 709 TYR B CB 1 ATOM 9535 C CG . TYR B 1 627 ? 43.173 -12.717 -16.985 1.00 79.02 ? 709 TYR B CG 1 ATOM 9536 C CD1 . TYR B 1 627 ? 42.517 -11.786 -17.779 1.00 79.02 ? 709 TYR B CD1 1 ATOM 9537 C CD2 . TYR B 1 627 ? 42.549 -13.142 -15.820 1.00 78.41 ? 709 TYR B CD2 1 ATOM 9538 C CE1 . TYR B 1 627 ? 41.276 -11.295 -17.428 1.00 76.29 ? 709 TYR B CE1 1 ATOM 9539 C CE2 . TYR B 1 627 ? 41.305 -12.656 -15.459 1.00 72.09 ? 709 TYR B CE2 1 ATOM 9540 C CZ . TYR B 1 627 ? 40.673 -11.733 -16.268 1.00 68.76 ? 709 TYR B CZ 1 ATOM 9541 O OH . TYR B 1 627 ? 39.436 -11.245 -15.915 1.00 59.49 ? 709 TYR B OH 1 ATOM 9542 N N . LYS B 1 628 ? 46.177 -14.883 -19.946 1.00 74.32 ? 710 LYS B N 1 ATOM 9543 C CA . LYS B 1 628 ? 47.504 -15.211 -20.461 1.00 72.00 ? 710 LYS B CA 1 ATOM 9544 C C . LYS B 1 628 ? 48.272 -13.941 -20.813 1.00 74.39 ? 710 LYS B C 1 ATOM 9545 O O . LYS B 1 628 ? 48.299 -13.521 -21.970 1.00 77.28 ? 710 LYS B O 1 ATOM 9546 C CB . LYS B 1 628 ? 47.401 -16.116 -21.690 1.00 59.80 ? 710 LYS B CB 1 ATOM 9547 N N . LEU B 1 633 ? 43.664 -8.224 -23.630 1.00 68.21 ? 715 LEU B N 1 ATOM 9548 C CA . LEU B 1 633 ? 42.672 -8.152 -22.565 1.00 67.30 ? 715 LEU B CA 1 ATOM 9549 C C . LEU B 1 633 ? 43.239 -8.755 -21.281 1.00 63.80 ? 715 LEU B C 1 ATOM 9550 O O . LEU B 1 633 ? 43.719 -9.888 -21.273 1.00 58.81 ? 715 LEU B O 1 ATOM 9551 C CB . LEU B 1 633 ? 41.374 -8.865 -22.985 1.00 62.36 ? 715 LEU B CB 1 ATOM 9552 C CG . LEU B 1 633 ? 40.092 -8.907 -22.129 1.00 52.30 ? 715 LEU B CG 1 ATOM 9553 C CD1 . LEU B 1 633 ? 40.196 -9.741 -20.847 1.00 49.49 ? 715 LEU B CD1 1 ATOM 9554 C CD2 . LEU B 1 633 ? 39.565 -7.500 -21.844 1.00 43.60 ? 715 LEU B CD2 1 ATOM 9555 N N . SER B 1 634 ? 43.178 -7.983 -20.200 1.00 62.03 ? 716 SER B N 1 ATOM 9556 C CA . SER B 1 634 ? 43.638 -8.448 -18.897 1.00 58.13 ? 716 SER B CA 1 ATOM 9557 C C . SER B 1 634 ? 42.733 -7.943 -17.780 1.00 61.94 ? 716 SER B C 1 ATOM 9558 O O . SER B 1 634 ? 41.601 -7.533 -18.021 1.00 64.13 ? 716 SER B O 1 ATOM 9559 C CB . SER B 1 634 ? 45.074 -7.991 -18.636 1.00 54.04 ? 716 SER B CB 1 ATOM 9560 O OG . SER B 1 634 ? 45.955 -8.476 -19.633 1.00 65.85 ? 716 SER B OG 1 ATOM 9561 N N . TYR B 1 635 ? 43.244 -7.984 -16.554 1.00 65.89 ? 717 TYR B N 1 ATOM 9562 C CA . TYR B 1 635 ? 42.528 -7.455 -15.401 1.00 64.34 ? 717 TYR B CA 1 ATOM 9563 C C . TYR B 1 635 ? 43.288 -6.279 -14.799 1.00 63.47 ? 717 TYR B C 1 ATOM 9564 O O . TYR B 1 635 ? 44.519 -6.270 -14.783 1.00 62.63 ? 717 TYR B O 1 ATOM 9565 C CB . TYR B 1 635 ? 42.301 -8.542 -14.348 1.00 68.75 ? 717 TYR B CB 1 ATOM 9566 C CG . TYR B 1 635 ? 43.578 -9.063 -13.725 1.00 68.61 ? 717 TYR B CG 1 ATOM 9567 C CD1 . TYR B 1 635 ? 44.328 -10.049 -14.353 1.00 61.09 ? 717 TYR B CD1 1 ATOM 9568 C CD2 . TYR B 1 635 ? 44.039 -8.562 -12.515 1.00 71.73 ? 717 TYR B CD2 1 ATOM 9569 C CE1 . TYR B 1 635 ? 45.498 -10.524 -13.790 1.00 61.76 ? 717 TYR B CE1 1 ATOM 9570 C CE2 . TYR B 1 635 ? 45.208 -9.030 -11.946 1.00 67.63 ? 717 TYR B CE2 1 ATOM 9571 C CZ . TYR B 1 635 ? 45.933 -10.011 -12.587 1.00 60.38 ? 717 TYR B CZ 1 ATOM 9572 O OH . TYR B 1 635 ? 47.097 -10.480 -12.024 1.00 52.88 ? 717 TYR B OH 1 ATOM 9573 N N . GLY B 1 636 ? 42.553 -5.288 -14.305 1.00 58.21 ? 718 GLY B N 1 ATOM 9574 C CA . GLY B 1 636 ? 43.163 -4.161 -13.622 1.00 46.66 ? 718 GLY B CA 1 ATOM 9575 C C . GLY B 1 636 ? 42.606 -4.001 -12.222 1.00 46.03 ? 718 GLY B C 1 ATOM 9576 O O . GLY B 1 636 ? 41.549 -4.544 -11.907 1.00 53.24 ? 718 GLY B O 1 ATOM 9577 N N . PHE B 1 637 ? 43.308 -3.250 -11.381 1.00 44.78 ? 719 PHE B N 1 ATOM 9578 C CA . PHE B 1 637 ? 42.835 -3.001 -10.025 1.00 41.93 ? 719 PHE B CA 1 ATOM 9579 C C . PHE B 1 637 ? 42.159 -1.635 -9.927 1.00 41.76 ? 719 PHE B C 1 ATOM 9580 O O . PHE B 1 637 ? 42.630 -0.660 -10.512 1.00 49.34 ? 719 PHE B O 1 ATOM 9581 C CB . PHE B 1 637 ? 43.988 -3.079 -9.024 1.00 45.97 ? 719 PHE B CB 1 ATOM 9582 C CG . PHE B 1 637 ? 44.715 -4.394 -9.039 1.00 41.36 ? 719 PHE B CG 1 ATOM 9583 C CD1 . PHE B 1 637 ? 44.210 -5.488 -8.357 1.00 42.27 ? 719 PHE B CD1 1 ATOM 9584 C CD2 . PHE B 1 637 ? 45.904 -4.536 -9.737 1.00 35.64 ? 719 PHE B CD2 1 ATOM 9585 C CE1 . PHE B 1 637 ? 44.877 -6.698 -8.368 1.00 45.32 ? 719 PHE B CE1 1 ATOM 9586 C CE2 . PHE B 1 637 ? 46.576 -5.746 -9.752 1.00 36.60 ? 719 PHE B CE2 1 ATOM 9587 C CZ . PHE B 1 637 ? 46.061 -6.828 -9.067 1.00 36.00 ? 719 PHE B CZ 1 ATOM 9588 N N . LEU B 1 638 ? 41.056 -1.568 -9.187 1.00 38.99 ? 720 LEU B N 1 ATOM 9589 C CA . LEU B 1 638 ? 40.399 -0.295 -8.912 1.00 44.69 ? 720 LEU B CA 1 ATOM 9590 C C . LEU B 1 638 ? 41.158 0.495 -7.853 1.00 51.27 ? 720 LEU B C 1 ATOM 9591 O O . LEU B 1 638 ? 41.288 1.715 -7.945 1.00 64.09 ? 720 LEU B O 1 ATOM 9592 C CB . LEU B 1 638 ? 38.957 -0.516 -8.456 1.00 40.98 ? 720 LEU B CB 1 ATOM 9593 C CG . LEU B 1 638 ? 37.978 -0.973 -9.539 1.00 35.91 ? 720 LEU B CG 1 ATOM 9594 C CD1 . LEU B 1 638 ? 36.562 -1.004 -8.995 1.00 39.33 ? 720 LEU B CD1 1 ATOM 9595 C CD2 . LEU B 1 638 ? 38.066 -0.072 -10.762 1.00 34.00 ? 720 LEU B CD2 1 ATOM 9596 N N . THR B 1 639 ? 41.657 -0.215 -6.846 1.00 42.86 ? 721 THR B N 1 ATOM 9597 C CA . THR B 1 639 ? 42.469 0.395 -5.803 1.00 43.26 ? 721 THR B CA 1 ATOM 9598 C C . THR B 1 639 ? 43.918 -0.018 -6.011 1.00 46.25 ? 721 THR B C 1 ATOM 9599 O O . THR B 1 639 ? 44.216 -1.210 -6.086 1.00 42.74 ? 721 THR B O 1 ATOM 9600 C CB . THR B 1 639 ? 42.004 -0.041 -4.402 1.00 41.27 ? 721 THR B CB 1 ATOM 9601 O OG1 . THR B 1 639 ? 40.624 0.304 -4.225 1.00 40.46 ? 721 THR B OG1 1 ATOM 9602 C CG2 . THR B 1 639 ? 42.837 0.640 -3.326 1.00 44.40 ? 721 THR B CG2 1 ATOM 9603 N N . PRO B 1 640 ? 44.824 0.967 -6.118 1.00 50.73 ? 722 PRO B N 1 ATOM 9604 C CA . PRO B 1 640 ? 46.240 0.652 -6.330 1.00 44.94 ? 722 PRO B CA 1 ATOM 9605 C C . PRO B 1 640 ? 46.808 -0.191 -5.197 1.00 49.11 ? 722 PRO B C 1 ATOM 9606 O O . PRO B 1 640 ? 46.627 0.150 -4.027 1.00 46.08 ? 722 PRO B O 1 ATOM 9607 C CB . PRO B 1 640 ? 46.908 2.032 -6.355 1.00 39.88 ? 722 PRO B CB 1 ATOM 9608 C CG . PRO B 1 640 ? 45.949 2.940 -5.653 1.00 32.71 ? 722 PRO B CG 1 ATOM 9609 C CD . PRO B 1 640 ? 44.592 2.414 -5.995 1.00 46.87 ? 722 PRO B CD 1 ATOM 9610 N N . PRO B 1 641 ? 47.493 -1.288 -5.546 1.00 56.58 ? 723 PRO B N 1 ATOM 9611 C CA . PRO B 1 641 ? 48.068 -2.220 -4.573 1.00 53.62 ? 723 PRO B CA 1 ATOM 9612 C C . PRO B 1 641 ? 49.333 -1.658 -3.943 1.00 55.65 ? 723 PRO B C 1 ATOM 9613 O O . PRO B 1 641 ? 49.800 -2.164 -2.924 1.00 64.01 ? 723 PRO B O 1 ATOM 9614 C CB . PRO B 1 641 ? 48.390 -3.450 -5.419 1.00 56.04 ? 723 PRO B CB 1 ATOM 9615 C CG . PRO B 1 641 ? 48.658 -2.898 -6.771 1.00 64.08 ? 723 PRO B CG 1 ATOM 9616 C CD . PRO B 1 641 ? 47.719 -1.733 -6.932 1.00 62.55 ? 723 PRO B CD 1 ATOM 9617 N N . ARG B 1 642 ? 49.872 -0.609 -4.554 1.00 52.63 ? 724 ARG B N 1 ATOM 9618 C CA . ARG B 1 642 ? 51.118 -0.008 -4.098 1.00 58.15 ? 724 ARG B CA 1 ATOM 9619 C C . ARG B 1 642 ? 50.890 0.950 -2.930 1.00 68.24 ? 724 ARG B C 1 ATOM 9620 O O . ARG B 1 642 ? 51.769 1.735 -2.575 1.00 76.41 ? 724 ARG B O 1 ATOM 9621 C CB . ARG B 1 642 ? 51.830 0.700 -5.253 1.00 55.13 ? 724 ARG B CB 1 ATOM 9622 C CG . ARG B 1 642 ? 52.194 -0.234 -6.400 1.00 57.33 ? 724 ARG B CG 1 ATOM 9623 C CD . ARG B 1 642 ? 53.655 -0.640 -6.381 1.00 59.59 ? 724 ARG B CD 1 ATOM 9624 N NE . ARG B 1 642 ? 54.495 0.337 -7.067 1.00 67.84 ? 724 ARG B NE 1 ATOM 9625 C CZ . ARG B 1 642 ? 55.813 0.229 -7.196 1.00 77.10 ? 724 ARG B CZ 1 ATOM 9626 N NH1 . ARG B 1 642 ? 56.447 -0.818 -6.687 1.00 82.06 ? 724 ARG B NH1 1 ATOM 9627 N NH2 . ARG B 1 642 ? 56.498 1.166 -7.838 1.00 74.51 ? 724 ARG B NH2 1 ATOM 9628 N N . LEU B 1 643 ? 49.701 0.874 -2.338 1.00 67.52 ? 725 LEU B N 1 ATOM 9629 C CA . LEU B 1 643 ? 49.346 1.710 -1.199 1.00 73.57 ? 725 LEU B CA 1 ATOM 9630 C C . LEU B 1 643 ? 50.032 1.234 0.074 1.00 95.22 ? 725 LEU B C 1 ATOM 9631 O O . LEU B 1 643 ? 50.130 0.030 0.317 1.00 100.14 ? 725 LEU B O 1 ATOM 9632 C CB . LEU B 1 643 ? 47.828 1.723 -1.009 1.00 72.12 ? 725 LEU B CB 1 ATOM 9633 C CG . LEU B 1 643 ? 47.284 2.997 -0.367 1.00 68.04 ? 725 LEU B CG 1 ATOM 9634 C CD1 . LEU B 1 643 ? 47.663 4.179 -1.223 1.00 63.26 ? 725 LEU B CD1 1 ATOM 9635 C CD2 . LEU B 1 643 ? 45.776 2.926 -0.190 1.00 57.20 ? 725 LEU B CD2 1 ATOM 9636 N N . ASN B 1 644 ? 50.481 2.186 0.888 1.00 104.25 ? 726 ASN B N 1 ATOM 9637 C CA . ASN B 1 644 ? 51.195 1.892 2.131 1.00 100.26 ? 726 ASN B CA 1 ATOM 9638 C C . ASN B 1 644 ? 52.322 0.866 1.999 1.00 96.83 ? 726 ASN B C 1 ATOM 9639 O O . ASN B 1 644 ? 52.147 -0.306 2.331 1.00 93.79 ? 726 ASN B O 1 ATOM 9640 C CB . ASN B 1 644 ? 50.223 1.495 3.247 1.00 96.49 ? 726 ASN B CB 1 ATOM 9641 N N . HIS B 1 649 ? 57.059 -3.056 2.226 1.00 57.29 ? 731 HIS B N 1 ATOM 9642 C CA . HIS B 1 649 ? 55.783 -3.743 2.394 1.00 71.97 ? 731 HIS B CA 1 ATOM 9643 C C . HIS B 1 649 ? 54.827 -3.421 1.248 1.00 75.75 ? 731 HIS B C 1 ATOM 9644 O O . HIS B 1 649 ? 55.064 -2.495 0.473 1.00 78.04 ? 731 HIS B O 1 ATOM 9645 C CB . HIS B 1 649 ? 55.156 -3.376 3.731 1.00 74.46 ? 731 HIS B CB 1 ATOM 9646 N N . ILE B 1 650 ? 53.749 -4.194 1.147 1.00 68.30 ? 732 ILE B N 1 ATOM 9647 C CA . ILE B 1 650 ? 52.737 -3.966 0.122 1.00 55.35 ? 732 ILE B CA 1 ATOM 9648 C C . ILE B 1 650 ? 51.372 -4.493 0.566 1.00 60.56 ? 732 ILE B C 1 ATOM 9649 O O . ILE B 1 650 ? 51.258 -5.613 1.065 1.00 52.08 ? 732 ILE B O 1 ATOM 9650 C CB . ILE B 1 650 ? 53.146 -4.599 -1.227 1.00 49.55 ? 732 ILE B CB 1 ATOM 9651 C CG1 . ILE B 1 650 ? 51.995 -4.523 -2.233 1.00 48.27 ? 732 ILE B CG1 1 ATOM 9652 C CG2 . ILE B 1 650 ? 53.595 -6.041 -1.032 1.00 55.29 ? 732 ILE B CG2 1 ATOM 9653 C CD1 . ILE B 1 650 ? 52.337 -5.100 -3.594 1.00 46.43 ? 732 ILE B CD1 1 ATOM 9654 N N . TYR B 1 651 ? 50.343 -3.666 0.398 1.00 73.04 ? 733 TYR B N 1 ATOM 9655 C CA . TYR B 1 651 ? 48.985 -4.029 0.788 1.00 82.53 ? 733 TYR B CA 1 ATOM 9656 C C . TYR B 1 651 ? 48.483 -5.215 -0.031 1.00 83.31 ? 733 TYR B C 1 ATOM 9657 O O . TYR B 1 651 ? 48.406 -5.143 -1.258 1.00 87.43 ? 733 TYR B O 1 ATOM 9658 C CB . TYR B 1 651 ? 48.050 -2.829 0.629 1.00 83.46 ? 733 TYR B CB 1 ATOM 9659 C CG . TYR B 1 651 ? 46.681 -3.027 1.236 1.00 81.07 ? 733 TYR B CG 1 ATOM 9660 C CD1 . TYR B 1 651 ? 46.537 -3.406 2.564 1.00 83.22 ? 733 TYR B CD1 1 ATOM 9661 C CD2 . TYR B 1 651 ? 45.532 -2.820 0.486 1.00 78.58 ? 733 TYR B CD2 1 ATOM 9662 C CE1 . TYR B 1 651 ? 45.286 -3.587 3.124 1.00 81.09 ? 733 TYR B CE1 1 ATOM 9663 C CE2 . TYR B 1 651 ? 44.277 -2.996 1.037 1.00 73.36 ? 733 TYR B CE2 1 ATOM 9664 C CZ . TYR B 1 651 ? 44.160 -3.375 2.357 1.00 70.82 ? 733 TYR B CZ 1 ATOM 9665 O OH . TYR B 1 651 ? 42.912 -3.551 2.909 1.00 60.14 ? 733 TYR B OH 1 ATOM 9666 N N . SER B 1 652 ? 48.140 -6.304 0.650 1.00 73.78 ? 734 SER B N 1 ATOM 9667 C CA . SER B 1 652 ? 47.768 -7.538 -0.035 1.00 63.17 ? 734 SER B CA 1 ATOM 9668 C C . SER B 1 652 ? 46.272 -7.634 -0.328 1.00 60.12 ? 734 SER B C 1 ATOM 9669 O O . SER B 1 652 ? 45.862 -8.321 -1.264 1.00 66.14 ? 734 SER B O 1 ATOM 9670 C CB . SER B 1 652 ? 48.223 -8.757 0.772 1.00 61.61 ? 734 SER B CB 1 ATOM 9671 O OG . SER B 1 652 ? 47.602 -8.788 2.046 1.00 65.86 ? 734 SER B OG 1 ATOM 9672 N N . GLU B 1 653 ? 45.458 -6.951 0.470 1.00 46.78 ? 735 GLU B N 1 ATOM 9673 C CA . GLU B 1 653 ? 44.010 -7.000 0.283 1.00 49.78 ? 735 GLU B CA 1 ATOM 9674 C C . GLU B 1 653 ? 43.569 -6.268 -0.983 1.00 50.61 ? 735 GLU B C 1 ATOM 9675 O O . GLU B 1 653 ? 42.428 -6.407 -1.424 1.00 55.01 ? 735 GLU B O 1 ATOM 9676 C CB . GLU B 1 653 ? 43.271 -6.445 1.502 1.00 52.57 ? 735 GLU B CB 1 ATOM 9677 C CG . GLU B 1 653 ? 43.299 -7.351 2.720 1.00 57.37 ? 735 GLU B CG 1 ATOM 9678 C CD . GLU B 1 653 ? 42.490 -6.795 3.874 1.00 58.72 ? 735 GLU B CD 1 ATOM 9679 O OE1 . GLU B 1 653 ? 42.240 -5.571 3.892 1.00 60.12 ? 735 GLU B OE1 1 ATOM 9680 O OE2 . GLU B 1 653 ? 42.103 -7.582 4.764 1.00 58.07 ? 735 GLU B OE2 1 ATOM 9681 N N . ALA B 1 654 ? 44.475 -5.484 -1.557 1.00 46.43 ? 736 ALA B N 1 ATOM 9682 C CA . ALA B 1 654 ? 44.218 -4.820 -2.828 1.00 43.02 ? 736 ALA B CA 1 ATOM 9683 C C . ALA B 1 654 ? 44.379 -5.813 -3.972 1.00 46.68 ? 736 ALA B C 1 ATOM 9684 O O . ALA B 1 654 ? 43.982 -5.544 -5.106 1.00 49.43 ? 736 ALA B O 1 ATOM 9685 C CB . ALA B 1 654 ? 45.158 -3.647 -3.009 1.00 43.67 ? 736 ALA B CB 1 ATOM 9686 N N . LEU B 1 655 ? 44.969 -6.961 -3.660 1.00 45.66 ? 737 LEU B N 1 ATOM 9687 C CA . LEU B 1 655 ? 45.150 -8.035 -4.629 1.00 37.26 ? 737 LEU B CA 1 ATOM 9688 C C . LEU B 1 655 ? 44.024 -9.059 -4.511 1.00 29.05 ? 737 LEU B C 1 ATOM 9689 O O . LEU B 1 655 ? 44.140 -10.184 -4.986 1.00 28.84 ? 737 LEU B O 1 ATOM 9690 C CB . LEU B 1 655 ? 46.509 -8.706 -4.426 1.00 48.36 ? 737 LEU B CB 1 ATOM 9691 C CG . LEU B 1 655 ? 47.710 -7.762 -4.532 1.00 50.58 ? 737 LEU B CG 1 ATOM 9692 C CD1 . LEU B 1 655 ? 49.018 -8.509 -4.318 1.00 53.62 ? 737 LEU B CD1 1 ATOM 9693 C CD2 . LEU B 1 655 ? 47.709 -7.043 -5.872 1.00 47.52 ? 737 LEU B CD2 1 ATOM 9694 N N . LEU B 1 656 ? 42.947 -8.661 -3.842 1.00 37.04 ? 738 LEU B N 1 ATOM 9695 C CA . LEU B 1 656 ? 41.751 -9.489 -3.712 1.00 48.91 ? 738 LEU B CA 1 ATOM 9696 C C . LEU B 1 656 ? 41.002 -9.604 -5.038 1.00 51.55 ? 738 LEU B C 1 ATOM 9697 O O . LEU B 1 656 ? 41.060 -8.704 -5.874 1.00 50.23 ? 738 LEU B O 1 ATOM 9698 C CB . LEU B 1 656 ? 40.824 -8.902 -2.649 1.00 59.40 ? 738 LEU B CB 1 ATOM 9699 C CG . LEU B 1 656 ? 40.701 -9.677 -1.337 1.00 67.48 ? 738 LEU B CG 1 ATOM 9700 C CD1 . LEU B 1 656 ? 42.072 -9.926 -0.729 1.00 71.19 ? 738 LEU B CD1 1 ATOM 9701 C CD2 . LEU B 1 656 ? 39.813 -8.919 -0.364 1.00 65.50 ? 738 LEU B CD2 1 ATOM 9702 N N . THR B 1 657 ? 40.311 -10.725 -5.229 1.00 53.40 ? 739 THR B N 1 ATOM 9703 C CA . THR B 1 657 ? 39.547 -10.966 -6.451 1.00 57.98 ? 739 THR B CA 1 ATOM 9704 C C . THR B 1 657 ? 38.448 -9.919 -6.627 1.00 57.35 ? 739 THR B C 1 ATOM 9705 O O . THR B 1 657 ? 38.008 -9.650 -7.744 1.00 50.97 ? 739 THR B O 1 ATOM 9706 C CB . THR B 1 657 ? 38.908 -12.369 -6.460 1.00 57.53 ? 739 THR B CB 1 ATOM 9707 O OG1 . THR B 1 657 ? 38.301 -12.636 -5.190 1.00 57.85 ? 739 THR B OG1 1 ATOM 9708 C CG2 . THR B 1 657 ? 39.957 -13.433 -6.744 1.00 55.76 ? 739 THR B CG2 1 ATOM 9709 N N . SER B 1 658 ? 37.979 -9.354 -5.519 1.00 60.55 ? 740 SER B N 1 ATOM 9710 C CA . SER B 1 658 ? 36.861 -8.419 -5.565 1.00 58.62 ? 740 SER B CA 1 ATOM 9711 C C . SER B 1 658 ? 37.340 -7.010 -5.915 1.00 56.76 ? 740 SER B C 1 ATOM 9712 O O . SER B 1 658 ? 36.564 -6.055 -5.878 1.00 56.50 ? 740 SER B O 1 ATOM 9713 C CB . SER B 1 658 ? 36.112 -8.404 -4.234 1.00 58.94 ? 740 SER B CB 1 ATOM 9714 O OG . SER B 1 658 ? 37.009 -8.240 -3.150 1.00 65.67 ? 740 SER B OG 1 ATOM 9715 N N . ASN B 1 659 ? 38.619 -6.889 -6.259 1.00 54.26 ? 741 ASN B N 1 ATOM 9716 C CA . ASN B 1 659 ? 39.193 -5.595 -6.603 1.00 53.03 ? 741 ASN B CA 1 ATOM 9717 C C . ASN B 1 659 ? 39.713 -5.554 -8.040 1.00 56.73 ? 741 ASN B C 1 ATOM 9718 O O . ASN B 1 659 ? 40.427 -4.630 -8.428 1.00 56.00 ? 741 ASN B O 1 ATOM 9719 C CB . ASN B 1 659 ? 40.315 -5.235 -5.623 1.00 56.88 ? 741 ASN B CB 1 ATOM 9720 C CG . ASN B 1 659 ? 40.720 -3.773 -5.701 1.00 61.17 ? 741 ASN B CG 1 ATOM 9721 O OD1 . ASN B 1 659 ? 39.928 -2.918 -6.102 1.00 71.66 ? 741 ASN B OD1 1 ATOM 9722 N ND2 . ASN B 1 659 ? 41.957 -3.479 -5.320 1.00 53.43 ? 741 ASN B ND2 1 ATOM 9723 N N . ILE B 1 660 ? 39.345 -6.553 -8.836 1.00 57.33 ? 742 ILE B N 1 ATOM 9724 C CA . ILE B 1 660 ? 39.786 -6.588 -10.226 1.00 53.62 ? 742 ILE B CA 1 ATOM 9725 C C . ILE B 1 660 ? 38.652 -6.343 -11.212 1.00 51.60 ? 742 ILE B C 1 ATOM 9726 O O . ILE B 1 660 ? 37.505 -6.719 -10.971 1.00 50.20 ? 742 ILE B O 1 ATOM 9727 C CB . ILE B 1 660 ? 40.508 -7.913 -10.577 1.00 54.24 ? 742 ILE B CB 1 ATOM 9728 C CG1 . ILE B 1 660 ? 39.618 -9.124 -10.284 1.00 56.89 ? 742 ILE B CG1 1 ATOM 9729 C CG2 . ILE B 1 660 ? 41.794 -8.028 -9.789 1.00 58.18 ? 742 ILE B CG2 1 ATOM 9730 C CD1 . ILE B 1 660 ? 38.858 -9.654 -11.485 1.00 63.11 ? 742 ILE B CD1 1 ATOM 9731 N N . VAL B 1 661 ? 38.995 -5.701 -12.324 1.00 43.30 ? 743 VAL B N 1 ATOM 9732 C CA . VAL B 1 661 ? 38.053 -5.434 -13.401 1.00 42.00 ? 743 VAL B CA 1 ATOM 9733 C C . VAL B 1 661 ? 38.733 -5.719 -14.737 1.00 47.51 ? 743 VAL B C 1 ATOM 9734 O O . VAL B 1 661 ? 39.942 -5.523 -14.869 1.00 48.46 ? 743 VAL B O 1 ATOM 9735 C CB . VAL B 1 661 ? 37.555 -3.971 -13.367 1.00 38.00 ? 743 VAL B CB 1 ATOM 9736 C CG1 . VAL B 1 661 ? 36.576 -3.763 -12.220 1.00 31.78 ? 743 VAL B CG1 1 ATOM 9737 C CG2 . VAL B 1 661 ? 38.727 -3.007 -13.258 1.00 35.18 ? 743 VAL B CG2 1 ATOM 9738 N N . PRO B 1 662 ? 37.963 -6.196 -15.728 1.00 45.57 ? 744 PRO B N 1 ATOM 9739 C CA . PRO B 1 662 ? 38.525 -6.463 -17.057 1.00 39.44 ? 744 PRO B CA 1 ATOM 9740 C C . PRO B 1 662 ? 39.096 -5.192 -17.679 1.00 38.32 ? 744 PRO B C 1 ATOM 9741 O O . PRO B 1 662 ? 38.444 -4.148 -17.656 1.00 49.72 ? 744 PRO B O 1 ATOM 9742 C CB . PRO B 1 662 ? 37.316 -6.963 -17.859 1.00 37.20 ? 744 PRO B CB 1 ATOM 9743 C CG . PRO B 1 662 ? 36.117 -6.496 -17.094 1.00 37.75 ? 744 PRO B CG 1 ATOM 9744 C CD . PRO B 1 662 ? 36.530 -6.526 -15.660 1.00 41.88 ? 744 PRO B CD 1 HETATM 9745 N N . MSE B 1 663 ? 40.306 -5.283 -18.220 1.00 34.37 ? 745 MSE B N 1 HETATM 9746 C CA . MSE B 1 663 ? 40.996 -4.106 -18.731 1.00 42.09 ? 745 MSE B CA 1 HETATM 9747 C C . MSE B 1 663 ? 41.903 -4.440 -19.915 1.00 51.79 ? 745 MSE B C 1 HETATM 9748 O O . MSE B 1 663 ? 42.558 -5.482 -19.936 1.00 51.03 ? 745 MSE B O 1 HETATM 9749 C CB . MSE B 1 663 ? 41.802 -3.448 -17.607 1.00 44.17 ? 745 MSE B CB 1 HETATM 9750 C CG . MSE B 1 663 ? 42.476 -2.141 -17.990 1.00 55.47 ? 745 MSE B CG 1 HETATM 9751 SE SE . MSE B 1 663 ? 43.196 -1.196 -16.441 1.00 85.93 ? 745 MSE B SE 1 HETATM 9752 C CE . MSE B 1 663 ? 41.516 -0.802 -15.526 1.00 19.92 ? 745 MSE B CE 1 ATOM 9753 N N . TYR B 1 664 ? 41.924 -3.550 -20.903 1.00 51.81 ? 746 TYR B N 1 ATOM 9754 C CA . TYR B 1 664 ? 42.796 -3.699 -22.060 1.00 42.24 ? 746 TYR B CA 1 ATOM 9755 C C . TYR B 1 664 ? 44.225 -3.347 -21.668 1.00 40.26 ? 746 TYR B C 1 ATOM 9756 O O . TYR B 1 664 ? 44.442 -2.534 -20.770 1.00 40.22 ? 746 TYR B O 1 ATOM 9757 C CB . TYR B 1 664 ? 42.336 -2.792 -23.202 1.00 49.90 ? 746 TYR B CB 1 ATOM 9758 C CG . TYR B 1 664 ? 41.038 -3.217 -23.851 1.00 59.16 ? 746 TYR B CG 1 ATOM 9759 C CD1 . TYR B 1 664 ? 40.826 -4.535 -24.229 1.00 64.94 ? 746 TYR B CD1 1 ATOM 9760 C CD2 . TYR B 1 664 ? 40.025 -2.297 -24.086 1.00 59.43 ? 746 TYR B CD2 1 ATOM 9761 C CE1 . TYR B 1 664 ? 39.640 -4.925 -24.825 1.00 65.33 ? 746 TYR B CE1 1 ATOM 9762 C CE2 . TYR B 1 664 ? 38.837 -2.677 -24.681 1.00 61.04 ? 746 TYR B CE2 1 ATOM 9763 C CZ . TYR B 1 664 ? 38.650 -3.991 -25.048 1.00 64.60 ? 746 TYR B CZ 1 ATOM 9764 O OH . TYR B 1 664 ? 37.468 -4.374 -25.639 1.00 69.62 ? 746 TYR B OH 1 ATOM 9765 N N . GLN B 1 665 ? 45.196 -3.949 -22.347 1.00 42.92 ? 747 GLN B N 1 ATOM 9766 C CA . GLN B 1 665 ? 46.601 -3.687 -22.052 1.00 43.32 ? 747 GLN B CA 1 ATOM 9767 C C . GLN B 1 665 ? 47.006 -2.260 -22.413 1.00 44.93 ? 747 GLN B C 1 ATOM 9768 O O . GLN B 1 665 ? 47.878 -1.674 -21.770 1.00 44.75 ? 747 GLN B O 1 ATOM 9769 C CB . GLN B 1 665 ? 47.496 -4.686 -22.789 1.00 36.19 ? 747 GLN B CB 1 ATOM 9770 N N . SER B 1 666 ? 46.376 -1.707 -23.444 1.00 50.08 ? 748 SER B N 1 ATOM 9771 C CA . SER B 1 666 ? 46.681 -0.347 -23.873 1.00 56.87 ? 748 SER B CA 1 ATOM 9772 C C . SER B 1 666 ? 46.187 0.664 -22.844 1.00 58.46 ? 748 SER B C 1 ATOM 9773 O O . SER B 1 666 ? 46.790 1.721 -22.654 1.00 56.91 ? 748 SER B O 1 ATOM 9774 C CB . SER B 1 666 ? 46.055 -0.057 -25.237 1.00 59.99 ? 748 SER B CB 1 ATOM 9775 O OG . SER B 1 666 ? 44.641 -0.076 -25.158 1.00 62.29 ? 748 SER B OG 1 ATOM 9776 N N . PHE B 1 667 ? 45.081 0.332 -22.184 1.00 53.48 ? 749 PHE B N 1 ATOM 9777 C CA . PHE B 1 667 ? 44.517 1.196 -21.154 1.00 45.31 ? 749 PHE B CA 1 ATOM 9778 C C . PHE B 1 667 ? 45.286 1.058 -19.846 1.00 39.75 ? 749 PHE B C 1 ATOM 9779 O O . PHE B 1 667 ? 45.317 1.984 -19.036 1.00 43.33 ? 749 PHE B O 1 ATOM 9780 C CB . PHE B 1 667 ? 43.037 0.884 -20.927 1.00 48.24 ? 749 PHE B CB 1 ATOM 9781 C CG . PHE B 1 667 ? 42.371 1.817 -19.955 1.00 51.41 ? 749 PHE B CG 1 ATOM 9782 C CD1 . PHE B 1 667 ? 41.890 3.047 -20.374 1.00 50.33 ? 749 PHE B CD1 1 ATOM 9783 C CD2 . PHE B 1 667 ? 42.229 1.467 -18.622 1.00 48.14 ? 749 PHE B CD2 1 ATOM 9784 C CE1 . PHE B 1 667 ? 41.282 3.910 -19.482 1.00 42.21 ? 749 PHE B CE1 1 ATOM 9785 C CE2 . PHE B 1 667 ? 41.622 2.325 -17.725 1.00 40.76 ? 749 PHE B CE2 1 ATOM 9786 C CZ . PHE B 1 667 ? 41.147 3.548 -18.156 1.00 37.92 ? 749 PHE B CZ 1 ATOM 9787 N N . GLN B 1 668 ? 45.906 -0.102 -19.643 1.00 35.12 ? 750 GLN B N 1 ATOM 9788 C CA . GLN B 1 668 ? 46.709 -0.343 -18.447 1.00 47.01 ? 750 GLN B CA 1 ATOM 9789 C C . GLN B 1 668 ? 47.901 0.608 -18.411 1.00 57.89 ? 750 GLN B C 1 ATOM 9790 O O . GLN B 1 668 ? 48.451 0.896 -17.349 1.00 60.45 ? 750 GLN B O 1 ATOM 9791 C CB . GLN B 1 668 ? 47.176 -1.800 -18.386 1.00 44.91 ? 750 GLN B CB 1 ATOM 9792 C CG . GLN B 1 668 ? 46.071 -2.799 -18.073 1.00 54.56 ? 750 GLN B CG 1 ATOM 9793 C CD . GLN B 1 668 ? 46.563 -4.233 -18.058 1.00 62.78 ? 750 GLN B CD 1 ATOM 9794 O OE1 . GLN B 1 668 ? 47.414 -4.617 -18.860 1.00 66.37 ? 750 GLN B OE1 1 ATOM 9795 N NE2 . GLN B 1 668 ? 46.022 -5.036 -17.148 1.00 65.26 ? 750 GLN B NE2 1 ATOM 9796 N N . VAL B 1 669 ? 48.296 1.084 -19.587 1.00 53.00 ? 751 VAL B N 1 ATOM 9797 C CA . VAL B 1 669 ? 49.362 2.066 -19.710 1.00 47.20 ? 751 VAL B CA 1 ATOM 9798 C C . VAL B 1 669 ? 48.927 3.383 -19.074 1.00 51.17 ? 751 VAL B C 1 ATOM 9799 O O . VAL B 1 669 ? 49.720 4.074 -18.436 1.00 62.52 ? 751 VAL B O 1 ATOM 9800 C CB . VAL B 1 669 ? 49.717 2.312 -21.186 1.00 47.68 ? 751 VAL B CB 1 ATOM 9801 C CG1 . VAL B 1 669 ? 50.912 3.245 -21.301 1.00 48.42 ? 751 VAL B CG1 1 ATOM 9802 C CG2 . VAL B 1 669 ? 49.998 0.988 -21.887 1.00 49.48 ? 751 VAL B CG2 1 ATOM 9803 N N . ILE B 1 670 ? 47.652 3.715 -19.254 1.00 45.72 ? 752 ILE B N 1 ATOM 9804 C CA . ILE B 1 670 ? 47.079 4.950 -18.730 1.00 42.52 ? 752 ILE B CA 1 ATOM 9805 C C . ILE B 1 670 ? 46.711 4.821 -17.256 1.00 39.87 ? 752 ILE B C 1 ATOM 9806 O O . ILE B 1 670 ? 46.890 5.754 -16.474 1.00 40.21 ? 752 ILE B O 1 ATOM 9807 C CB . ILE B 1 670 ? 45.805 5.339 -19.510 1.00 42.93 ? 752 ILE B CB 1 ATOM 9808 C CG1 . ILE B 1 670 ? 46.052 5.268 -21.019 1.00 38.98 ? 752 ILE B CG1 1 ATOM 9809 C CG2 . ILE B 1 670 ? 45.302 6.717 -19.082 1.00 44.41 ? 752 ILE B CG2 1 ATOM 9810 C CD1 . ILE B 1 670 ? 44.791 5.377 -21.841 1.00 32.55 ? 752 ILE B CD1 1 ATOM 9811 N N . TRP B 1 671 ? 46.209 3.650 -16.885 1.00 45.57 ? 753 TRP B N 1 ATOM 9812 C CA . TRP B 1 671 ? 45.693 3.416 -15.543 1.00 43.68 ? 753 TRP B CA 1 ATOM 9813 C C . TRP B 1 671 ? 46.836 3.376 -14.531 1.00 50.69 ? 753 TRP B C 1 ATOM 9814 O O . TRP B 1 671 ? 46.684 3.814 -13.390 1.00 58.25 ? 753 TRP B O 1 ATOM 9815 C CB . TRP B 1 671 ? 44.883 2.115 -15.511 1.00 38.49 ? 753 TRP B CB 1 ATOM 9816 C CG . TRP B 1 671 ? 44.068 1.929 -14.266 1.00 40.35 ? 753 TRP B CG 1 ATOM 9817 C CD1 . TRP B 1 671 ? 44.284 1.024 -13.266 1.00 43.86 ? 753 TRP B CD1 1 ATOM 9818 C CD2 . TRP B 1 671 ? 42.884 2.651 -13.904 1.00 43.32 ? 753 TRP B CD2 1 ATOM 9819 N NE1 . TRP B 1 671 ? 43.316 1.150 -12.297 1.00 43.56 ? 753 TRP B NE1 1 ATOM 9820 C CE2 . TRP B 1 671 ? 42.444 2.141 -12.666 1.00 41.37 ? 753 TRP B CE2 1 ATOM 9821 C CE3 . TRP B 1 671 ? 42.158 3.685 -14.504 1.00 45.83 ? 753 TRP B CE3 1 ATOM 9822 C CZ2 . TRP B 1 671 ? 41.310 2.630 -12.019 1.00 44.23 ? 753 TRP B CZ2 1 ATOM 9823 C CZ3 . TRP B 1 671 ? 41.033 4.170 -13.860 1.00 41.81 ? 753 TRP B CZ3 1 ATOM 9824 C CH2 . TRP B 1 671 ? 40.620 3.642 -12.630 1.00 45.55 ? 753 TRP B CH2 1 ATOM 9825 N N . HIS B 1 672 ? 47.978 2.843 -14.955 1.00 55.81 ? 754 HIS B N 1 ATOM 9826 C CA . HIS B 1 672 ? 49.153 2.739 -14.092 1.00 65.27 ? 754 HIS B CA 1 ATOM 9827 C C . HIS B 1 672 ? 49.825 4.093 -13.880 1.00 66.13 ? 754 HIS B C 1 ATOM 9828 O O . HIS B 1 672 ? 50.222 4.421 -12.763 1.00 74.76 ? 754 HIS B O 1 ATOM 9829 C CB . HIS B 1 672 ? 50.153 1.725 -14.657 1.00 72.81 ? 754 HIS B CB 1 ATOM 9830 C CG . HIS B 1 672 ? 49.718 0.299 -14.508 1.00 81.15 ? 754 HIS B CG 1 ATOM 9831 N ND1 . HIS B 1 672 ? 50.261 -0.728 -15.249 1.00 79.45 ? 754 HIS B ND1 1 ATOM 9832 C CD2 . HIS B 1 672 ? 48.793 -0.270 -13.698 1.00 82.84 ? 754 HIS B CD2 1 ATOM 9833 C CE1 . HIS B 1 672 ? 49.689 -1.868 -14.905 1.00 76.87 ? 754 HIS B CE1 1 ATOM 9834 N NE2 . HIS B 1 672 ? 48.794 -1.618 -13.966 1.00 78.68 ? 754 HIS B NE2 1 ATOM 9835 N N . TYR B 1 673 ? 49.953 4.875 -14.948 1.00 56.92 ? 755 TYR B N 1 ATOM 9836 C CA . TYR B 1 673 ? 50.552 6.204 -14.846 1.00 47.86 ? 755 TYR B CA 1 ATOM 9837 C C . TYR B 1 673 ? 49.687 7.125 -13.996 1.00 43.69 ? 755 TYR B C 1 ATOM 9838 O O . TYR B 1 673 ? 50.188 8.051 -13.358 1.00 43.88 ? 755 TYR B O 1 ATOM 9839 C CB . TYR B 1 673 ? 50.761 6.816 -16.235 1.00 48.98 ? 755 TYR B CB 1 ATOM 9840 C CG . TYR B 1 673 ? 51.403 8.187 -16.199 1.00 51.92 ? 755 TYR B CG 1 ATOM 9841 C CD1 . TYR B 1 673 ? 50.625 9.337 -16.240 1.00 48.11 ? 755 TYR B CD1 1 ATOM 9842 C CD2 . TYR B 1 673 ? 52.782 8.332 -16.113 1.00 56.73 ? 755 TYR B CD2 1 ATOM 9843 C CE1 . TYR B 1 673 ? 51.198 10.592 -16.202 1.00 50.03 ? 755 TYR B CE1 1 ATOM 9844 C CE2 . TYR B 1 673 ? 53.367 9.587 -16.076 1.00 58.02 ? 755 TYR B CE2 1 ATOM 9845 C CZ . TYR B 1 673 ? 52.568 10.713 -16.119 1.00 56.09 ? 755 TYR B CZ 1 ATOM 9846 O OH . TYR B 1 673 ? 53.138 11.965 -16.081 1.00 53.55 ? 755 TYR B OH 1 ATOM 9847 N N . LEU B 1 674 ? 48.386 6.863 -13.996 1.00 40.86 ? 756 LEU B N 1 ATOM 9848 C CA . LEU B 1 674 ? 47.442 7.652 -13.220 1.00 40.56 ? 756 LEU B CA 1 ATOM 9849 C C . LEU B 1 674 ? 47.677 7.460 -11.726 1.00 49.72 ? 756 LEU B C 1 ATOM 9850 O O . LEU B 1 674 ? 47.488 8.385 -10.937 1.00 60.24 ? 756 LEU B O 1 ATOM 9851 C CB . LEU B 1 674 ? 46.004 7.267 -13.580 1.00 32.66 ? 756 LEU B CB 1 ATOM 9852 C CG . LEU B 1 674 ? 44.873 7.978 -12.837 1.00 27.87 ? 756 LEU B CG 1 ATOM 9853 C CD1 . LEU B 1 674 ? 44.903 9.470 -13.117 1.00 20.21 ? 756 LEU B CD1 1 ATOM 9854 C CD2 . LEU B 1 674 ? 43.525 7.384 -13.220 1.00 27.90 ? 756 LEU B CD2 1 ATOM 9855 N N . HIS B 1 675 ? 48.099 6.259 -11.344 1.00 36.05 ? 757 HIS B N 1 ATOM 9856 C CA . HIS B 1 675 ? 48.268 5.925 -9.935 1.00 29.98 ? 757 HIS B CA 1 ATOM 9857 C C . HIS B 1 675 ? 49.723 5.985 -9.471 1.00 47.14 ? 757 HIS B C 1 ATOM 9858 O O . HIS B 1 675 ? 49.997 6.334 -8.323 1.00 58.61 ? 757 HIS B O 1 ATOM 9859 C CB . HIS B 1 675 ? 47.682 4.543 -9.645 1.00 29.95 ? 757 HIS B CB 1 ATOM 9860 C CG . HIS B 1 675 ? 46.202 4.459 -9.855 1.00 37.42 ? 757 HIS B CG 1 ATOM 9861 N ND1 . HIS B 1 675 ? 45.616 4.628 -11.090 1.00 36.09 ? 757 HIS B ND1 1 ATOM 9862 C CD2 . HIS B 1 675 ? 45.190 4.222 -8.988 1.00 47.74 ? 757 HIS B CD2 1 ATOM 9863 C CE1 . HIS B 1 675 ? 44.306 4.499 -10.975 1.00 44.38 ? 757 HIS B CE1 1 ATOM 9864 N NE2 . HIS B 1 675 ? 44.022 4.252 -9.709 1.00 49.13 ? 757 HIS B NE2 1 ATOM 9865 N N . ASP B 1 676 ? 50.651 5.642 -10.359 1.00 46.65 ? 758 ASP B N 1 ATOM 9866 C CA . ASP B 1 676 ? 52.068 5.610 -10.004 1.00 47.95 ? 758 ASP B CA 1 ATOM 9867 C C . ASP B 1 676 ? 52.694 6.998 -10.024 1.00 46.00 ? 758 ASP B C 1 ATOM 9868 O O . ASP B 1 676 ? 53.637 7.276 -9.283 1.00 55.26 ? 758 ASP B O 1 ATOM 9869 C CB . ASP B 1 676 ? 52.843 4.669 -10.929 1.00 56.16 ? 758 ASP B CB 1 ATOM 9870 C CG . ASP B 1 676 ? 52.425 3.220 -10.771 1.00 67.26 ? 758 ASP B CG 1 ATOM 9871 O OD1 . ASP B 1 676 ? 51.607 2.929 -9.872 1.00 61.66 ? 758 ASP B OD1 1 ATOM 9872 O OD2 . ASP B 1 676 ? 52.909 2.374 -11.552 1.00 73.24 ? 758 ASP B OD2 1 ATOM 9873 N N . THR B 1 677 ? 52.162 7.866 -10.879 1.00 43.50 ? 759 THR B N 1 ATOM 9874 C CA . THR B 1 677 ? 52.714 9.202 -11.068 1.00 46.44 ? 759 THR B CA 1 ATOM 9875 C C . THR B 1 677 ? 51.741 10.305 -10.661 1.00 43.65 ? 759 THR B C 1 ATOM 9876 O O . THR B 1 677 ? 52.027 11.098 -9.764 1.00 51.53 ? 759 THR B O 1 ATOM 9877 C CB . THR B 1 677 ? 53.145 9.432 -12.529 1.00 49.28 ? 759 THR B CB 1 ATOM 9878 O OG1 . THR B 1 677 ? 54.028 8.382 -12.941 1.00 52.61 ? 759 THR B OG1 1 ATOM 9879 C CG2 . THR B 1 677 ? 53.856 10.770 -12.668 1.00 50.42 ? 759 THR B CG2 1 ATOM 9880 N N . LEU B 1 678 ? 50.594 10.350 -11.332 1.00 43.65 ? 760 LEU B N 1 ATOM 9881 C CA . LEU B 1 678 ? 49.621 11.421 -11.137 1.00 47.54 ? 760 LEU B CA 1 ATOM 9882 C C . LEU B 1 678 ? 49.015 11.443 -9.735 1.00 44.98 ? 760 LEU B C 1 ATOM 9883 O O . LEU B 1 678 ? 48.926 12.501 -9.112 1.00 38.00 ? 760 LEU B O 1 ATOM 9884 C CB . LEU B 1 678 ? 48.509 11.338 -12.186 1.00 55.49 ? 760 LEU B CB 1 ATOM 9885 C CG . LEU B 1 678 ? 48.773 12.069 -13.505 1.00 63.41 ? 760 LEU B CG 1 ATOM 9886 C CD1 . LEU B 1 678 ? 47.496 12.166 -14.325 1.00 62.12 ? 760 LEU B CD1 1 ATOM 9887 C CD2 . LEU B 1 678 ? 49.357 13.450 -13.251 1.00 68.98 ? 760 LEU B CD2 1 ATOM 9888 N N . LEU B 1 679 ? 48.588 10.281 -9.250 1.00 47.91 ? 761 LEU B N 1 ATOM 9889 C CA . LEU B 1 679 ? 47.900 10.197 -7.963 1.00 46.37 ? 761 LEU B CA 1 ATOM 9890 C C . LEU B 1 679 ? 48.784 10.656 -6.810 1.00 46.74 ? 761 LEU B C 1 ATOM 9891 O O . LEU B 1 679 ? 48.310 11.287 -5.868 1.00 46.62 ? 761 LEU B O 1 ATOM 9892 C CB . LEU B 1 679 ? 47.405 8.772 -7.710 1.00 54.42 ? 761 LEU B CB 1 ATOM 9893 C CG . LEU B 1 679 ? 45.936 8.617 -7.313 1.00 56.30 ? 761 LEU B CG 1 ATOM 9894 C CD1 . LEU B 1 679 ? 45.015 9.214 -8.367 1.00 46.19 ? 761 LEU B CD1 1 ATOM 9895 C CD2 . LEU B 1 679 ? 45.604 7.154 -7.068 1.00 59.73 ? 761 LEU B CD2 1 ATOM 9896 N N . GLN B 1 680 ? 50.069 10.330 -6.892 1.00 56.36 ? 762 GLN B N 1 ATOM 9897 C CA . GLN B 1 680 ? 51.019 10.706 -5.853 1.00 54.04 ? 762 GLN B CA 1 ATOM 9898 C C . GLN B 1 680 ? 51.344 12.198 -5.875 1.00 53.43 ? 762 GLN B C 1 ATOM 9899 O O . GLN B 1 680 ? 51.552 12.809 -4.827 1.00 62.30 ? 762 GLN B O 1 ATOM 9900 C CB . GLN B 1 680 ? 52.304 9.886 -5.987 1.00 51.11 ? 762 GLN B CB 1 ATOM 9901 C CG . GLN B 1 680 ? 52.102 8.394 -5.761 1.00 57.38 ? 762 GLN B CG 1 ATOM 9902 C CD . GLN B 1 680 ? 53.395 7.606 -5.824 1.00 64.32 ? 762 GLN B CD 1 ATOM 9903 O OE1 . GLN B 1 680 ? 54.475 8.172 -5.992 1.00 67.86 ? 762 GLN B OE1 1 ATOM 9904 N NE2 . GLN B 1 680 ? 53.291 6.288 -5.690 1.00 62.20 ? 762 GLN B NE2 1 ATOM 9905 N N . ARG B 1 681 ? 51.394 12.779 -7.069 1.00 44.47 ? 763 ARG B N 1 ATOM 9906 C CA . ARG B 1 681 ? 51.675 14.204 -7.213 1.00 44.26 ? 763 ARG B CA 1 ATOM 9907 C C . ARG B 1 681 ? 50.532 15.063 -6.678 1.00 46.66 ? 763 ARG B C 1 ATOM 9908 O O . ARG B 1 681 ? 50.758 16.100 -6.055 1.00 47.59 ? 763 ARG B O 1 ATOM 9909 C CB . ARG B 1 681 ? 51.937 14.562 -8.675 1.00 43.96 ? 763 ARG B CB 1 ATOM 9910 C CG . ARG B 1 681 ? 52.521 15.954 -8.860 1.00 47.48 ? 763 ARG B CG 1 ATOM 9911 C CD . ARG B 1 681 ? 52.143 16.537 -10.207 1.00 52.05 ? 763 ARG B CD 1 ATOM 9912 N NE . ARG B 1 681 ? 52.691 15.770 -11.320 1.00 60.60 ? 763 ARG B NE 1 ATOM 9913 C CZ . ARG B 1 681 ? 52.349 15.960 -12.589 1.00 70.17 ? 763 ARG B CZ 1 ATOM 9914 N NH1 . ARG B 1 681 ? 52.894 15.219 -13.544 1.00 77.88 ? 763 ARG B NH1 1 ATOM 9915 N NH2 . ARG B 1 681 ? 51.457 16.891 -12.902 1.00 65.77 ? 763 ARG B NH2 1 ATOM 9916 N N . TYR B 1 682 ? 49.304 14.620 -6.928 1.00 44.40 ? 764 TYR B N 1 ATOM 9917 C CA . TYR B 1 682 ? 48.113 15.342 -6.495 1.00 49.27 ? 764 TYR B CA 1 ATOM 9918 C C . TYR B 1 682 ? 47.955 15.338 -4.978 1.00 54.59 ? 764 TYR B C 1 ATOM 9919 O O . TYR B 1 682 ? 47.345 16.241 -4.411 1.00 62.06 ? 764 TYR B O 1 ATOM 9920 C CB . TYR B 1 682 ? 46.863 14.754 -7.158 1.00 54.83 ? 764 TYR B CB 1 ATOM 9921 C CG . TYR B 1 682 ? 46.836 14.928 -8.662 1.00 58.50 ? 764 TYR B CG 1 ATOM 9922 C CD1 . TYR B 1 682 ? 47.566 15.940 -9.275 1.00 54.38 ? 764 TYR B CD1 1 ATOM 9923 C CD2 . TYR B 1 682 ? 46.077 14.088 -9.469 1.00 56.81 ? 764 TYR B CD2 1 ATOM 9924 C CE1 . TYR B 1 682 ? 47.545 16.108 -10.647 1.00 48.07 ? 764 TYR B CE1 1 ATOM 9925 C CE2 . TYR B 1 682 ? 46.049 14.249 -10.844 1.00 48.58 ? 764 TYR B CE2 1 ATOM 9926 C CZ . TYR B 1 682 ? 46.785 15.262 -11.426 1.00 43.88 ? 764 TYR B CZ 1 ATOM 9927 O OH . TYR B 1 682 ? 46.764 15.431 -12.792 1.00 40.31 ? 764 TYR B OH 1 ATOM 9928 N N . ALA B 1 683 ? 48.502 14.319 -4.324 1.00 52.65 ? 765 ALA B N 1 ATOM 9929 C CA . ALA B 1 683 ? 48.442 14.233 -2.868 1.00 43.51 ? 765 ALA B CA 1 ATOM 9930 C C . ALA B 1 683 ? 49.343 15.256 -2.194 1.00 46.05 ? 765 ALA B C 1 ATOM 9931 O O . ALA B 1 683 ? 49.089 15.663 -1.062 1.00 59.54 ? 765 ALA B O 1 ATOM 9932 C CB . ALA B 1 683 ? 48.806 12.857 -2.407 1.00 33.54 ? 765 ALA B CB 1 ATOM 9933 N N . HIS B 1 684 ? 50.401 15.666 -2.884 1.00 39.09 ? 766 HIS B N 1 ATOM 9934 C CA . HIS B 1 684 ? 51.302 16.672 -2.340 1.00 52.39 ? 766 HIS B CA 1 ATOM 9935 C C . HIS B 1 684 ? 50.719 18.058 -2.590 1.00 45.57 ? 766 HIS B C 1 ATOM 9936 O O . HIS B 1 684 ? 50.777 18.935 -1.727 1.00 51.69 ? 766 HIS B O 1 ATOM 9937 C CB . HIS B 1 684 ? 52.698 16.558 -2.957 1.00 68.99 ? 766 HIS B CB 1 ATOM 9938 C CG . HIS B 1 684 ? 53.537 15.469 -2.363 1.00 88.20 ? 766 HIS B CG 1 ATOM 9939 N ND1 . HIS B 1 684 ? 53.295 14.132 -2.598 1.00 96.94 ? 766 HIS B ND1 1 ATOM 9940 C CD2 . HIS B 1 684 ? 54.617 15.517 -1.548 1.00 95.09 ? 766 HIS B CD2 1 ATOM 9941 C CE1 . HIS B 1 684 ? 54.187 13.404 -1.951 1.00 102.51 ? 766 HIS B CE1 1 ATOM 9942 N NE2 . HIS B 1 684 ? 55.001 14.220 -1.306 1.00 104.01 ? 766 HIS B NE2 1 ATOM 9943 N N . GLU B 1 685 ? 50.161 18.242 -3.781 1.00 39.93 ? 767 GLU B N 1 ATOM 9944 C CA . GLU B 1 685 ? 49.582 19.517 -4.186 1.00 45.17 ? 767 GLU B CA 1 ATOM 9945 C C . GLU B 1 685 ? 48.286 19.828 -3.439 1.00 46.85 ? 767 GLU B C 1 ATOM 9946 O O . GLU B 1 685 ? 48.018 20.982 -3.106 1.00 53.89 ? 767 GLU B O 1 ATOM 9947 C CB . GLU B 1 685 ? 49.327 19.525 -5.693 1.00 56.20 ? 767 GLU B CB 1 ATOM 9948 C CG . GLU B 1 685 ? 50.590 19.375 -6.525 1.00 63.99 ? 767 GLU B CG 1 ATOM 9949 C CD . GLU B 1 685 ? 50.305 19.267 -8.009 1.00 71.74 ? 767 GLU B CD 1 ATOM 9950 O OE1 . GLU B 1 685 ? 49.128 19.077 -8.379 1.00 72.70 ? 767 GLU B OE1 1 ATOM 9951 O OE2 . GLU B 1 685 ? 51.261 19.378 -8.805 1.00 74.33 ? 767 GLU B OE2 1 ATOM 9952 N N . ARG B 1 686 ? 47.485 18.799 -3.181 1.00 46.43 ? 768 ARG B N 1 ATOM 9953 C CA . ARG B 1 686 ? 46.178 18.986 -2.557 1.00 44.39 ? 768 ARG B CA 1 ATOM 9954 C C . ARG B 1 686 ? 46.155 18.482 -1.119 1.00 34.02 ? 768 ARG B C 1 ATOM 9955 O O . ARG B 1 686 ? 45.088 18.329 -0.524 1.00 37.60 ? 768 ARG B O 1 ATOM 9956 C CB . ARG B 1 686 ? 45.094 18.284 -3.382 1.00 47.77 ? 768 ARG B CB 1 ATOM 9957 C CG . ARG B 1 686 ? 44.996 18.756 -4.826 1.00 52.87 ? 768 ARG B CG 1 ATOM 9958 C CD . ARG B 1 686 ? 44.371 17.686 -5.716 1.00 60.54 ? 768 ARG B CD 1 ATOM 9959 N NE . ARG B 1 686 ? 42.964 17.445 -5.405 1.00 61.83 ? 768 ARG B NE 1 ATOM 9960 C CZ . ARG B 1 686 ? 41.948 17.976 -6.079 1.00 53.32 ? 768 ARG B CZ 1 ATOM 9961 N NH1 . ARG B 1 686 ? 42.181 18.781 -7.107 1.00 59.37 ? 768 ARG B NH1 1 ATOM 9962 N NH2 . ARG B 1 686 ? 40.700 17.700 -5.727 1.00 34.03 ? 768 ARG B NH2 1 ATOM 9963 N N . ASN B 1 687 ? 47.342 18.232 -0.573 1.00 26.67 ? 769 ASN B N 1 ATOM 9964 C CA . ASN B 1 687 ? 47.502 17.726 0.789 1.00 29.05 ? 769 ASN B CA 1 ATOM 9965 C C . ASN B 1 687 ? 46.692 16.455 1.028 1.00 29.89 ? 769 ASN B C 1 ATOM 9966 O O . ASN B 1 687 ? 45.940 16.355 1.997 1.00 29.54 ? 769 ASN B O 1 ATOM 9967 C CB . ASN B 1 687 ? 47.149 18.801 1.821 1.00 33.49 ? 769 ASN B CB 1 ATOM 9968 C CG . ASN B 1 687 ? 47.707 18.493 3.198 1.00 37.86 ? 769 ASN B CG 1 ATOM 9969 O OD1 . ASN B 1 687 ? 48.854 18.822 3.502 1.00 43.64 ? 769 ASN B OD1 1 ATOM 9970 N ND2 . ASN B 1 687 ? 46.897 17.862 4.040 1.00 29.78 ? 769 ASN B ND2 1 ATOM 9971 N N . GLY B 1 688 ? 46.853 15.486 0.134 1.00 38.89 ? 770 GLY B N 1 ATOM 9972 C CA . GLY B 1 688 ? 46.114 14.240 0.216 1.00 43.99 ? 770 GLY B CA 1 ATOM 9973 C C . GLY B 1 688 ? 44.863 14.270 -0.641 1.00 36.78 ? 770 GLY B C 1 ATOM 9974 O O . GLY B 1 688 ? 44.281 15.332 -0.859 1.00 41.60 ? 770 GLY B O 1 ATOM 9975 N N . ILE B 1 689 ? 44.444 13.106 -1.127 1.00 26.34 ? 771 ILE B N 1 ATOM 9976 C CA . ILE B 1 689 ? 43.234 13.014 -1.938 1.00 27.94 ? 771 ILE B CA 1 ATOM 9977 C C . ILE B 1 689 ? 42.396 11.789 -1.581 1.00 29.72 ? 771 ILE B C 1 ATOM 9978 O O . ILE B 1 689 ? 42.936 10.725 -1.279 1.00 38.07 ? 771 ILE B O 1 ATOM 9979 C CB . ILE B 1 689 ? 43.559 12.952 -3.451 1.00 37.41 ? 771 ILE B CB 1 ATOM 9980 C CG1 . ILE B 1 689 ? 44.571 11.842 -3.742 1.00 44.13 ? 771 ILE B CG1 1 ATOM 9981 C CG2 . ILE B 1 689 ? 44.076 14.293 -3.954 1.00 39.07 ? 771 ILE B CG2 1 ATOM 9982 C CD1 . ILE B 1 689 ? 44.933 11.715 -5.205 1.00 46.87 ? 771 ILE B CD1 1 ATOM 9983 N N . ASN B 1 690 ? 41.076 11.942 -1.608 1.00 21.18 ? 772 ASN B N 1 ATOM 9984 C CA . ASN B 1 690 ? 40.187 10.793 -1.497 1.00 19.06 ? 772 ASN B CA 1 ATOM 9985 C C . ASN B 1 690 ? 39.758 10.340 -2.888 1.00 24.18 ? 772 ASN B C 1 ATOM 9986 O O . ASN B 1 690 ? 39.245 11.135 -3.674 1.00 28.40 ? 772 ASN B O 1 ATOM 9987 C CB . ASN B 1 690 ? 38.963 11.119 -0.643 1.00 25.72 ? 772 ASN B CB 1 ATOM 9988 C CG . ASN B 1 690 ? 37.974 9.967 -0.581 1.00 33.89 ? 772 ASN B CG 1 ATOM 9989 O OD1 . ASN B 1 690 ? 36.977 9.949 -1.305 1.00 20.88 ? 772 ASN B OD1 1 ATOM 9990 N ND2 . ASN B 1 690 ? 38.246 8.998 0.286 1.00 36.08 ? 772 ASN B ND2 1 ATOM 9991 N N . VAL B 1 691 ? 39.968 9.063 -3.189 1.00 17.52 ? 773 VAL B N 1 ATOM 9992 C CA . VAL B 1 691 ? 39.712 8.551 -4.530 1.00 19.09 ? 773 VAL B CA 1 ATOM 9993 C C . VAL B 1 691 ? 38.574 7.533 -4.558 1.00 27.83 ? 773 VAL B C 1 ATOM 9994 O O . VAL B 1 691 ? 38.526 6.613 -3.740 1.00 28.51 ? 773 VAL B O 1 ATOM 9995 C CB . VAL B 1 691 ? 40.976 7.906 -5.128 1.00 19.06 ? 773 VAL B CB 1 ATOM 9996 C CG1 . VAL B 1 691 ? 40.727 7.476 -6.567 1.00 15.20 ? 773 VAL B CG1 1 ATOM 9997 C CG2 . VAL B 1 691 ? 42.146 8.875 -5.058 1.00 24.91 ? 773 VAL B CG2 1 ATOM 9998 N N . VAL B 1 692 ? 37.661 7.707 -5.508 1.00 11.72 ? 774 VAL B N 1 ATOM 9999 C CA . VAL B 1 692 ? 36.627 6.718 -5.776 1.00 32.13 ? 774 VAL B CA 1 ATOM 10000 C C . VAL B 1 692 ? 36.675 6.327 -7.248 1.00 27.62 ? 774 VAL B C 1 ATOM 10001 O O . VAL B 1 692 ? 36.543 7.175 -8.131 1.00 36.88 ? 774 VAL B O 1 ATOM 10002 C CB . VAL B 1 692 ? 35.222 7.254 -5.436 1.00 35.49 ? 774 VAL B CB 1 ATOM 10003 C CG1 . VAL B 1 692 ? 34.163 6.207 -5.745 1.00 29.28 ? 774 VAL B CG1 1 ATOM 10004 C CG2 . VAL B 1 692 ? 35.152 7.677 -3.979 1.00 45.70 ? 774 VAL B CG2 1 ATOM 10005 N N . SER B 1 693 ? 36.868 5.037 -7.509 1.00 19.69 ? 775 SER B N 1 ATOM 10006 C CA . SER B 1 693 ? 36.993 4.548 -8.877 1.00 21.07 ? 775 SER B CA 1 ATOM 10007 C C . SER B 1 693 ? 36.057 3.375 -9.142 1.00 28.67 ? 775 SER B C 1 ATOM 10008 O O . SER B 1 693 ? 35.593 2.716 -8.213 1.00 41.34 ? 775 SER B O 1 ATOM 10009 C CB . SER B 1 693 ? 38.437 4.132 -9.164 1.00 34.94 ? 775 SER B CB 1 ATOM 10010 O OG . SER B 1 693 ? 39.324 5.221 -8.977 1.00 54.93 ? 775 SER B OG 1 ATOM 10011 N N . GLY B 1 694 ? 35.787 3.118 -10.418 1.00 29.30 ? 776 GLY B N 1 ATOM 10012 C CA . GLY B 1 694 ? 34.945 2.002 -10.809 1.00 34.36 ? 776 GLY B CA 1 ATOM 10013 C C . GLY B 1 694 ? 34.726 1.928 -12.309 1.00 36.66 ? 776 GLY B C 1 ATOM 10014 O O . GLY B 1 694 ? 35.066 2.862 -13.035 1.00 38.52 ? 776 GLY B O 1 ATOM 10015 N N . PRO B 1 695 ? 34.162 0.807 -12.782 1.00 37.43 ? 777 PRO B N 1 ATOM 10016 C CA . PRO B 1 695 ? 33.896 0.568 -14.204 1.00 34.29 ? 777 PRO B CA 1 ATOM 10017 C C . PRO B 1 695 ? 32.645 1.299 -14.679 1.00 32.75 ? 777 PRO B C 1 ATOM 10018 O O . PRO B 1 695 ? 31.747 1.567 -13.881 1.00 20.44 ? 777 PRO B O 1 ATOM 10019 C CB . PRO B 1 695 ? 33.660 -0.940 -14.255 1.00 36.48 ? 777 PRO B CB 1 ATOM 10020 C CG . PRO B 1 695 ? 33.070 -1.255 -12.926 1.00 38.60 ? 777 PRO B CG 1 ATOM 10021 C CD . PRO B 1 695 ? 33.750 -0.334 -11.947 1.00 42.17 ? 777 PRO B CD 1 ATOM 10022 N N . VAL B 1 696 ? 32.595 1.616 -15.969 1.00 36.02 ? 778 VAL B N 1 ATOM 10023 C CA . VAL B 1 696 ? 31.441 2.293 -16.548 1.00 35.34 ? 778 VAL B CA 1 ATOM 10024 C C . VAL B 1 696 ? 30.903 1.511 -17.741 1.00 36.85 ? 778 VAL B C 1 ATOM 10025 O O . VAL B 1 696 ? 31.656 1.142 -18.642 1.00 38.33 ? 778 VAL B O 1 ATOM 10026 C CB . VAL B 1 696 ? 31.794 3.725 -16.998 1.00 31.94 ? 778 VAL B CB 1 ATOM 10027 C CG1 . VAL B 1 696 ? 30.587 4.400 -17.628 1.00 27.49 ? 778 VAL B CG1 1 ATOM 10028 C CG2 . VAL B 1 696 ? 32.311 4.543 -15.825 1.00 24.44 ? 778 VAL B CG2 1 ATOM 10029 N N . PHE B 1 697 ? 29.598 1.261 -17.742 1.00 41.04 ? 779 PHE B N 1 ATOM 10030 C CA . PHE B 1 697 ? 28.959 0.514 -18.820 1.00 43.66 ? 779 PHE B CA 1 ATOM 10031 C C . PHE B 1 697 ? 27.852 1.322 -19.481 1.00 42.45 ? 779 PHE B C 1 ATOM 10032 O O . PHE B 1 697 ? 26.723 1.358 -18.990 1.00 62.05 ? 779 PHE B O 1 ATOM 10033 C CB . PHE B 1 697 ? 28.391 -0.805 -18.295 1.00 48.82 ? 779 PHE B CB 1 ATOM 10034 C CG . PHE B 1 697 ? 29.390 -1.640 -17.553 1.00 48.46 ? 779 PHE B CG 1 ATOM 10035 C CD1 . PHE B 1 697 ? 30.263 -2.466 -18.239 1.00 50.51 ? 779 PHE B CD1 1 ATOM 10036 C CD2 . PHE B 1 697 ? 29.458 -1.601 -16.171 1.00 51.65 ? 779 PHE B CD2 1 ATOM 10037 C CE1 . PHE B 1 697 ? 31.186 -3.237 -17.562 1.00 53.78 ? 779 PHE B CE1 1 ATOM 10038 C CE2 . PHE B 1 697 ? 30.380 -2.371 -15.489 1.00 59.13 ? 779 PHE B CE2 1 ATOM 10039 C CZ . PHE B 1 697 ? 31.245 -3.188 -16.187 1.00 57.40 ? 779 PHE B CZ 1 ATOM 10040 N N . ASP B 1 698 ? 28.180 1.974 -20.590 1.00 27.62 ? 780 ASP B N 1 ATOM 10041 C CA . ASP B 1 698 ? 27.186 2.709 -21.361 1.00 36.81 ? 780 ASP B CA 1 ATOM 10042 C C . ASP B 1 698 ? 27.342 2.396 -22.846 1.00 44.65 ? 780 ASP B C 1 ATOM 10043 O O . ASP B 1 698 ? 27.941 3.168 -23.595 1.00 41.34 ? 780 ASP B O 1 ATOM 10044 C CB . ASP B 1 698 ? 27.304 4.215 -21.120 1.00 32.33 ? 780 ASP B CB 1 ATOM 10045 C CG . ASP B 1 698 ? 26.127 4.989 -21.685 1.00 28.61 ? 780 ASP B CG 1 ATOM 10046 O OD1 . ASP B 1 698 ? 25.002 4.445 -21.692 1.00 25.26 ? 780 ASP B OD1 1 ATOM 10047 O OD2 . ASP B 1 698 ? 26.325 6.145 -22.116 1.00 30.81 ? 780 ASP B OD2 1 ATOM 10048 N N . PHE B 1 699 ? 26.797 1.257 -23.262 1.00 43.82 ? 781 PHE B N 1 ATOM 10049 C CA . PHE B 1 699 ? 26.924 0.796 -24.641 1.00 37.08 ? 781 PHE B CA 1 ATOM 10050 C C . PHE B 1 699 ? 25.987 1.548 -25.578 1.00 30.78 ? 781 PHE B C 1 ATOM 10051 O O . PHE B 1 699 ? 26.232 1.624 -26.781 1.00 41.61 ? 781 PHE B O 1 ATOM 10052 C CB . PHE B 1 699 ? 26.661 -0.709 -24.733 1.00 20.67 ? 781 PHE B CB 1 ATOM 10053 C CG . PHE B 1 699 ? 27.588 -1.541 -23.894 1.00 20.97 ? 781 PHE B CG 1 ATOM 10054 C CD1 . PHE B 1 699 ? 28.848 -1.877 -24.358 1.00 46.01 ? 781 PHE B CD1 1 ATOM 10055 C CD2 . PHE B 1 699 ? 27.196 -1.996 -22.647 1.00 20.75 ? 781 PHE B CD2 1 ATOM 10056 C CE1 . PHE B 1 699 ? 29.703 -2.644 -23.589 1.00 41.33 ? 781 PHE B CE1 1 ATOM 10057 C CE2 . PHE B 1 699 ? 28.046 -2.764 -21.875 1.00 36.24 ? 781 PHE B CE2 1 ATOM 10058 C CZ . PHE B 1 699 ? 29.301 -3.087 -22.347 1.00 37.17 ? 781 PHE B CZ 1 ATOM 10059 N N . ASP B 1 700 ? 24.914 2.101 -25.021 1.00 23.31 ? 782 ASP B N 1 ATOM 10060 C CA . ASP B 1 700 ? 23.939 2.845 -25.812 1.00 25.14 ? 782 ASP B CA 1 ATOM 10061 C C . ASP B 1 700 ? 24.286 4.328 -25.909 1.00 32.90 ? 782 ASP B C 1 ATOM 10062 O O . ASP B 1 700 ? 23.504 5.118 -26.440 1.00 30.41 ? 782 ASP B O 1 ATOM 10063 C CB . ASP B 1 700 ? 22.531 2.664 -25.242 1.00 23.36 ? 782 ASP B CB 1 ATOM 10064 C CG . ASP B 1 700 ? 22.454 3.002 -23.765 1.00 38.31 ? 782 ASP B CG 1 ATOM 10065 O OD1 . ASP B 1 700 ? 23.503 2.951 -23.089 1.00 44.86 ? 782 ASP B OD1 1 ATOM 10066 O OD2 . ASP B 1 700 ? 21.346 3.317 -23.281 1.00 39.74 ? 782 ASP B OD2 1 ATOM 10067 N N . TYR B 1 701 ? 25.470 4.683 -25.409 1.00 32.54 ? 783 TYR B N 1 ATOM 10068 C CA . TYR B 1 701 ? 26.003 6.050 -25.456 1.00 40.34 ? 783 TYR B CA 1 ATOM 10069 C C . TYR B 1 701 ? 24.982 7.166 -25.211 1.00 43.06 ? 783 TYR B C 1 ATOM 10070 O O . TYR B 1 701 ? 24.949 8.161 -25.935 1.00 32.15 ? 783 TYR B O 1 ATOM 10071 C CB . TYR B 1 701 ? 26.791 6.299 -26.752 1.00 44.39 ? 783 TYR B CB 1 ATOM 10072 C CG . TYR B 1 701 ? 26.064 5.924 -28.027 1.00 50.55 ? 783 TYR B CG 1 ATOM 10073 C CD1 . TYR B 1 701 ? 25.223 6.825 -28.666 1.00 51.89 ? 783 TYR B CD1 1 ATOM 10074 C CD2 . TYR B 1 701 ? 26.234 4.669 -28.598 1.00 52.56 ? 783 TYR B CD2 1 ATOM 10075 C CE1 . TYR B 1 701 ? 24.561 6.483 -29.831 1.00 56.49 ? 783 TYR B CE1 1 ATOM 10076 C CE2 . TYR B 1 701 ? 25.577 4.318 -29.761 1.00 55.17 ? 783 TYR B CE2 1 ATOM 10077 C CZ . TYR B 1 701 ? 24.743 5.229 -30.374 1.00 62.77 ? 783 TYR B CZ 1 ATOM 10078 O OH . TYR B 1 701 ? 24.088 4.881 -31.534 1.00 68.60 ? 783 TYR B OH 1 ATOM 10079 N N . ASP B 1 702 ? 24.161 6.997 -24.181 1.00 46.38 ? 784 ASP B N 1 ATOM 10080 C CA . ASP B 1 702 ? 23.156 7.996 -23.836 1.00 38.71 ? 784 ASP B CA 1 ATOM 10081 C C . ASP B 1 702 ? 23.611 8.825 -22.640 1.00 32.87 ? 784 ASP B C 1 ATOM 10082 O O . ASP B 1 702 ? 22.964 9.805 -22.269 1.00 30.61 ? 784 ASP B O 1 ATOM 10083 C CB . ASP B 1 702 ? 21.809 7.332 -23.546 1.00 30.84 ? 784 ASP B CB 1 ATOM 10084 C CG . ASP B 1 702 ? 21.888 6.331 -22.415 1.00 37.06 ? 784 ASP B CG 1 ATOM 10085 O OD1 . ASP B 1 702 ? 23.000 5.834 -22.144 1.00 42.19 ? 784 ASP B OD1 1 ATOM 10086 O OD2 . ASP B 1 702 ? 20.838 6.032 -21.807 1.00 37.59 ? 784 ASP B OD2 1 ATOM 10087 N N . GLY B 1 703 ? 24.726 8.423 -22.038 1.00 28.08 ? 785 GLY B N 1 ATOM 10088 C CA . GLY B 1 703 ? 25.268 9.138 -20.900 1.00 38.07 ? 785 GLY B CA 1 ATOM 10089 C C . GLY B 1 703 ? 24.735 8.624 -19.578 1.00 41.59 ? 785 GLY B C 1 ATOM 10090 O O . GLY B 1 703 ? 25.089 9.132 -18.513 1.00 56.23 ? 785 GLY B O 1 ATOM 10091 N N . ARG B 1 704 ? 23.879 7.611 -19.649 1.00 28.88 ? 786 ARG B N 1 ATOM 10092 C CA . ARG B 1 704 ? 23.290 7.019 -18.455 1.00 31.32 ? 786 ARG B CA 1 ATOM 10093 C C . ARG B 1 704 ? 23.614 5.534 -18.343 1.00 32.60 ? 786 ARG B C 1 ATOM 10094 O O . ARG B 1 704 ? 23.980 4.900 -19.331 1.00 42.65 ? 786 ARG B O 1 ATOM 10095 C CB . ARG B 1 704 ? 21.777 7.250 -18.446 1.00 31.78 ? 786 ARG B CB 1 ATOM 10096 C CG . ARG B 1 704 ? 21.409 8.712 -18.654 1.00 28.52 ? 786 ARG B CG 1 ATOM 10097 C CD . ARG B 1 704 ? 20.201 9.136 -17.841 1.00 42.75 ? 786 ARG B CD 1 ATOM 10098 N NE . ARG B 1 704 ? 18.972 8.529 -18.340 1.00 55.71 ? 786 ARG B NE 1 ATOM 10099 C CZ . ARG B 1 704 ? 17.765 8.774 -17.842 1.00 64.21 ? 786 ARG B CZ 1 ATOM 10100 N NH1 . ARG B 1 704 ? 17.624 9.626 -16.835 1.00 66.64 ? 786 ARG B NH1 1 ATOM 10101 N NH2 . ARG B 1 704 ? 16.699 8.179 -18.358 1.00 65.53 ? 786 ARG B NH2 1 ATOM 10102 N N . TYR B 1 705 ? 23.493 4.983 -17.138 1.00 33.44 ? 787 TYR B N 1 ATOM 10103 C CA . TYR B 1 705 ? 23.827 3.580 -16.917 1.00 48.21 ? 787 TYR B CA 1 ATOM 10104 C C . TYR B 1 705 ? 22.869 2.649 -17.650 1.00 47.12 ? 787 TYR B C 1 ATOM 10105 O O . TYR B 1 705 ? 21.682 2.945 -17.796 1.00 34.93 ? 787 TYR B O 1 ATOM 10106 C CB . TYR B 1 705 ? 23.868 3.248 -15.422 1.00 55.23 ? 787 TYR B CB 1 ATOM 10107 C CG . TYR B 1 705 ? 22.549 3.386 -14.694 1.00 57.66 ? 787 TYR B CG 1 ATOM 10108 C CD1 . TYR B 1 705 ? 22.146 4.610 -14.175 1.00 55.43 ? 787 TYR B CD1 1 ATOM 10109 C CD2 . TYR B 1 705 ? 21.714 2.290 -14.509 1.00 59.21 ? 787 TYR B CD2 1 ATOM 10110 C CE1 . TYR B 1 705 ? 20.947 4.742 -13.500 1.00 51.29 ? 787 TYR B CE1 1 ATOM 10111 C CE2 . TYR B 1 705 ? 20.510 2.413 -13.837 1.00 59.82 ? 787 TYR B CE2 1 ATOM 10112 C CZ . TYR B 1 705 ? 20.133 3.640 -13.335 1.00 55.53 ? 787 TYR B CZ 1 ATOM 10113 O OH . TYR B 1 705 ? 18.939 3.770 -12.666 1.00 58.04 ? 787 TYR B OH 1 ATOM 10114 N N . ASP B 1 706 ? 23.399 1.521 -18.109 1.00 48.98 ? 788 ASP B N 1 ATOM 10115 C CA . ASP B 1 706 ? 22.626 0.573 -18.902 1.00 51.86 ? 788 ASP B CA 1 ATOM 10116 C C . ASP B 1 706 ? 21.785 -0.363 -18.045 1.00 54.39 ? 788 ASP B C 1 ATOM 10117 O O . ASP B 1 706 ? 22.158 -0.694 -16.918 1.00 59.02 ? 788 ASP B O 1 ATOM 10118 C CB . ASP B 1 706 ? 23.556 -0.243 -19.798 1.00 53.17 ? 788 ASP B CB 1 ATOM 10119 C CG . ASP B 1 706 ? 24.365 0.624 -20.742 1.00 40.79 ? 788 ASP B CG 1 ATOM 10120 O OD1 . ASP B 1 706 ? 24.061 1.829 -20.859 1.00 30.04 ? 788 ASP B OD1 1 ATOM 10121 O OD2 . ASP B 1 706 ? 25.306 0.100 -21.369 1.00 42.50 ? 788 ASP B OD2 1 ATOM 10122 N N . SER B 1 707 ? 20.649 -0.790 -18.589 1.00 60.56 ? 789 SER B N 1 ATOM 10123 C CA . SER B 1 707 ? 19.788 -1.741 -17.901 1.00 67.52 ? 789 SER B CA 1 ATOM 10124 C C . SER B 1 707 ? 20.356 -3.149 -18.025 1.00 68.03 ? 789 SER B C 1 ATOM 10125 O O . SER B 1 707 ? 21.269 -3.390 -18.814 1.00 62.00 ? 789 SER B O 1 ATOM 10126 C CB . SER B 1 707 ? 18.369 -1.697 -18.472 1.00 60.34 ? 789 SER B CB 1 ATOM 10127 O OG . SER B 1 707 ? 18.363 -2.053 -19.844 1.00 53.24 ? 789 SER B OG 1 ATOM 10128 N N . LEU B 1 708 ? 19.805 -4.073 -17.246 1.00 70.46 ? 790 LEU B N 1 ATOM 10129 C CA . LEU B 1 708 ? 20.273 -5.455 -17.241 1.00 76.53 ? 790 LEU B CA 1 ATOM 10130 C C . LEU B 1 708 ? 20.060 -6.107 -18.600 1.00 83.18 ? 790 LEU B C 1 ATOM 10131 O O . LEU B 1 708 ? 20.827 -6.981 -19.009 1.00 79.99 ? 790 LEU B O 1 ATOM 10132 C CB . LEU B 1 708 ? 19.567 -6.267 -16.149 1.00 76.75 ? 790 LEU B CB 1 ATOM 10133 C CG . LEU B 1 708 ? 20.145 -6.291 -14.729 1.00 74.16 ? 790 LEU B CG 1 ATOM 10134 C CD1 . LEU B 1 708 ? 21.448 -7.078 -14.693 1.00 69.08 ? 790 LEU B CD1 1 ATOM 10135 C CD2 . LEU B 1 708 ? 20.340 -4.890 -14.169 1.00 72.80 ? 790 LEU B CD2 1 ATOM 10136 N N . GLU B 1 709 ? 19.013 -5.674 -19.295 1.00 89.45 ? 791 GLU B N 1 ATOM 10137 C CA . GLU B 1 709 ? 18.667 -6.252 -20.586 1.00 90.66 ? 791 GLU B CA 1 ATOM 10138 C C . GLU B 1 709 ? 19.712 -6.009 -21.670 1.00 90.62 ? 791 GLU B C 1 ATOM 10139 O O . GLU B 1 709 ? 20.159 -6.952 -22.315 1.00 99.23 ? 791 GLU B O 1 ATOM 10140 C CB . GLU B 1 709 ? 17.293 -5.747 -21.049 1.00 96.22 ? 791 GLU B CB 1 ATOM 10141 C CG . GLU B 1 709 ? 16.541 -4.899 -20.026 1.00 106.23 ? 791 GLU B CG 1 ATOM 10142 C CD . GLU B 1 709 ? 16.061 -5.699 -18.828 1.00 116.78 ? 791 GLU B CD 1 ATOM 10143 O OE1 . GLU B 1 709 ? 14.902 -6.163 -18.843 1.00 118.03 ? 791 GLU B OE1 1 ATOM 10144 O OE2 . GLU B 1 709 ? 16.848 -5.863 -17.871 1.00 121.38 ? 791 GLU B OE2 1 ATOM 10145 N N . ILE B 1 710 ? 20.118 -4.756 -21.857 1.00 81.61 ? 792 ILE B N 1 ATOM 10146 C CA . ILE B 1 710 ? 21.116 -4.446 -22.879 1.00 72.22 ? 792 ILE B CA 1 ATOM 10147 C C . ILE B 1 710 ? 22.526 -4.818 -22.418 1.00 56.92 ? 792 ILE B C 1 ATOM 10148 O O . ILE B 1 710 ? 23.416 -5.033 -23.239 1.00 53.01 ? 792 ILE B O 1 ATOM 10149 C CB . ILE B 1 710 ? 21.047 -2.960 -23.319 1.00 34.60 ? 792 ILE B CB 1 ATOM 10150 C CG1 . ILE B 1 710 ? 22.009 -2.084 -22.519 1.00 39.47 ? 792 ILE B CG1 1 ATOM 10151 C CG2 . ILE B 1 710 ? 19.618 -2.439 -23.236 1.00 32.23 ? 792 ILE B CG2 1 ATOM 10152 C CD1 . ILE B 1 710 ? 21.949 -0.627 -22.928 1.00 44.58 ? 792 ILE B CD1 1 ATOM 10153 N N . LEU B 1 711 ? 22.725 -4.894 -21.105 1.00 53.59 ? 793 LEU B N 1 ATOM 10154 C CA . LEU B 1 711 ? 24.008 -5.316 -20.553 1.00 57.97 ? 793 LEU B CA 1 ATOM 10155 C C . LEU B 1 711 ? 24.302 -6.767 -20.913 1.00 57.97 ? 793 LEU B C 1 ATOM 10156 O O . LEU B 1 711 ? 25.447 -7.124 -21.190 1.00 60.54 ? 793 LEU B O 1 ATOM 10157 C CB . LEU B 1 711 ? 24.038 -5.136 -19.033 1.00 63.41 ? 793 LEU B CB 1 ATOM 10158 C CG . LEU B 1 711 ? 24.403 -3.736 -18.532 1.00 67.49 ? 793 LEU B CG 1 ATOM 10159 C CD1 . LEU B 1 711 ? 24.396 -3.685 -17.012 1.00 72.78 ? 793 LEU B CD1 1 ATOM 10160 C CD2 . LEU B 1 711 ? 25.756 -3.308 -19.077 1.00 68.00 ? 793 LEU B CD2 1 ATOM 10161 N N . LYS B 1 712 ? 23.270 -7.605 -20.893 1.00 61.26 ? 794 LYS B N 1 ATOM 10162 C CA . LYS B 1 712 ? 23.432 -9.016 -21.227 1.00 58.33 ? 794 LYS B CA 1 ATOM 10163 C C . LYS B 1 712 ? 23.632 -9.187 -22.733 1.00 62.24 ? 794 LYS B C 1 ATOM 10164 O O . LYS B 1 712 ? 24.208 -10.176 -23.187 1.00 66.91 ? 794 LYS B O 1 ATOM 10165 C CB . LYS B 1 712 ? 22.221 -9.823 -20.756 1.00 46.41 ? 794 LYS B CB 1 ATOM 10166 N N . GLN B 1 713 ? 23.150 -8.211 -23.497 1.00 57.43 ? 795 GLN B N 1 ATOM 10167 C CA . GLN B 1 713 ? 23.245 -8.224 -24.955 1.00 63.77 ? 795 GLN B CA 1 ATOM 10168 C C . GLN B 1 713 ? 24.635 -7.844 -25.459 1.00 63.93 ? 795 GLN B C 1 ATOM 10169 O O . GLN B 1 713 ? 25.037 -8.240 -26.552 1.00 70.16 ? 795 GLN B O 1 ATOM 10170 C CB . GLN B 1 713 ? 22.205 -7.279 -25.560 1.00 72.70 ? 795 GLN B CB 1 ATOM 10171 C CG . GLN B 1 713 ? 20.772 -7.649 -25.232 1.00 82.05 ? 795 GLN B CG 1 ATOM 10172 C CD . GLN B 1 713 ? 19.768 -6.670 -25.808 1.00 85.07 ? 795 GLN B CD 1 ATOM 10173 O OE1 . GLN B 1 713 ? 20.118 -5.799 -26.605 1.00 85.83 ? 795 GLN B OE1 1 ATOM 10174 N NE2 . GLN B 1 713 ? 18.510 -6.807 -25.404 1.00 82.44 ? 795 GLN B NE2 1 ATOM 10175 N N . ASN B 1 714 ? 25.365 -7.075 -24.657 1.00 57.76 ? 796 ASN B N 1 ATOM 10176 C CA . ASN B 1 714 ? 26.692 -6.592 -25.037 1.00 52.53 ? 796 ASN B CA 1 ATOM 10177 C C . ASN B 1 714 ? 27.823 -7.349 -24.355 1.00 50.33 ? 796 ASN B C 1 ATOM 10178 O O . ASN B 1 714 ? 28.969 -6.901 -24.349 1.00 49.46 ? 796 ASN B O 1 ATOM 10179 C CB . ASN B 1 714 ? 26.822 -5.095 -24.751 1.00 49.44 ? 796 ASN B CB 1 ATOM 10180 C CG . ASN B 1 714 ? 25.827 -4.265 -25.533 1.00 47.28 ? 796 ASN B CG 1 ATOM 10181 O OD1 . ASN B 1 714 ? 26.127 -3.787 -26.628 1.00 41.62 ? 796 ASN B OD1 1 ATOM 10182 N ND2 . ASN B 1 714 ? 24.634 -4.089 -24.978 1.00 52.95 ? 796 ASN B ND2 1 ATOM 10183 N N . SER B 1 715 ? 27.488 -8.490 -23.766 1.00 46.59 ? 797 SER B N 1 ATOM 10184 C CA . SER B 1 715 ? 28.467 -9.329 -23.085 1.00 50.03 ? 797 SER B CA 1 ATOM 10185 C C . SER B 1 715 ? 29.201 -10.237 -24.067 1.00 45.72 ? 797 SER B C 1 ATOM 10186 O O . SER B 1 715 ? 28.669 -11.266 -24.495 1.00 51.20 ? 797 SER B O 1 ATOM 10187 C CB . SER B 1 715 ? 27.790 -10.170 -22.004 1.00 63.86 ? 797 SER B CB 1 ATOM 10188 O OG . SER B 1 715 ? 28.623 -11.241 -21.599 1.00 70.94 ? 797 SER B OG 1 ATOM 10189 N N . ARG B 1 716 ? 30.424 -9.845 -24.422 1.00 51.08 ? 798 ARG B N 1 ATOM 10190 C CA . ARG B 1 716 ? 31.245 -10.625 -25.341 1.00 59.15 ? 798 ARG B CA 1 ATOM 10191 C C . ARG B 1 716 ? 31.703 -11.920 -24.689 1.00 60.86 ? 798 ARG B C 1 ATOM 10192 O O . ARG B 1 716 ? 31.655 -12.068 -23.468 1.00 67.80 ? 798 ARG B O 1 ATOM 10193 C CB . ARG B 1 716 ? 32.462 -9.818 -25.799 1.00 60.09 ? 798 ARG B CB 1 ATOM 10194 C CG . ARG B 1 716 ? 32.124 -8.598 -26.642 1.00 67.47 ? 798 ARG B CG 1 ATOM 10195 C CD . ARG B 1 716 ? 32.983 -8.565 -27.901 1.00 75.33 ? 798 ARG B CD 1 ATOM 10196 N NE . ARG B 1 716 ? 34.408 -8.615 -27.595 1.00 79.86 ? 798 ARG B NE 1 ATOM 10197 C CZ . ARG B 1 716 ? 35.332 -7.857 -28.179 1.00 79.25 ? 798 ARG B CZ 1 ATOM 10198 N NH1 . ARG B 1 716 ? 35.003 -6.996 -29.127 1.00 78.21 ? 798 ARG B NH1 1 ATOM 10199 N NH2 . ARG B 1 716 ? 36.607 -7.990 -27.821 1.00 75.01 ? 798 ARG B NH2 1 ATOM 10200 N N . VAL B 1 717 ? 32.164 -12.849 -25.515 1.00 54.74 ? 799 VAL B N 1 ATOM 10201 C CA . VAL B 1 717 ? 32.710 -14.108 -25.036 1.00 56.78 ? 799 VAL B CA 1 ATOM 10202 C C . VAL B 1 717 ? 34.175 -14.328 -25.403 1.00 56.25 ? 799 VAL B C 1 ATOM 10203 O O . VAL B 1 717 ? 34.553 -14.231 -26.572 1.00 47.47 ? 799 VAL B O 1 ATOM 10204 C CB . VAL B 1 717 ? 31.880 -15.297 -25.553 1.00 61.34 ? 799 VAL B CB 1 ATOM 10205 C CG1 . VAL B 1 717 ? 31.595 -15.138 -27.042 1.00 69.34 ? 799 VAL B CG1 1 ATOM 10206 C CG2 . VAL B 1 717 ? 32.585 -16.614 -25.252 1.00 51.00 ? 799 VAL B CG2 1 ATOM 10207 N N . ILE B 1 718 ? 35.005 -14.602 -24.403 1.00 57.16 ? 800 ILE B N 1 ATOM 10208 C CA . ILE B 1 718 ? 36.419 -14.836 -24.648 1.00 61.70 ? 800 ILE B CA 1 ATOM 10209 C C . ILE B 1 718 ? 36.917 -15.970 -23.756 1.00 70.54 ? 800 ILE B C 1 ATOM 10210 O O . ILE B 1 718 ? 36.571 -16.037 -22.574 1.00 67.84 ? 800 ILE B O 1 ATOM 10211 C CB . ILE B 1 718 ? 37.250 -13.545 -24.416 1.00 72.57 ? 800 ILE B CB 1 ATOM 10212 C CG1 . ILE B 1 718 ? 38.751 -13.847 -24.422 1.00 79.99 ? 800 ILE B CG1 1 ATOM 10213 C CG2 . ILE B 1 718 ? 36.858 -12.883 -23.105 1.00 71.19 ? 800 ILE B CG2 1 ATOM 10214 C CD1 . ILE B 1 718 ? 39.623 -12.638 -24.150 1.00 79.40 ? 800 ILE B CD1 1 ATOM 10215 N N . ARG B 1 719 ? 37.719 -16.858 -24.344 1.00 80.49 ? 801 ARG B N 1 ATOM 10216 C CA . ARG B 1 719 ? 38.303 -18.001 -23.642 1.00 85.63 ? 801 ARG B CA 1 ATOM 10217 C C . ARG B 1 719 ? 37.235 -18.914 -23.029 1.00 81.74 ? 801 ARG B C 1 ATOM 10218 O O . ARG B 1 719 ? 37.404 -19.416 -21.913 1.00 84.12 ? 801 ARG B O 1 ATOM 10219 C CB . ARG B 1 719 ? 39.276 -17.531 -22.567 1.00 92.56 ? 801 ARG B CB 1 ATOM 10220 C CG . ARG B 1 719 ? 40.623 -17.171 -23.167 1.00 98.26 ? 801 ARG B CG 1 ATOM 10221 C CD . ARG B 1 719 ? 41.685 -16.976 -22.118 1.00 111.39 ? 801 ARG B CD 1 ATOM 10222 N NE . ARG B 1 719 ? 41.960 -15.564 -21.868 1.00 125.35 ? 801 ARG B NE 1 ATOM 10223 C CZ . ARG B 1 719 ? 43.181 -15.037 -21.853 1.00 132.83 ? 801 ARG B CZ 1 ATOM 10224 N NH1 . ARG B 1 719 ? 44.236 -15.802 -22.095 1.00 139.19 ? 801 ARG B NH1 1 ATOM 10225 N NH2 . ARG B 1 719 ? 43.348 -13.745 -21.610 1.00 129.07 ? 801 ARG B NH2 1 ATOM 10226 N N . SER B 1 720 ? 36.125 -19.071 -23.749 1.00 71.96 ? 802 SER B N 1 ATOM 10227 C CA . SER B 1 720 ? 35.020 -19.955 -23.364 1.00 64.81 ? 802 SER B CA 1 ATOM 10228 C C . SER B 1 720 ? 34.228 -19.448 -22.159 1.00 56.63 ? 802 SER B C 1 ATOM 10229 O O . SER B 1 720 ? 33.472 -20.201 -21.545 1.00 47.36 ? 802 SER B O 1 ATOM 10230 C CB . SER B 1 720 ? 35.526 -21.379 -23.100 1.00 63.41 ? 802 SER B CB 1 ATOM 10231 O OG . SER B 1 720 ? 36.369 -21.818 -24.150 1.00 58.81 ? 802 SER B OG 1 ATOM 10232 N N . GLN B 1 721 ? 34.411 -18.176 -21.817 1.00 59.62 ? 803 GLN B N 1 ATOM 10233 C CA . GLN B 1 721 ? 33.681 -17.578 -20.702 1.00 61.47 ? 803 GLN B CA 1 ATOM 10234 C C . GLN B 1 721 ? 33.095 -16.225 -21.098 1.00 63.02 ? 803 GLN B C 1 ATOM 10235 O O . GLN B 1 721 ? 33.660 -15.508 -21.925 1.00 69.71 ? 803 GLN B O 1 ATOM 10236 C CB . GLN B 1 721 ? 34.581 -17.425 -19.471 1.00 61.65 ? 803 GLN B CB 1 ATOM 10237 C CG . GLN B 1 721 ? 35.017 -18.738 -18.832 1.00 60.70 ? 803 GLN B CG 1 ATOM 10238 C CD . GLN B 1 721 ? 33.871 -19.478 -18.166 1.00 63.62 ? 803 GLN B CD 1 ATOM 10239 O OE1 . GLN B 1 721 ? 32.826 -18.897 -17.870 1.00 58.55 ? 803 GLN B OE1 1 ATOM 10240 N NE2 . GLN B 1 721 ? 34.067 -20.768 -17.919 1.00 64.53 ? 803 GLN B NE2 1 ATOM 10241 N N . GLU B 1 722 ? 31.954 -15.887 -20.505 1.00 59.80 ? 804 GLU B N 1 ATOM 10242 C CA . GLU B 1 722 ? 31.274 -14.626 -20.788 1.00 60.85 ? 804 GLU B CA 1 ATOM 10243 C C . GLU B 1 722 ? 31.851 -13.469 -19.979 1.00 63.14 ? 804 GLU B C 1 ATOM 10244 O O . GLU B 1 722 ? 31.963 -13.553 -18.755 1.00 59.85 ? 804 GLU B O 1 ATOM 10245 C CB . GLU B 1 722 ? 29.774 -14.760 -20.508 1.00 54.21 ? 804 GLU B CB 1 ATOM 10246 N N . ILE B 1 723 ? 32.217 -12.389 -20.663 1.00 64.51 ? 805 ILE B N 1 ATOM 10247 C CA . ILE B 1 723 ? 32.811 -11.237 -19.993 1.00 64.95 ? 805 ILE B CA 1 ATOM 10248 C C . ILE B 1 723 ? 32.179 -9.926 -20.465 1.00 65.99 ? 805 ILE B C 1 ATOM 10249 O O . ILE B 1 723 ? 32.049 -9.679 -21.664 1.00 60.41 ? 805 ILE B O 1 ATOM 10250 C CB . ILE B 1 723 ? 34.339 -11.182 -20.204 1.00 69.66 ? 805 ILE B CB 1 ATOM 10251 C CG1 . ILE B 1 723 ? 35.042 -12.189 -19.296 1.00 76.98 ? 805 ILE B CG1 1 ATOM 10252 C CG2 . ILE B 1 723 ? 34.873 -9.782 -19.949 1.00 67.71 ? 805 ILE B CG2 1 ATOM 10253 C CD1 . ILE B 1 723 ? 36.538 -11.979 -19.209 1.00 80.83 ? 805 ILE B CD1 1 ATOM 10254 N N . LEU B 1 724 ? 31.790 -9.094 -19.503 1.00 69.81 ? 806 LEU B N 1 ATOM 10255 C CA . LEU B 1 724 ? 31.304 -7.744 -19.765 1.00 64.15 ? 806 LEU B CA 1 ATOM 10256 C C . LEU B 1 724 ? 32.421 -6.714 -19.582 1.00 67.30 ? 806 LEU B C 1 ATOM 10257 O O . LEU B 1 724 ? 32.830 -6.436 -18.454 1.00 71.59 ? 806 LEU B O 1 ATOM 10258 C CB . LEU B 1 724 ? 30.144 -7.418 -18.823 1.00 49.45 ? 806 LEU B CB 1 ATOM 10259 C CG . LEU B 1 724 ? 29.458 -6.069 -19.034 1.00 50.22 ? 806 LEU B CG 1 ATOM 10260 C CD1 . LEU B 1 724 ? 28.859 -5.999 -20.428 1.00 50.07 ? 806 LEU B CD1 1 ATOM 10261 C CD2 . LEU B 1 724 ? 28.390 -5.839 -17.976 1.00 53.86 ? 806 LEU B CD2 1 ATOM 10262 N N . ILE B 1 725 ? 32.914 -6.152 -20.683 1.00 62.73 ? 807 ILE B N 1 ATOM 10263 C CA . ILE B 1 725 ? 34.032 -5.210 -20.620 1.00 54.94 ? 807 ILE B CA 1 ATOM 10264 C C . ILE B 1 725 ? 33.534 -3.762 -20.589 1.00 60.42 ? 807 ILE B C 1 ATOM 10265 O O . ILE B 1 725 ? 32.635 -3.383 -21.343 1.00 63.35 ? 807 ILE B O 1 ATOM 10266 C CB . ILE B 1 725 ? 35.055 -5.434 -21.775 1.00 92.16 ? 807 ILE B CB 1 ATOM 10267 C CG1 . ILE B 1 725 ? 34.557 -4.855 -23.103 1.00 99.93 ? 807 ILE B CG1 1 ATOM 10268 C CG2 . ILE B 1 725 ? 35.383 -6.907 -21.927 1.00 90.29 ? 807 ILE B CG2 1 ATOM 10269 C CD1 . ILE B 1 725 ? 35.213 -3.535 -23.483 1.00 103.73 ? 807 ILE B CD1 1 ATOM 10270 N N . PRO B 1 726 ? 34.090 -2.961 -19.667 1.00 63.76 ? 808 PRO B N 1 ATOM 10271 C CA . PRO B 1 726 ? 33.676 -1.570 -19.451 1.00 62.53 ? 808 PRO B CA 1 ATOM 10272 C C . PRO B 1 726 ? 33.956 -0.665 -20.646 1.00 53.52 ? 808 PRO B C 1 ATOM 10273 O O . PRO B 1 726 ? 34.999 -0.784 -21.287 1.00 45.02 ? 808 PRO B O 1 ATOM 10274 C CB . PRO B 1 726 ? 34.533 -1.131 -18.257 1.00 61.93 ? 808 PRO B CB 1 ATOM 10275 C CG . PRO B 1 726 ? 34.916 -2.398 -17.574 1.00 56.79 ? 808 PRO B CG 1 ATOM 10276 C CD . PRO B 1 726 ? 35.092 -3.392 -18.678 1.00 59.43 ? 808 PRO B CD 1 ATOM 10277 N N . THR B 1 727 ? 33.017 0.230 -20.939 1.00 52.73 ? 809 THR B N 1 ATOM 10278 C CA . THR B 1 727 ? 33.199 1.208 -22.002 1.00 46.35 ? 809 THR B CA 1 ATOM 10279 C C . THR B 1 727 ? 34.087 2.335 -21.496 1.00 43.68 ? 809 THR B C 1 ATOM 10280 O O . THR B 1 727 ? 34.864 2.917 -22.252 1.00 43.50 ? 809 THR B O 1 ATOM 10281 C CB . THR B 1 727 ? 31.860 1.806 -22.458 1.00 43.97 ? 809 THR B CB 1 ATOM 10282 O OG1 . THR B 1 727 ? 31.276 2.550 -21.381 1.00 41.86 ? 809 THR B OG1 1 ATOM 10283 C CG2 . THR B 1 727 ? 30.902 0.703 -22.884 1.00 46.65 ? 809 THR B CG2 1 ATOM 10284 N N . HIS B 1 728 ? 33.958 2.643 -20.209 1.00 42.18 ? 810 HIS B N 1 ATOM 10285 C CA . HIS B 1 728 ? 34.777 3.672 -19.583 1.00 37.46 ? 810 HIS B CA 1 ATOM 10286 C C . HIS B 1 728 ? 35.183 3.284 -18.165 1.00 32.69 ? 810 HIS B C 1 ATOM 10287 O O . HIS B 1 728 ? 34.718 2.282 -17.620 1.00 33.83 ? 810 HIS B O 1 ATOM 10288 C CB . HIS B 1 728 ? 34.030 5.007 -19.530 1.00 36.80 ? 810 HIS B CB 1 ATOM 10289 C CG . HIS B 1 728 ? 33.574 5.505 -20.865 1.00 36.06 ? 810 HIS B CG 1 ATOM 10290 N ND1 . HIS B 1 728 ? 32.434 5.039 -21.483 1.00 41.93 ? 810 HIS B ND1 1 ATOM 10291 C CD2 . HIS B 1 728 ? 34.091 6.445 -21.690 1.00 35.89 ? 810 HIS B CD2 1 ATOM 10292 C CE1 . HIS B 1 728 ? 32.277 5.659 -22.638 1.00 46.76 ? 810 HIS B CE1 1 ATOM 10293 N NE2 . HIS B 1 728 ? 33.267 6.520 -22.787 1.00 43.88 ? 810 HIS B NE2 1 ATOM 10294 N N . PHE B 1 729 ? 36.061 4.090 -17.579 1.00 24.17 ? 811 PHE B N 1 ATOM 10295 C CA . PHE B 1 729 ? 36.408 3.978 -16.168 1.00 31.25 ? 811 PHE B CA 1 ATOM 10296 C C . PHE B 1 729 ? 36.338 5.355 -15.524 1.00 31.33 ? 811 PHE B C 1 ATOM 10297 O O . PHE B 1 729 ? 36.967 6.299 -16.001 1.00 33.28 ? 811 PHE B O 1 ATOM 10298 C CB . PHE B 1 729 ? 37.810 3.390 -15.995 1.00 32.13 ? 811 PHE B CB 1 ATOM 10299 C CG . PHE B 1 729 ? 37.865 1.899 -16.149 1.00 40.05 ? 811 PHE B CG 1 ATOM 10300 C CD1 . PHE B 1 729 ? 37.432 1.071 -15.126 1.00 46.57 ? 811 PHE B CD1 1 ATOM 10301 C CD2 . PHE B 1 729 ? 38.350 1.324 -17.311 1.00 39.58 ? 811 PHE B CD2 1 ATOM 10302 C CE1 . PHE B 1 729 ? 37.479 -0.302 -15.260 1.00 54.04 ? 811 PHE B CE1 1 ATOM 10303 C CE2 . PHE B 1 729 ? 38.401 -0.051 -17.451 1.00 43.94 ? 811 PHE B CE2 1 ATOM 10304 C CZ . PHE B 1 729 ? 37.965 -0.864 -16.424 1.00 50.78 ? 811 PHE B CZ 1 ATOM 10305 N N . PHE B 1 730 ? 35.571 5.473 -14.447 1.00 31.19 ? 812 PHE B N 1 ATOM 10306 C CA . PHE B 1 730 ? 35.456 6.750 -13.755 1.00 28.52 ? 812 PHE B CA 1 ATOM 10307 C C . PHE B 1 730 ? 36.393 6.841 -12.558 1.00 27.84 ? 812 PHE B C 1 ATOM 10308 O O . PHE B 1 730 ? 36.731 5.833 -11.938 1.00 28.88 ? 812 PHE B O 1 ATOM 10309 C CB . PHE B 1 730 ? 34.009 7.034 -13.327 1.00 33.77 ? 812 PHE B CB 1 ATOM 10310 C CG . PHE B 1 730 ? 33.560 6.267 -12.108 1.00 40.62 ? 812 PHE B CG 1 ATOM 10311 C CD1 . PHE B 1 730 ? 33.780 6.765 -10.830 1.00 34.78 ? 812 PHE B CD1 1 ATOM 10312 C CD2 . PHE B 1 730 ? 32.901 5.056 -12.243 1.00 49.04 ? 812 PHE B CD2 1 ATOM 10313 C CE1 . PHE B 1 730 ? 33.363 6.067 -9.715 1.00 35.65 ? 812 PHE B CE1 1 ATOM 10314 C CE2 . PHE B 1 730 ? 32.478 4.354 -11.130 1.00 55.19 ? 812 PHE B CE2 1 ATOM 10315 C CZ . PHE B 1 730 ? 32.712 4.859 -9.864 1.00 48.66 ? 812 PHE B CZ 1 ATOM 10316 N N . ILE B 1 731 ? 36.810 8.062 -12.244 1.00 33.10 ? 813 ILE B N 1 ATOM 10317 C CA . ILE B 1 731 ? 37.617 8.320 -11.059 1.00 36.90 ? 813 ILE B CA 1 ATOM 10318 C C . ILE B 1 731 ? 37.326 9.724 -10.530 1.00 41.19 ? 813 ILE B C 1 ATOM 10319 O O . ILE B 1 731 ? 37.455 10.715 -11.251 1.00 35.18 ? 813 ILE B O 1 ATOM 10320 C CB . ILE B 1 731 ? 39.127 8.121 -11.333 1.00 23.09 ? 813 ILE B CB 1 ATOM 10321 C CG1 . ILE B 1 731 ? 39.953 8.554 -10.121 1.00 25.73 ? 813 ILE B CG1 1 ATOM 10322 C CG2 . ILE B 1 731 ? 39.560 8.870 -12.589 1.00 22.67 ? 813 ILE B CG2 1 ATOM 10323 C CD1 . ILE B 1 731 ? 41.439 8.366 -10.298 1.00 38.37 ? 813 ILE B CD1 1 ATOM 10324 N N . VAL B 1 732 ? 36.920 9.801 -9.269 1.00 38.70 ? 814 VAL B N 1 ATOM 10325 C CA . VAL B 1 732 ? 36.586 11.079 -8.658 1.00 24.12 ? 814 VAL B CA 1 ATOM 10326 C C . VAL B 1 732 ? 37.590 11.448 -7.575 1.00 17.81 ? 814 VAL B C 1 ATOM 10327 O O . VAL B 1 732 ? 37.758 10.723 -6.595 1.00 23.32 ? 814 VAL B O 1 ATOM 10328 C CB . VAL B 1 732 ? 35.170 11.062 -8.053 1.00 17.19 ? 814 VAL B CB 1 ATOM 10329 C CG1 . VAL B 1 732 ? 34.801 12.439 -7.522 1.00 9.16 ? 814 VAL B CG1 1 ATOM 10330 C CG2 . VAL B 1 732 ? 34.160 10.594 -9.087 1.00 17.52 ? 814 VAL B CG2 1 ATOM 10331 N N . LEU B 1 733 ? 38.253 12.584 -7.759 1.00 16.06 ? 815 LEU B N 1 ATOM 10332 C CA . LEU B 1 733 ? 39.236 13.053 -6.794 1.00 19.57 ? 815 LEU B CA 1 ATOM 10333 C C . LEU B 1 733 ? 38.636 14.145 -5.918 1.00 22.65 ? 815 LEU B C 1 ATOM 10334 O O . LEU B 1 733 ? 38.180 15.173 -6.418 1.00 36.11 ? 815 LEU B O 1 ATOM 10335 C CB . LEU B 1 733 ? 40.483 13.574 -7.513 1.00 19.31 ? 815 LEU B CB 1 ATOM 10336 C CG . LEU B 1 733 ? 41.121 12.628 -8.535 1.00 16.55 ? 815 LEU B CG 1 ATOM 10337 C CD1 . LEU B 1 733 ? 42.374 13.247 -9.128 1.00 21.17 ? 815 LEU B CD1 1 ATOM 10338 C CD2 . LEU B 1 733 ? 41.434 11.279 -7.905 1.00 15.10 ? 815 LEU B CD2 1 ATOM 10339 N N . THR B 1 734 ? 38.639 13.921 -4.608 1.00 20.95 ? 816 THR B N 1 ATOM 10340 C CA . THR B 1 734 ? 38.087 14.895 -3.675 1.00 22.75 ? 816 THR B CA 1 ATOM 10341 C C . THR B 1 734 ? 39.152 15.347 -2.680 1.00 19.82 ? 816 THR B C 1 ATOM 10342 O O . THR B 1 734 ? 39.863 14.527 -2.101 1.00 17.10 ? 816 THR B O 1 ATOM 10343 C CB . THR B 1 734 ? 36.885 14.329 -2.902 1.00 23.64 ? 816 THR B CB 1 ATOM 10344 O OG1 . THR B 1 734 ? 35.968 13.724 -3.821 1.00 24.51 ? 816 THR B OG1 1 ATOM 10345 C CG2 . THR B 1 734 ? 36.173 15.438 -2.137 1.00 17.02 ? 816 THR B CG2 1 ATOM 10346 N N . SER B 1 735 ? 39.257 16.658 -2.491 1.00 21.48 ? 817 SER B N 1 ATOM 10347 C CA . SER B 1 735 ? 40.201 17.222 -1.533 1.00 18.20 ? 817 SER B CA 1 ATOM 10348 C C . SER B 1 735 ? 39.583 18.390 -0.775 1.00 26.49 ? 817 SER B C 1 ATOM 10349 O O . SER B 1 735 ? 38.415 18.725 -0.977 1.00 24.28 ? 817 SER B O 1 ATOM 10350 C CB . SER B 1 735 ? 41.480 17.679 -2.234 1.00 24.61 ? 817 SER B CB 1 ATOM 10351 O OG . SER B 1 735 ? 42.187 16.573 -2.766 1.00 45.33 ? 817 SER B OG 1 ATOM 10352 N N . CYS B 1 736 ? 40.371 19.006 0.098 1.00 30.97 ? 818 CYS B N 1 ATOM 10353 C CA . CYS B 1 736 ? 39.903 20.151 0.865 1.00 22.96 ? 818 CYS B CA 1 ATOM 10354 C C . CYS B 1 736 ? 40.216 21.447 0.134 1.00 30.98 ? 818 CYS B C 1 ATOM 10355 O O . CYS B 1 736 ? 41.236 21.558 -0.547 1.00 38.53 ? 818 CYS B O 1 ATOM 10356 C CB . CYS B 1 736 ? 40.544 20.169 2.253 1.00 11.13 ? 818 CYS B CB 1 ATOM 10357 S SG . CYS B 1 736 ? 40.135 18.753 3.281 1.00 26.77 ? 818 CYS B SG 1 ATOM 10358 N N . LYS B 1 737 ? 39.331 22.427 0.283 1.00 21.70 ? 819 LYS B N 1 ATOM 10359 C CA . LYS B 1 737 ? 39.533 23.735 -0.321 1.00 16.91 ? 819 LYS B CA 1 ATOM 10360 C C . LYS B 1 737 ? 40.615 24.480 0.450 1.00 14.22 ? 819 LYS B C 1 ATOM 10361 O O . LYS B 1 737 ? 41.252 25.393 -0.072 1.00 19.51 ? 819 LYS B O 1 ATOM 10362 C CB . LYS B 1 737 ? 38.221 24.520 -0.327 1.00 13.13 ? 819 LYS B CB 1 ATOM 10363 C CG . LYS B 1 737 ? 37.963 25.289 -1.610 1.00 34.68 ? 819 LYS B CG 1 ATOM 10364 C CD . LYS B 1 737 ? 36.572 25.906 -1.608 1.00 51.15 ? 819 LYS B CD 1 ATOM 10365 C CE . LYS B 1 737 ? 36.281 26.637 -2.910 1.00 56.66 ? 819 LYS B CE 1 ATOM 10366 N NZ . LYS B 1 737 ? 36.341 25.715 -4.079 1.00 61.79 ? 819 LYS B NZ 1 ATOM 10367 N N . GLN B 1 738 ? 40.808 24.074 1.700 1.00 20.38 ? 820 GLN B N 1 ATOM 10368 C CA . GLN B 1 738 ? 41.862 24.619 2.542 1.00 36.62 ? 820 GLN B CA 1 ATOM 10369 C C . GLN B 1 738 ? 42.996 23.604 2.643 1.00 33.31 ? 820 GLN B C 1 ATOM 10370 O O . GLN B 1 738 ? 42.807 22.505 3.162 1.00 33.06 ? 820 GLN B O 1 ATOM 10371 C CB . GLN B 1 738 ? 41.316 24.937 3.936 1.00 43.66 ? 820 GLN B CB 1 ATOM 10372 C CG . GLN B 1 738 ? 42.127 25.962 4.709 1.00 47.68 ? 820 GLN B CG 1 ATOM 10373 C CD . GLN B 1 738 ? 41.914 27.376 4.205 1.00 61.85 ? 820 GLN B CD 1 ATOM 10374 O OE1 . GLN B 1 738 ? 42.786 28.235 4.340 1.00 70.68 ? 820 GLN B OE1 1 ATOM 10375 N NE2 . GLN B 1 738 ? 40.747 27.626 3.623 1.00 62.74 ? 820 GLN B NE2 1 ATOM 10376 N N . LEU B 1 739 ? 44.169 23.972 2.138 1.00 27.06 ? 821 LEU B N 1 ATOM 10377 C CA . LEU B 1 739 ? 45.300 23.050 2.054 1.00 24.88 ? 821 LEU B CA 1 ATOM 10378 C C . LEU B 1 739 ? 45.841 22.628 3.420 1.00 24.04 ? 821 LEU B C 1 ATOM 10379 O O . LEU B 1 739 ? 46.659 21.714 3.514 1.00 25.57 ? 821 LEU B O 1 ATOM 10380 C CB . LEU B 1 739 ? 46.424 23.644 1.203 1.00 33.63 ? 821 LEU B CB 1 ATOM 10381 C CG . LEU B 1 739 ? 46.103 23.790 -0.286 1.00 40.14 ? 821 LEU B CG 1 ATOM 10382 C CD1 . LEU B 1 739 ? 47.269 24.416 -1.038 1.00 44.52 ? 821 LEU B CD1 1 ATOM 10383 C CD2 . LEU B 1 739 ? 45.733 22.441 -0.887 1.00 41.02 ? 821 LEU B CD2 1 ATOM 10384 N N . SER B 1 740 ? 45.385 23.297 4.474 1.00 17.87 ? 822 SER B N 1 ATOM 10385 C CA . SER B 1 740 ? 45.815 22.970 5.827 1.00 25.78 ? 822 SER B CA 1 ATOM 10386 C C . SER B 1 740 ? 45.119 21.713 6.337 1.00 41.23 ? 822 SER B C 1 ATOM 10387 O O . SER B 1 740 ? 45.526 21.131 7.342 1.00 55.21 ? 822 SER B O 1 ATOM 10388 C CB . SER B 1 740 ? 45.532 24.143 6.770 1.00 21.95 ? 822 SER B CB 1 ATOM 10389 O OG . SER B 1 740 ? 45.781 25.385 6.132 1.00 31.57 ? 822 SER B OG 1 ATOM 10390 N N . GLU B 1 741 ? 44.072 21.297 5.634 1.00 37.62 ? 823 GLU B N 1 ATOM 10391 C CA . GLU B 1 741 ? 43.262 20.164 6.065 1.00 34.54 ? 823 GLU B CA 1 ATOM 10392 C C . GLU B 1 741 ? 43.504 18.925 5.209 1.00 42.44 ? 823 GLU B C 1 ATOM 10393 O O . GLU B 1 741 ? 43.740 19.023 4.005 1.00 46.46 ? 823 GLU B O 1 ATOM 10394 C CB . GLU B 1 741 ? 41.777 20.526 6.035 1.00 32.12 ? 823 GLU B CB 1 ATOM 10395 C CG . GLU B 1 741 ? 41.394 21.694 6.924 1.00 38.53 ? 823 GLU B CG 1 ATOM 10396 C CD . GLU B 1 741 ? 39.957 22.133 6.715 1.00 49.61 ? 823 GLU B CD 1 ATOM 10397 O OE1 . GLU B 1 741 ? 39.400 21.856 5.632 1.00 51.52 ? 823 GLU B OE1 1 ATOM 10398 O OE2 . GLU B 1 741 ? 39.386 22.754 7.636 1.00 50.53 ? 823 GLU B OE2 1 ATOM 10399 N N . THR B 1 742 ? 43.446 17.760 5.843 1.00 35.40 ? 824 THR B N 1 ATOM 10400 C CA . THR B 1 742 ? 43.530 16.493 5.131 1.00 37.39 ? 824 THR B CA 1 ATOM 10401 C C . THR B 1 742 ? 42.117 16.103 4.701 1.00 41.99 ? 824 THR B C 1 ATOM 10402 O O . THR B 1 742 ? 41.147 16.574 5.294 1.00 45.79 ? 824 THR B O 1 ATOM 10403 C CB . THR B 1 742 ? 44.136 15.388 6.023 1.00 40.51 ? 824 THR B CB 1 ATOM 10404 O OG1 . THR B 1 742 ? 43.260 15.119 7.124 1.00 46.13 ? 824 THR B OG1 1 ATOM 10405 C CG2 . THR B 1 742 ? 45.492 15.821 6.554 1.00 42.03 ? 824 THR B CG2 1 ATOM 10406 N N . PRO B 1 743 ? 41.990 15.239 3.676 1.00 45.31 ? 825 PRO B N 1 ATOM 10407 C CA . PRO B 1 743 ? 40.682 14.787 3.181 1.00 38.88 ? 825 PRO B CA 1 ATOM 10408 C C . PRO B 1 743 ? 39.738 14.227 4.249 1.00 41.32 ? 825 PRO B C 1 ATOM 10409 O O . PRO B 1 743 ? 38.559 14.026 3.960 1.00 42.41 ? 825 PRO B O 1 ATOM 10410 C CB . PRO B 1 743 ? 41.055 13.682 2.193 1.00 39.85 ? 825 PRO B CB 1 ATOM 10411 C CG . PRO B 1 743 ? 42.366 14.106 1.665 1.00 42.98 ? 825 PRO B CG 1 ATOM 10412 C CD . PRO B 1 743 ? 43.087 14.761 2.813 1.00 47.64 ? 825 PRO B CD 1 ATOM 10413 N N . LEU B 1 744 ? 40.243 13.983 5.454 1.00 37.59 ? 826 LEU B N 1 ATOM 10414 C CA . LEU B 1 744 ? 39.416 13.446 6.528 1.00 44.58 ? 826 LEU B CA 1 ATOM 10415 C C . LEU B 1 744 ? 38.844 14.548 7.417 1.00 52.22 ? 826 LEU B C 1 ATOM 10416 O O . LEU B 1 744 ? 38.082 14.274 8.344 1.00 52.68 ? 826 LEU B O 1 ATOM 10417 C CB . LEU B 1 744 ? 40.229 12.461 7.372 1.00 25.80 ? 826 LEU B CB 1 ATOM 10418 C CG . LEU B 1 744 ? 40.894 11.310 6.616 1.00 27.86 ? 826 LEU B CG 1 ATOM 10419 C CD1 . LEU B 1 744 ? 41.693 10.438 7.570 1.00 28.80 ? 826 LEU B CD1 1 ATOM 10420 C CD2 . LEU B 1 744 ? 39.859 10.485 5.867 1.00 35.56 ? 826 LEU B CD2 1 ATOM 10421 N N . GLU B 1 745 ? 39.212 15.794 7.133 1.00 47.76 ? 827 GLU B N 1 ATOM 10422 C CA . GLU B 1 745 ? 38.791 16.921 7.961 1.00 49.28 ? 827 GLU B CA 1 ATOM 10423 C C . GLU B 1 745 ? 38.484 18.165 7.126 1.00 44.62 ? 827 GLU B C 1 ATOM 10424 O O . GLU B 1 745 ? 38.740 19.291 7.555 1.00 46.11 ? 827 GLU B O 1 ATOM 10425 C CB . GLU B 1 745 ? 39.855 17.231 9.017 1.00 52.64 ? 827 GLU B CB 1 ATOM 10426 C CG . GLU B 1 745 ? 41.242 17.508 8.461 1.00 65.34 ? 827 GLU B CG 1 ATOM 10427 C CD . GLU B 1 745 ? 42.297 17.567 9.548 1.00 79.16 ? 827 GLU B CD 1 ATOM 10428 O OE1 . GLU B 1 745 ? 43.451 17.934 9.240 1.00 79.64 ? 827 GLU B OE1 1 ATOM 10429 O OE2 . GLU B 1 745 ? 41.972 17.252 10.713 1.00 82.06 ? 827 GLU B OE2 1 ATOM 10430 N N . CYS B 1 746 ? 37.932 17.954 5.936 1.00 38.30 ? 828 CYS B N 1 ATOM 10431 C CA . CYS B 1 746 ? 37.601 19.059 5.042 1.00 30.57 ? 828 CYS B CA 1 ATOM 10432 C C . CYS B 1 746 ? 36.458 19.904 5.583 1.00 29.71 ? 828 CYS B C 1 ATOM 10433 O O . CYS B 1 746 ? 35.458 19.375 6.063 1.00 35.99 ? 828 CYS B O 1 ATOM 10434 C CB . CYS B 1 746 ? 37.220 18.530 3.658 1.00 17.60 ? 828 CYS B CB 1 ATOM 10435 S SG . CYS B 1 746 ? 38.521 17.617 2.811 1.00 54.18 ? 828 CYS B SG 1 ATOM 10436 N N . SER B 1 747 ? 36.612 21.222 5.502 1.00 30.73 ? 829 SER B N 1 ATOM 10437 C CA . SER B 1 747 ? 35.524 22.138 5.820 1.00 22.94 ? 829 SER B CA 1 ATOM 10438 C C . SER B 1 747 ? 34.681 22.350 4.570 1.00 20.23 ? 829 SER B C 1 ATOM 10439 O O . SER B 1 747 ? 33.453 22.420 4.634 1.00 14.95 ? 829 SER B O 1 ATOM 10440 C CB . SER B 1 747 ? 36.076 23.474 6.315 1.00 20.33 ? 829 SER B CB 1 ATOM 10441 O OG . SER B 1 747 ? 36.839 23.301 7.496 1.00 27.09 ? 829 SER B OG 1 ATOM 10442 N N . ALA B 1 748 ? 35.359 22.450 3.431 1.00 17.72 ? 830 ALA B N 1 ATOM 10443 C CA . ALA B 1 748 ? 34.698 22.513 2.133 1.00 14.02 ? 830 ALA B CA 1 ATOM 10444 C C . ALA B 1 748 ? 35.406 21.575 1.162 1.00 19.71 ? 830 ALA B C 1 ATOM 10445 O O . ALA B 1 748 ? 36.586 21.272 1.334 1.00 27.50 ? 830 ALA B O 1 ATOM 10446 C CB . ALA B 1 748 ? 34.703 23.939 1.598 1.00 14.72 ? 830 ALA B CB 1 ATOM 10447 N N . LEU B 1 749 ? 34.690 21.119 0.139 1.00 18.13 ? 831 LEU B N 1 ATOM 10448 C CA . LEU B 1 749 ? 35.235 20.121 -0.777 1.00 21.98 ? 831 LEU B CA 1 ATOM 10449 C C . LEU B 1 749 ? 35.843 20.702 -2.055 1.00 29.86 ? 831 LEU B C 1 ATOM 10450 O O . LEU B 1 749 ? 35.551 21.831 -2.449 1.00 23.42 ? 831 LEU B O 1 ATOM 10451 C CB . LEU B 1 749 ? 34.167 19.086 -1.137 1.00 13.08 ? 831 LEU B CB 1 ATOM 10452 C CG . LEU B 1 749 ? 33.658 18.224 0.019 1.00 19.21 ? 831 LEU B CG 1 ATOM 10453 C CD1 . LEU B 1 749 ? 32.688 17.168 -0.488 1.00 18.15 ? 831 LEU B CD1 1 ATOM 10454 C CD2 . LEU B 1 749 ? 34.822 17.577 0.755 1.00 7.95 ? 831 LEU B CD2 1 ATOM 10455 N N . GLU B 1 750 ? 36.696 19.904 -2.689 1.00 31.91 ? 832 GLU B N 1 ATOM 10456 C CA . GLU B 1 750 ? 37.321 20.249 -3.959 1.00 30.75 ? 832 GLU B CA 1 ATOM 10457 C C . GLU B 1 750 ? 37.266 19.026 -4.865 1.00 37.10 ? 832 GLU B C 1 ATOM 10458 O O . GLU B 1 750 ? 38.167 18.188 -4.841 1.00 46.90 ? 832 GLU B O 1 ATOM 10459 C CB . GLU B 1 750 ? 38.772 20.674 -3.737 1.00 41.04 ? 832 GLU B CB 1 ATOM 10460 C CG . GLU B 1 750 ? 39.456 21.231 -4.974 1.00 61.76 ? 832 GLU B CG 1 ATOM 10461 C CD . GLU B 1 750 ? 39.043 22.654 -5.282 1.00 79.35 ? 832 GLU B CD 1 ATOM 10462 O OE1 . GLU B 1 750 ? 39.203 23.081 -6.445 1.00 88.18 ? 832 GLU B OE1 1 ATOM 10463 O OE2 . GLU B 1 750 ? 38.560 23.348 -4.363 1.00 75.43 ? 832 GLU B OE2 1 ATOM 10464 N N . SER B 1 751 ? 36.211 18.926 -5.667 1.00 36.57 ? 833 SER B N 1 ATOM 10465 C CA . SER B 1 751 ? 36.003 17.735 -6.482 1.00 34.68 ? 833 SER B CA 1 ATOM 10466 C C . SER B 1 751 ? 36.499 17.883 -7.918 1.00 38.30 ? 833 SER B C 1 ATOM 10467 O O . SER B 1 751 ? 36.508 18.979 -8.481 1.00 38.51 ? 833 SER B O 1 ATOM 10468 C CB . SER B 1 751 ? 34.526 17.335 -6.490 1.00 32.70 ? 833 SER B CB 1 ATOM 10469 O OG . SER B 1 751 ? 34.126 16.843 -5.222 1.00 42.19 ? 833 SER B OG 1 ATOM 10470 N N . SER B 1 752 ? 36.906 16.760 -8.502 1.00 43.31 ? 834 SER B N 1 ATOM 10471 C CA . SER B 1 752 ? 37.280 16.694 -9.909 1.00 39.51 ? 834 SER B CA 1 ATOM 10472 C C . SER B 1 752 ? 37.108 15.268 -10.417 1.00 37.45 ? 834 SER B C 1 ATOM 10473 O O . SER B 1 752 ? 37.785 14.347 -9.956 1.00 33.37 ? 834 SER B O 1 ATOM 10474 C CB . SER B 1 752 ? 38.722 17.166 -10.112 1.00 29.22 ? 834 SER B CB 1 ATOM 10475 O OG . SER B 1 752 ? 39.632 16.344 -9.401 1.00 41.89 ? 834 SER B OG 1 ATOM 10476 N N . ALA B 1 753 ? 36.200 15.088 -11.369 1.00 34.63 ? 835 ALA B N 1 ATOM 10477 C CA . ALA B 1 753 ? 35.904 13.762 -11.893 1.00 32.52 ? 835 ALA B CA 1 ATOM 10478 C C . ALA B 1 753 ? 36.430 13.569 -13.308 1.00 34.47 ? 835 ALA B C 1 ATOM 10479 O O . ALA B 1 753 ? 36.631 14.531 -14.050 1.00 26.59 ? 835 ALA B O 1 ATOM 10480 C CB . ALA B 1 753 ? 34.406 13.500 -11.849 1.00 30.16 ? 835 ALA B CB 1 ATOM 10481 N N . TYR B 1 754 ? 36.652 12.311 -13.669 1.00 38.70 ? 836 TYR B N 1 ATOM 10482 C CA . TYR B 1 754 ? 37.105 11.957 -15.005 1.00 30.92 ? 836 TYR B CA 1 ATOM 10483 C C . TYR B 1 754 ? 36.364 10.714 -15.471 1.00 29.29 ? 836 TYR B C 1 ATOM 10484 O O . TYR B 1 754 ? 36.139 9.789 -14.691 1.00 30.09 ? 836 TYR B O 1 ATOM 10485 C CB . TYR B 1 754 ? 38.612 11.684 -15.016 1.00 25.54 ? 836 TYR B CB 1 ATOM 10486 C CG . TYR B 1 754 ? 39.462 12.801 -14.455 1.00 25.16 ? 836 TYR B CG 1 ATOM 10487 C CD1 . TYR B 1 754 ? 39.791 12.839 -13.106 1.00 25.72 ? 836 TYR B CD1 1 ATOM 10488 C CD2 . TYR B 1 754 ? 39.944 13.811 -15.276 1.00 25.96 ? 836 TYR B CD2 1 ATOM 10489 C CE1 . TYR B 1 754 ? 40.571 13.857 -12.590 1.00 32.92 ? 836 TYR B CE1 1 ATOM 10490 C CE2 . TYR B 1 754 ? 40.724 14.833 -14.770 1.00 30.35 ? 836 TYR B CE2 1 ATOM 10491 C CZ . TYR B 1 754 ? 41.035 14.851 -13.427 1.00 34.82 ? 836 TYR B CZ 1 ATOM 10492 O OH . TYR B 1 754 ? 41.812 15.865 -12.920 1.00 41.13 ? 836 TYR B OH 1 ATOM 10493 N N . ILE B 1 755 ? 35.986 10.696 -16.745 1.00 30.75 ? 837 ILE B N 1 ATOM 10494 C CA . ILE B 1 755 ? 35.419 9.500 -17.353 1.00 22.96 ? 837 ILE B CA 1 ATOM 10495 C C . ILE B 1 755 ? 36.291 9.083 -18.530 1.00 23.91 ? 837 ILE B C 1 ATOM 10496 O O . ILE B 1 755 ? 36.132 9.579 -19.647 1.00 23.15 ? 837 ILE B O 1 ATOM 10497 C CB . ILE B 1 755 ? 33.959 9.713 -17.803 1.00 22.94 ? 837 ILE B CB 1 ATOM 10498 C CG1 . ILE B 1 755 ? 33.111 10.206 -16.631 1.00 18.16 ? 837 ILE B CG1 1 ATOM 10499 C CG2 . ILE B 1 755 ? 33.380 8.437 -18.397 1.00 13.25 ? 837 ILE B CG2 1 ATOM 10500 C CD1 . ILE B 1 755 ? 31.639 10.336 -16.955 1.00 17.24 ? 837 ILE B CD1 1 ATOM 10501 N N . LEU B 1 756 ? 37.221 8.170 -18.267 1.00 22.83 ? 838 LEU B N 1 ATOM 10502 C CA . LEU B 1 756 ? 38.215 7.773 -19.257 1.00 34.04 ? 838 LEU B CA 1 ATOM 10503 C C . LEU B 1 756 ? 37.706 6.670 -20.174 1.00 42.27 ? 838 LEU B C 1 ATOM 10504 O O . LEU B 1 756 ? 37.229 5.641 -19.704 1.00 49.59 ? 838 LEU B O 1 ATOM 10505 C CB . LEU B 1 756 ? 39.503 7.312 -18.564 1.00 28.81 ? 838 LEU B CB 1 ATOM 10506 C CG . LEU B 1 756 ? 40.225 8.281 -17.619 1.00 28.93 ? 838 LEU B CG 1 ATOM 10507 C CD1 . LEU B 1 756 ? 40.206 9.700 -18.178 1.00 32.68 ? 838 LEU B CD1 1 ATOM 10508 C CD2 . LEU B 1 756 ? 39.659 8.238 -16.208 1.00 33.41 ? 838 LEU B CD2 1 ATOM 10509 N N . PRO B 1 757 ? 37.822 6.883 -21.493 1.00 40.55 ? 839 PRO B N 1 ATOM 10510 C CA . PRO B 1 757 ? 37.399 5.899 -22.494 1.00 39.14 ? 839 PRO B CA 1 ATOM 10511 C C . PRO B 1 757 ? 38.276 4.652 -22.455 1.00 30.34 ? 839 PRO B C 1 ATOM 10512 O O . PRO B 1 757 ? 39.504 4.747 -22.437 1.00 30.68 ? 839 PRO B O 1 ATOM 10513 C CB . PRO B 1 757 ? 37.584 6.642 -23.819 1.00 44.29 ? 839 PRO B CB 1 ATOM 10514 C CG . PRO B 1 757 ? 38.619 7.674 -23.530 1.00 39.75 ? 839 PRO B CG 1 ATOM 10515 C CD . PRO B 1 757 ? 38.376 8.098 -22.114 1.00 36.37 ? 839 PRO B CD 1 ATOM 10516 N N . HIS B 1 758 ? 37.636 3.490 -22.436 1.00 29.92 ? 840 HIS B N 1 ATOM 10517 C CA . HIS B 1 758 ? 38.340 2.216 -22.412 1.00 39.15 ? 840 HIS B CA 1 ATOM 10518 C C . HIS B 1 758 ? 38.544 1.691 -23.830 1.00 38.85 ? 840 HIS B C 1 ATOM 10519 O O . HIS B 1 758 ? 37.666 1.039 -24.394 1.00 27.13 ? 840 HIS B O 1 ATOM 10520 C CB . HIS B 1 758 ? 37.561 1.196 -21.584 1.00 42.28 ? 840 HIS B CB 1 ATOM 10521 C CG . HIS B 1 758 ? 38.368 -0.001 -21.190 1.00 44.59 ? 840 HIS B CG 1 ATOM 10522 N ND1 . HIS B 1 758 ? 37.801 -1.229 -20.925 1.00 45.28 ? 840 HIS B ND1 1 ATOM 10523 C CD2 . HIS B 1 758 ? 39.701 -0.155 -21.009 1.00 43.35 ? 840 HIS B CD2 1 ATOM 10524 C CE1 . HIS B 1 758 ? 38.751 -2.089 -20.600 1.00 41.39 ? 840 HIS B CE1 1 ATOM 10525 N NE2 . HIS B 1 758 ? 39.912 -1.461 -20.643 1.00 40.69 ? 840 HIS B NE2 1 ATOM 10526 N N . ARG B 1 759 ? 39.709 1.978 -24.400 1.00 46.82 ? 841 ARG B N 1 ATOM 10527 C CA . ARG B 1 759 ? 39.996 1.622 -25.785 1.00 55.75 ? 841 ARG B CA 1 ATOM 10528 C C . ARG B 1 759 ? 41.018 0.493 -25.875 1.00 59.38 ? 841 ARG B C 1 ATOM 10529 O O . ARG B 1 759 ? 41.941 0.421 -25.062 1.00 65.18 ? 841 ARG B O 1 ATOM 10530 C CB . ARG B 1 759 ? 40.511 2.846 -26.547 1.00 65.62 ? 841 ARG B CB 1 ATOM 10531 C CG . ARG B 1 759 ? 39.531 3.993 -26.744 1.00 66.16 ? 841 ARG B CG 1 ATOM 10532 C CD . ARG B 1 759 ? 38.432 3.650 -27.730 1.00 74.07 ? 841 ARG B CD 1 ATOM 10533 N NE . ARG B 1 759 ? 38.044 4.831 -28.500 1.00 83.05 ? 841 ARG B NE 1 ATOM 10534 C CZ . ARG B 1 759 ? 38.760 5.346 -29.497 1.00 86.66 ? 841 ARG B CZ 1 ATOM 10535 N NH1 . ARG B 1 759 ? 39.911 4.791 -29.851 1.00 88.98 ? 841 ARG B NH1 1 ATOM 10536 N NH2 . ARG B 1 759 ? 38.329 6.424 -30.140 1.00 84.41 ? 841 ARG B NH2 1 ATOM 10537 N N . PRO B 1 760 ? 40.855 -0.396 -26.867 1.00 53.06 ? 842 PRO B N 1 ATOM 10538 C CA . PRO B 1 760 ? 41.796 -1.495 -27.115 1.00 43.63 ? 842 PRO B CA 1 ATOM 10539 C C . PRO B 1 760 ? 43.144 -0.985 -27.608 1.00 46.44 ? 842 PRO B C 1 ATOM 10540 O O . PRO B 1 760 ? 44.148 -1.692 -27.521 1.00 52.94 ? 842 PRO B O 1 ATOM 10541 C CB . PRO B 1 760 ? 41.110 -2.301 -28.222 1.00 47.52 ? 842 PRO B CB 1 ATOM 10542 C CG . PRO B 1 760 ? 39.671 -1.914 -28.151 1.00 53.21 ? 842 PRO B CG 1 ATOM 10543 C CD . PRO B 1 760 ? 39.673 -0.481 -27.739 1.00 53.28 ? 842 PRO B CD 1 ATOM 10544 N N . ASP B 1 761 ? 43.154 0.241 -28.121 1.00 51.20 ? 843 ASP B N 1 ATOM 10545 C CA . ASP B 1 761 ? 44.371 0.872 -28.615 1.00 56.54 ? 843 ASP B CA 1 ATOM 10546 C C . ASP B 1 761 ? 44.437 2.350 -28.239 1.00 52.33 ? 843 ASP B C 1 ATOM 10547 O O . ASP B 1 761 ? 43.482 2.903 -27.699 1.00 46.61 ? 843 ASP B O 1 ATOM 10548 C CB . ASP B 1 761 ? 44.483 0.704 -30.133 1.00 63.78 ? 843 ASP B CB 1 ATOM 10549 C CG . ASP B 1 761 ? 43.180 1.007 -30.852 1.00 72.89 ? 843 ASP B CG 1 ATOM 10550 O OD1 . ASP B 1 761 ? 42.459 1.937 -30.430 1.00 67.97 ? 843 ASP B OD1 1 ATOM 10551 O OD2 . ASP B 1 761 ? 42.872 0.308 -31.840 1.00 78.86 ? 843 ASP B OD2 1 ATOM 10552 N N . ASN B 1 762 ? 45.569 2.984 -28.527 1.00 50.02 ? 844 ASN B N 1 ATOM 10553 C CA . ASN B 1 762 ? 45.746 4.397 -28.216 1.00 48.24 ? 844 ASN B CA 1 ATOM 10554 C C . ASN B 1 762 ? 45.853 5.262 -29.470 1.00 45.34 ? 844 ASN B C 1 ATOM 10555 O O . ASN B 1 762 ? 46.749 6.099 -29.583 1.00 48.79 ? 844 ASN B O 1 ATOM 10556 C CB . ASN B 1 762 ? 46.969 4.602 -27.319 1.00 52.93 ? 844 ASN B CB 1 ATOM 10557 C CG . ASN B 1 762 ? 46.772 4.036 -25.926 1.00 60.25 ? 844 ASN B CG 1 ATOM 10558 O OD1 . ASN B 1 762 ? 45.658 3.682 -25.539 1.00 63.61 ? 844 ASN B OD1 1 ATOM 10559 N ND2 . ASN B 1 762 ? 47.856 3.946 -25.165 1.00 63.62 ? 844 ASN B ND2 1 ATOM 10560 N N . ILE B 1 763 ? 44.936 5.050 -30.408 1.00 36.38 ? 845 ILE B N 1 ATOM 10561 C CA . ILE B 1 763 ? 44.922 5.811 -31.652 1.00 41.07 ? 845 ILE B CA 1 ATOM 10562 C C . ILE B 1 763 ? 44.481 7.248 -31.398 1.00 48.44 ? 845 ILE B C 1 ATOM 10563 O O . ILE B 1 763 ? 44.916 8.174 -32.084 1.00 55.82 ? 845 ILE B O 1 ATOM 10564 C CB . ILE B 1 763 ? 43.983 5.172 -32.694 1.00 39.35 ? 845 ILE B CB 1 ATOM 10565 C CG1 . ILE B 1 763 ? 44.215 3.662 -32.765 1.00 47.09 ? 845 ILE B CG1 1 ATOM 10566 C CG2 . ILE B 1 763 ? 44.191 5.798 -34.063 1.00 30.90 ? 845 ILE B CG2 1 ATOM 10567 N N . GLU B 1 764 ? 43.616 7.422 -30.404 1.00 46.39 ? 846 GLU B N 1 ATOM 10568 C CA . GLU B 1 764 ? 43.095 8.738 -30.050 1.00 45.56 ? 846 GLU B CA 1 ATOM 10569 C C . GLU B 1 764 ? 44.200 9.681 -29.585 1.00 44.45 ? 846 GLU B C 1 ATOM 10570 O O . GLU B 1 764 ? 44.141 10.888 -29.821 1.00 36.68 ? 846 GLU B O 1 ATOM 10571 C CB . GLU B 1 764 ? 42.037 8.601 -28.951 1.00 47.99 ? 846 GLU B CB 1 ATOM 10572 C CG . GLU B 1 764 ? 41.446 9.921 -28.477 1.00 48.27 ? 846 GLU B CG 1 ATOM 10573 C CD . GLU B 1 764 ? 40.515 9.753 -27.291 1.00 49.05 ? 846 GLU B CD 1 ATOM 10574 O OE1 . GLU B 1 764 ? 40.346 8.609 -26.819 1.00 55.50 ? 846 GLU B OE1 1 ATOM 10575 O OE2 . GLU B 1 764 ? 39.954 10.767 -26.827 1.00 48.59 ? 846 GLU B OE2 1 ATOM 10576 N N . SER B 1 765 ? 45.214 9.125 -28.933 1.00 46.97 ? 847 SER B N 1 ATOM 10577 C CA . SER B 1 765 ? 46.250 9.938 -28.310 1.00 48.09 ? 847 SER B CA 1 ATOM 10578 C C . SER B 1 765 ? 47.423 10.229 -29.242 1.00 49.95 ? 847 SER B C 1 ATOM 10579 O O . SER B 1 765 ? 48.176 11.178 -29.019 1.00 53.49 ? 847 SER B O 1 ATOM 10580 C CB . SER B 1 765 ? 46.757 9.256 -27.039 1.00 44.63 ? 847 SER B CB 1 ATOM 10581 O OG . SER B 1 765 ? 45.695 8.997 -26.137 1.00 41.99 ? 847 SER B OG 1 ATOM 10582 N N . CYS B 1 766 ? 47.561 9.407 -30.279 1.00 48.69 ? 848 CYS B N 1 ATOM 10583 C CA . CYS B 1 766 ? 48.700 9.466 -31.195 1.00 50.38 ? 848 CYS B CA 1 ATOM 10584 C C . CYS B 1 766 ? 50.002 9.370 -30.410 1.00 59.55 ? 848 CYS B C 1 ATOM 10585 O O . CYS B 1 766 ? 50.810 10.299 -30.445 1.00 56.71 ? 848 CYS B O 1 ATOM 10586 C CB . CYS B 1 766 ? 48.674 10.742 -32.048 1.00 41.91 ? 848 CYS B CB 1 ATOM 10587 S SG . CYS B 1 766 ? 47.260 10.931 -33.150 1.00 82.08 ? 848 CYS B SG 1 ATOM 10588 N N . THR B 1 767 ? 50.211 8.269 -29.692 1.00 72.59 ? 849 THR B N 1 ATOM 10589 C CA . THR B 1 767 ? 51.396 8.205 -28.847 1.00 86.18 ? 849 THR B CA 1 ATOM 10590 C C . THR B 1 767 ? 52.734 8.253 -29.585 1.00 100.55 ? 849 THR B C 1 ATOM 10591 O O . THR B 1 767 ? 53.705 8.804 -29.063 1.00 104.17 ? 849 THR B O 1 ATOM 10592 C CB . THR B 1 767 ? 51.359 6.909 -28.000 1.00 89.71 ? 849 THR B CB 1 ATOM 10593 O OG1 . THR B 1 767 ? 50.077 6.779 -27.372 1.00 85.55 ? 849 THR B OG1 1 ATOM 10594 C CG2 . THR B 1 767 ? 52.445 6.915 -26.936 1.00 100.94 ? 849 THR B CG2 1 ATOM 10595 N N . HIS B 1 768 ? 52.793 7.683 -30.788 1.00 108.23 ? 850 HIS B N 1 ATOM 10596 C CA . HIS B 1 768 ? 54.043 7.692 -31.546 1.00 107.34 ? 850 HIS B CA 1 ATOM 10597 C C . HIS B 1 768 ? 54.581 9.099 -31.791 1.00 96.91 ? 850 HIS B C 1 ATOM 10598 O O . HIS B 1 768 ? 53.997 9.837 -32.583 1.00 96.27 ? 850 HIS B O 1 ATOM 10599 C CB . HIS B 1 768 ? 53.838 6.967 -32.874 1.00 114.95 ? 850 HIS B CB 1 ATOM 10600 C CG . HIS B 1 768 ? 52.464 7.138 -33.440 1.00 123.23 ? 850 HIS B CG 1 ATOM 10601 N ND1 . HIS B 1 768 ? 51.429 6.274 -33.152 1.00 124.75 ? 850 HIS B ND1 1 ATOM 10602 C CD2 . HIS B 1 768 ? 51.947 8.086 -34.257 1.00 125.98 ? 850 HIS B CD2 1 ATOM 10603 C CE1 . HIS B 1 768 ? 50.337 6.676 -33.777 1.00 125.32 ? 850 HIS B CE1 1 ATOM 10604 N NE2 . HIS B 1 768 ? 50.624 7.773 -34.454 1.00 126.11 ? 850 HIS B NE2 1 ATOM 10605 N N . GLY B 1 769 ? 55.675 9.489 -31.153 1.00 91.03 ? 851 GLY B N 1 ATOM 10606 C CA . GLY B 1 769 ? 56.131 10.851 -31.354 1.00 96.32 ? 851 GLY B CA 1 ATOM 10607 C C . GLY B 1 769 ? 56.163 11.734 -30.129 1.00 102.99 ? 851 GLY B C 1 ATOM 10608 O O . GLY B 1 769 ? 56.828 12.770 -30.112 1.00 104.14 ? 851 GLY B O 1 ATOM 10609 N N . LYS B 1 770 ? 55.448 11.310 -29.092 1.00 104.36 ? 852 LYS B N 1 ATOM 10610 C CA . LYS B 1 770 ? 55.397 12.067 -27.850 1.00 94.09 ? 852 LYS B CA 1 ATOM 10611 C C . LYS B 1 770 ? 55.937 11.367 -26.620 1.00 86.09 ? 852 LYS B C 1 ATOM 10612 O O . LYS B 1 770 ? 56.339 10.204 -26.661 1.00 82.08 ? 852 LYS B O 1 ATOM 10613 C CB . LYS B 1 770 ? 53.957 12.521 -27.584 1.00 88.71 ? 852 LYS B CB 1 ATOM 10614 N N . ARG B 1 771 ? 55.934 12.110 -25.521 1.00 84.21 ? 853 ARG B N 1 ATOM 10615 C CA . ARG B 1 771 ? 56.355 11.599 -24.232 1.00 79.66 ? 853 ARG B CA 1 ATOM 10616 C C . ARG B 1 771 ? 55.154 11.114 -23.437 1.00 73.40 ? 853 ARG B C 1 ATOM 10617 O O . ARG B 1 771 ? 54.062 11.678 -23.533 1.00 68.02 ? 853 ARG B O 1 ATOM 10618 C CB . ARG B 1 771 ? 57.108 12.678 -23.453 1.00 70.62 ? 853 ARG B CB 1 ATOM 10619 N N . GLU B 1 772 ? 55.367 10.060 -22.658 1.00 71.63 ? 854 GLU B N 1 ATOM 10620 C CA . GLU B 1 772 ? 54.297 9.396 -21.929 1.00 72.93 ? 854 GLU B CA 1 ATOM 10621 C C . GLU B 1 772 ? 53.641 10.346 -20.936 1.00 74.21 ? 854 GLU B C 1 ATOM 10622 O O . GLU B 1 772 ? 52.425 10.325 -20.749 1.00 71.69 ? 854 GLU B O 1 ATOM 10623 C CB . GLU B 1 772 ? 54.803 8.137 -21.225 1.00 76.85 ? 854 GLU B CB 1 ATOM 10624 C CG . GLU B 1 772 ? 53.713 7.315 -20.565 1.00 75.70 ? 854 GLU B CG 1 ATOM 10625 C CD . GLU B 1 772 ? 54.253 6.063 -19.910 1.00 83.65 ? 854 GLU B CD 1 ATOM 10626 O OE1 . GLU B 1 772 ? 53.443 5.193 -19.527 1.00 82.82 ? 854 GLU B OE1 1 ATOM 10627 O OE2 . GLU B 1 772 ? 55.491 5.944 -19.784 1.00 89.40 ? 854 GLU B OE2 1 ATOM 10628 N N . SER B 1 773 ? 54.458 11.180 -20.302 1.00 76.95 ? 855 SER B N 1 ATOM 10629 C CA . SER B 1 773 ? 53.963 12.108 -19.295 1.00 71.43 ? 855 SER B CA 1 ATOM 10630 C C . SER B 1 773 ? 53.111 13.212 -19.917 1.00 70.07 ? 855 SER B C 1 ATOM 10631 O O . SER B 1 773 ? 52.420 13.945 -19.211 1.00 73.94 ? 855 SER B O 1 ATOM 10632 C CB . SER B 1 773 ? 55.124 12.718 -18.503 1.00 63.34 ? 855 SER B CB 1 ATOM 10633 O OG . SER B 1 773 ? 55.963 13.493 -19.342 1.00 65.43 ? 855 SER B OG 1 ATOM 10634 N N . SER B 1 774 ? 53.167 13.332 -21.240 1.00 67.55 ? 856 SER B N 1 ATOM 10635 C CA . SER B 1 774 ? 52.435 14.387 -21.932 1.00 67.92 ? 856 SER B CA 1 ATOM 10636 C C . SER B 1 774 ? 51.045 13.960 -22.412 1.00 60.86 ? 856 SER B C 1 ATOM 10637 O O . SER B 1 774 ? 50.045 14.569 -22.036 1.00 58.23 ? 856 SER B O 1 ATOM 10638 C CB . SER B 1 774 ? 53.254 14.914 -23.112 1.00 78.52 ? 856 SER B CB 1 ATOM 10639 O OG . SER B 1 774 ? 53.529 13.880 -24.041 1.00 90.71 ? 856 SER B OG 1 ATOM 10640 N N . TRP B 1 775 ? 50.983 12.912 -23.233 1.00 58.54 ? 857 TRP B N 1 ATOM 10641 C CA . TRP B 1 775 ? 49.721 12.526 -23.870 1.00 51.20 ? 857 TRP B CA 1 ATOM 10642 C C . TRP B 1 775 ? 48.688 11.951 -22.902 1.00 48.70 ? 857 TRP B C 1 ATOM 10643 O O . TRP B 1 775 ? 47.484 12.055 -23.135 1.00 51.65 ? 857 TRP B O 1 ATOM 10644 C CB . TRP B 1 775 ? 49.952 11.557 -25.035 1.00 49.67 ? 857 TRP B CB 1 ATOM 10645 C CG . TRP B 1 775 ? 50.483 10.220 -24.630 1.00 47.41 ? 857 TRP B CG 1 ATOM 10646 C CD1 . TRP B 1 775 ? 51.788 9.827 -24.602 1.00 50.87 ? 857 TRP B CD1 1 ATOM 10647 C CD2 . TRP B 1 775 ? 49.713 9.083 -24.218 1.00 43.21 ? 857 TRP B CD2 1 ATOM 10648 N NE1 . TRP B 1 775 ? 51.880 8.522 -24.185 1.00 46.04 ? 857 TRP B NE1 1 ATOM 10649 C CE2 . TRP B 1 775 ? 50.620 8.041 -23.946 1.00 38.52 ? 857 TRP B CE2 1 ATOM 10650 C CE3 . TRP B 1 775 ? 48.345 8.847 -24.047 1.00 43.10 ? 857 TRP B CE3 1 ATOM 10651 C CZ2 . TRP B 1 775 ? 50.204 6.783 -23.513 1.00 39.75 ? 857 TRP B CZ2 1 ATOM 10652 C CZ3 . TRP B 1 775 ? 47.933 7.598 -23.619 1.00 40.95 ? 857 TRP B CZ3 1 ATOM 10653 C CH2 . TRP B 1 775 ? 48.860 6.583 -23.356 1.00 44.37 ? 857 TRP B CH2 1 ATOM 10654 N N . VAL B 1 776 ? 49.165 11.347 -21.819 1.00 51.70 ? 858 VAL B N 1 ATOM 10655 C CA . VAL B 1 776 ? 48.280 10.758 -20.819 1.00 47.05 ? 858 VAL B CA 1 ATOM 10656 C C . VAL B 1 776 ? 47.510 11.849 -20.089 1.00 49.58 ? 858 VAL B C 1 ATOM 10657 O O . VAL B 1 776 ? 46.285 11.787 -19.968 1.00 50.83 ? 858 VAL B O 1 ATOM 10658 C CB . VAL B 1 776 ? 49.034 9.872 -19.811 1.00 36.71 ? 858 VAL B CB 1 ATOM 10659 C CG1 . VAL B 1 776 ? 48.091 9.394 -18.717 1.00 27.59 ? 858 VAL B CG1 1 ATOM 10660 C CG2 . VAL B 1 776 ? 49.663 8.686 -20.520 1.00 40.47 ? 858 VAL B CG2 1 ATOM 10661 N N . GLU B 1 777 ? 48.241 12.843 -19.595 1.00 46.58 ? 859 GLU B N 1 ATOM 10662 C CA . GLU B 1 777 ? 47.638 13.966 -18.892 1.00 52.92 ? 859 GLU B CA 1 ATOM 10663 C C . GLU B 1 777 ? 46.669 14.719 -19.800 1.00 53.91 ? 859 GLU B C 1 ATOM 10664 O O . GLU B 1 777 ? 45.656 15.246 -19.340 1.00 62.20 ? 859 GLU B O 1 ATOM 10665 C CB . GLU B 1 777 ? 48.706 14.923 -18.356 1.00 58.58 ? 859 GLU B CB 1 ATOM 10666 C CG . GLU B 1 777 ? 49.571 14.340 -17.250 1.00 69.49 ? 859 GLU B CG 1 ATOM 10667 C CD . GLU B 1 777 ? 50.365 15.400 -16.515 1.00 74.68 ? 859 GLU B CD 1 ATOM 10668 O OE1 . GLU B 1 777 ? 51.511 15.111 -16.110 1.00 80.47 ? 859 GLU B OE1 1 ATOM 10669 O OE2 . GLU B 1 777 ? 49.846 16.524 -16.347 1.00 72.40 ? 859 GLU B OE2 1 ATOM 10670 N N . GLU B 1 778 ? 46.986 14.764 -21.091 1.00 43.95 ? 860 GLU B N 1 ATOM 10671 C CA . GLU B 1 778 ? 46.123 15.421 -22.066 1.00 40.16 ? 860 GLU B CA 1 ATOM 10672 C C . GLU B 1 778 ? 44.841 14.629 -22.298 1.00 36.82 ? 860 GLU B C 1 ATOM 10673 O O . GLU B 1 778 ? 43.807 15.196 -22.647 1.00 41.18 ? 860 GLU B O 1 ATOM 10674 C CB . GLU B 1 778 ? 46.863 15.634 -23.389 1.00 48.37 ? 860 GLU B CB 1 ATOM 10675 C CG . GLU B 1 778 ? 48.007 16.632 -23.308 1.00 67.11 ? 860 GLU B CG 1 ATOM 10676 C CD . GLU B 1 778 ? 48.668 16.875 -24.651 1.00 83.32 ? 860 GLU B CD 1 ATOM 10677 O OE1 . GLU B 1 778 ? 49.636 17.663 -24.703 1.00 84.54 ? 860 GLU B OE1 1 ATOM 10678 O OE2 . GLU B 1 778 ? 48.221 16.277 -25.654 1.00 90.12 ? 860 GLU B OE2 1 ATOM 10679 N N . LEU B 1 779 ? 44.914 13.316 -22.103 1.00 31.43 ? 861 LEU B N 1 ATOM 10680 C CA . LEU B 1 779 ? 43.742 12.461 -22.246 1.00 29.23 ? 861 LEU B CA 1 ATOM 10681 C C . LEU B 1 779 ? 42.860 12.592 -21.011 1.00 41.75 ? 861 LEU B C 1 ATOM 10682 O O . LEU B 1 779 ? 41.631 12.606 -21.108 1.00 39.76 ? 861 LEU B O 1 ATOM 10683 C CB . LEU B 1 779 ? 44.152 11.003 -22.453 1.00 19.00 ? 861 LEU B CB 1 ATOM 10684 C CG . LEU B 1 779 ? 42.993 10.045 -22.737 1.00 25.43 ? 861 LEU B CG 1 ATOM 10685 C CD1 . LEU B 1 779 ? 42.297 10.415 -24.037 1.00 25.99 ? 861 LEU B CD1 1 ATOM 10686 C CD2 . LEU B 1 779 ? 43.476 8.607 -22.781 1.00 29.65 ? 861 LEU B CD2 1 ATOM 10687 N N . LEU B 1 780 ? 43.501 12.670 -19.849 1.00 41.78 ? 862 LEU B N 1 ATOM 10688 C CA . LEU B 1 780 ? 42.799 12.863 -18.588 1.00 31.34 ? 862 LEU B CA 1 ATOM 10689 C C . LEU B 1 780 ? 42.037 14.185 -18.624 1.00 29.05 ? 862 LEU B C 1 ATOM 10690 O O . LEU B 1 780 ? 40.845 14.237 -18.323 1.00 36.68 ? 862 LEU B O 1 ATOM 10691 C CB . LEU B 1 780 ? 43.783 12.860 -17.412 1.00 38.26 ? 862 LEU B CB 1 ATOM 10692 C CG . LEU B 1 780 ? 43.947 11.576 -16.591 1.00 44.38 ? 862 LEU B CG 1 ATOM 10693 C CD1 . LEU B 1 780 ? 42.651 11.207 -15.891 1.00 53.36 ? 862 LEU B CD1 1 ATOM 10694 C CD2 . LEU B 1 780 ? 44.437 10.427 -17.462 1.00 47.56 ? 862 LEU B CD2 1 ATOM 10695 N N . THR B 1 781 ? 42.742 15.249 -18.997 1.00 23.64 ? 863 THR B N 1 ATOM 10696 C CA . THR B 1 781 ? 42.178 16.595 -19.024 1.00 24.39 ? 863 THR B CA 1 ATOM 10697 C C . THR B 1 781 ? 41.041 16.726 -20.037 1.00 33.53 ? 863 THR B C 1 ATOM 10698 O O . THR B 1 781 ? 40.053 17.421 -19.791 1.00 35.69 ? 863 THR B O 1 ATOM 10699 C CB . THR B 1 781 ? 43.277 17.640 -19.321 1.00 20.28 ? 863 THR B CB 1 ATOM 10700 O OG1 . THR B 1 781 ? 44.242 17.631 -18.261 1.00 26.29 ? 863 THR B OG1 1 ATOM 10701 C CG2 . THR B 1 781 ? 42.687 19.034 -19.450 1.00 11.31 ? 863 THR B CG2 1 ATOM 10702 N N . LEU B 1 782 ? 41.172 16.034 -21.164 1.00 32.96 ? 864 LEU B N 1 ATOM 10703 C CA . LEU B 1 782 ? 40.165 16.099 -22.217 1.00 30.95 ? 864 LEU B CA 1 ATOM 10704 C C . LEU B 1 782 ? 38.885 15.407 -21.772 1.00 29.87 ? 864 LEU B C 1 ATOM 10705 O O . LEU B 1 782 ? 37.783 15.835 -22.114 1.00 30.00 ? 864 LEU B O 1 ATOM 10706 C CB . LEU B 1 782 ? 40.690 15.465 -23.508 1.00 35.76 ? 864 LEU B CB 1 ATOM 10707 C CG . LEU B 1 782 ? 39.759 15.509 -24.722 1.00 37.77 ? 864 LEU B CG 1 ATOM 10708 C CD1 . LEU B 1 782 ? 39.447 16.947 -25.110 1.00 43.77 ? 864 LEU B CD1 1 ATOM 10709 C CD2 . LEU B 1 782 ? 40.365 14.749 -25.891 1.00 37.85 ? 864 LEU B CD2 1 ATOM 10710 N N . HIS B 1 783 ? 39.037 14.337 -21.002 1.00 19.32 ? 865 HIS B N 1 ATOM 10711 C CA . HIS B 1 783 ? 37.892 13.559 -20.553 1.00 26.34 ? 865 HIS B CA 1 ATOM 10712 C C . HIS B 1 783 ? 37.515 13.844 -19.104 1.00 34.14 ? 865 HIS B C 1 ATOM 10713 O O . HIS B 1 783 ? 36.967 12.982 -18.414 1.00 25.77 ? 865 HIS B O 1 ATOM 10714 C CB . HIS B 1 783 ? 38.135 12.066 -20.780 1.00 33.45 ? 865 HIS B CB 1 ATOM 10715 C CG . HIS B 1 783 ? 38.090 11.664 -22.220 1.00 41.96 ? 865 HIS B CG 1 ATOM 10716 N ND1 . HIS B 1 783 ? 36.922 11.296 -22.852 1.00 36.73 ? 865 HIS B ND1 1 ATOM 10717 C CD2 . HIS B 1 783 ? 39.065 11.586 -23.157 1.00 48.41 ? 865 HIS B CD2 1 ATOM 10718 C CE1 . HIS B 1 783 ? 37.180 11.002 -24.114 1.00 41.88 ? 865 HIS B CE1 1 ATOM 10719 N NE2 . HIS B 1 783 ? 38.473 11.170 -24.325 1.00 47.09 ? 865 HIS B NE2 1 ATOM 10720 N N . ARG B 1 784 ? 37.819 15.054 -18.644 1.00 35.49 ? 866 ARG B N 1 ATOM 10721 C CA . ARG B 1 784 ? 37.351 15.511 -17.344 1.00 37.67 ? 866 ARG B CA 1 ATOM 10722 C C . ARG B 1 784 ? 35.833 15.615 -17.426 1.00 36.78 ? 866 ARG B C 1 ATOM 10723 O O . ARG B 1 784 ? 35.287 15.874 -18.498 1.00 44.81 ? 866 ARG B O 1 ATOM 10724 C CB . ARG B 1 784 ? 37.972 16.863 -16.991 1.00 10.00 ? 866 ARG B CB 1 ATOM 10725 N N . ALA B 1 785 ? 35.147 15.410 -16.308 1.00 24.78 ? 867 ALA B N 1 ATOM 10726 C CA . ALA B 1 785 ? 33.689 15.434 -16.320 1.00 25.07 ? 867 ALA B CA 1 ATOM 10727 C C . ALA B 1 785 ? 33.115 15.926 -15.000 1.00 29.78 ? 867 ALA B C 1 ATOM 10728 O O . ALA B 1 785 ? 33.804 15.947 -13.980 1.00 39.97 ? 867 ALA B O 1 ATOM 10729 C CB . ALA B 1 785 ? 33.143 14.054 -16.653 1.00 19.88 ? 867 ALA B CB 1 ATOM 10730 N N . ARG B 1 786 ? 31.848 16.324 -15.027 1.00 24.12 ? 868 ARG B N 1 ATOM 10731 C CA . ARG B 1 786 ? 31.146 16.687 -13.807 1.00 28.58 ? 868 ARG B CA 1 ATOM 10732 C C . ARG B 1 786 ? 30.968 15.445 -12.951 1.00 29.18 ? 868 ARG B C 1 ATOM 10733 O O . ARG B 1 786 ? 30.926 14.329 -13.467 1.00 27.38 ? 868 ARG B O 1 ATOM 10734 C CB . ARG B 1 786 ? 29.767 17.268 -14.122 1.00 30.12 ? 868 ARG B CB 1 ATOM 10735 C CG . ARG B 1 786 ? 29.745 18.376 -15.157 1.00 34.56 ? 868 ARG B CG 1 ATOM 10736 C CD . ARG B 1 786 ? 28.324 18.897 -15.332 1.00 33.20 ? 868 ARG B CD 1 ATOM 10737 N NE . ARG B 1 786 ? 27.364 17.816 -15.545 1.00 35.65 ? 868 ARG B NE 1 ATOM 10738 C CZ . ARG B 1 786 ? 26.045 17.978 -15.553 1.00 31.45 ? 868 ARG B CZ 1 ATOM 10739 N NH1 . ARG B 1 786 ? 25.519 19.179 -15.353 1.00 41.70 ? 868 ARG B NH1 1 ATOM 10740 N NH2 . ARG B 1 786 ? 25.249 16.936 -15.753 1.00 17.85 ? 868 ARG B NH2 1 ATOM 10741 N N . VAL B 1 787 ? 30.877 15.639 -11.639 1.00 27.84 ? 869 VAL B N 1 ATOM 10742 C CA . VAL B 1 787 ? 30.589 14.535 -10.736 1.00 24.78 ? 869 VAL B CA 1 ATOM 10743 C C . VAL B 1 787 ? 29.179 14.025 -11.024 1.00 20.72 ? 869 VAL B C 1 ATOM 10744 O O . VAL B 1 787 ? 28.893 12.838 -10.880 1.00 26.84 ? 869 VAL B O 1 ATOM 10745 C CB . VAL B 1 787 ? 30.716 14.962 -9.260 1.00 24.17 ? 869 VAL B CB 1 ATOM 10746 C CG1 . VAL B 1 787 ? 30.481 13.778 -8.335 1.00 25.71 ? 869 VAL B CG1 1 ATOM 10747 C CG2 . VAL B 1 787 ? 32.086 15.571 -9.003 1.00 24.74 ? 869 VAL B CG2 1 ATOM 10748 N N . THR B 1 788 ? 28.309 14.936 -11.449 1.00 15.30 ? 870 THR B N 1 ATOM 10749 C CA . THR B 1 788 ? 26.953 14.585 -11.851 1.00 22.50 ? 870 THR B CA 1 ATOM 10750 C C . THR B 1 788 ? 26.975 13.647 -13.057 1.00 33.58 ? 870 THR B C 1 ATOM 10751 O O . THR B 1 788 ? 26.178 12.712 -13.143 1.00 37.62 ? 870 THR B O 1 ATOM 10752 C CB . THR B 1 788 ? 26.127 15.842 -12.198 1.00 20.60 ? 870 THR B CB 1 ATOM 10753 O OG1 . THR B 1 788 ? 26.089 16.721 -11.068 1.00 27.54 ? 870 THR B OG1 1 ATOM 10754 C CG2 . THR B 1 788 ? 24.707 15.465 -12.591 1.00 17.89 ? 870 THR B CG2 1 ATOM 10755 N N . ASP B 1 789 ? 27.896 13.905 -13.983 1.00 28.78 ? 871 ASP B N 1 ATOM 10756 C CA . ASP B 1 789 ? 28.065 13.064 -15.166 1.00 28.18 ? 871 ASP B CA 1 ATOM 10757 C C . ASP B 1 789 ? 28.412 11.628 -14.789 1.00 34.27 ? 871 ASP B C 1 ATOM 10758 O O . ASP B 1 789 ? 27.889 10.678 -15.373 1.00 30.49 ? 871 ASP B O 1 ATOM 10759 C CB . ASP B 1 789 ? 29.150 13.639 -16.079 1.00 16.96 ? 871 ASP B CB 1 ATOM 10760 C CG . ASP B 1 789 ? 28.730 14.938 -16.734 1.00 17.78 ? 871 ASP B CG 1 ATOM 10761 O OD1 . ASP B 1 789 ? 27.554 15.330 -16.581 1.00 26.16 ? 871 ASP B OD1 1 ATOM 10762 O OD2 . ASP B 1 789 ? 29.572 15.568 -17.406 1.00 24.21 ? 871 ASP B OD2 1 ATOM 10763 N N . VAL B 1 790 ? 29.301 11.477 -13.813 1.00 33.13 ? 872 VAL B N 1 ATOM 10764 C CA . VAL B 1 790 ? 29.673 10.158 -13.323 1.00 25.42 ? 872 VAL B CA 1 ATOM 10765 C C . VAL B 1 790 ? 28.479 9.496 -12.646 1.00 27.43 ? 872 VAL B C 1 ATOM 10766 O O . VAL B 1 790 ? 28.232 8.303 -12.822 1.00 38.29 ? 872 VAL B O 1 ATOM 10767 C CB . VAL B 1 790 ? 30.846 10.234 -12.331 1.00 26.37 ? 872 VAL B CB 1 ATOM 10768 C CG1 . VAL B 1 790 ? 31.161 8.858 -11.767 1.00 21.41 ? 872 VAL B CG1 1 ATOM 10769 C CG2 . VAL B 1 790 ? 32.070 10.833 -13.003 1.00 30.64 ? 872 VAL B CG2 1 ATOM 10770 N N . GLU B 1 791 ? 27.737 10.286 -11.878 1.00 20.86 ? 873 GLU B N 1 ATOM 10771 C CA . GLU B 1 791 ? 26.550 9.797 -11.188 1.00 18.96 ? 873 GLU B CA 1 ATOM 10772 C C . GLU B 1 791 ? 25.508 9.295 -12.177 1.00 26.94 ? 873 GLU B C 1 ATOM 10773 O O . GLU B 1 791 ? 24.923 8.227 -11.994 1.00 27.02 ? 873 GLU B O 1 ATOM 10774 C CB . GLU B 1 791 ? 25.944 10.894 -10.314 1.00 18.76 ? 873 GLU B CB 1 ATOM 10775 C CG . GLU B 1 791 ? 26.780 11.245 -9.100 1.00 16.32 ? 873 GLU B CG 1 ATOM 10776 C CD . GLU B 1 791 ? 26.030 12.097 -8.102 1.00 26.30 ? 873 GLU B CD 1 ATOM 10777 O OE1 . GLU B 1 791 ? 25.176 12.904 -8.525 1.00 26.72 ? 873 GLU B OE1 1 ATOM 10778 O OE2 . GLU B 1 791 ? 26.291 11.951 -6.890 1.00 41.80 ? 873 GLU B OE2 1 ATOM 10779 N N . LEU B 1 792 ? 25.279 10.081 -13.223 1.00 36.74 ? 874 LEU B N 1 ATOM 10780 C CA . LEU B 1 792 ? 24.256 9.774 -14.214 1.00 35.46 ? 874 LEU B CA 1 ATOM 10781 C C . LEU B 1 792 ? 24.604 8.513 -14.998 1.00 37.37 ? 874 LEU B C 1 ATOM 10782 O O . LEU B 1 792 ? 23.720 7.753 -15.390 1.00 36.77 ? 874 LEU B O 1 ATOM 10783 C CB . LEU B 1 792 ? 24.075 10.958 -15.170 1.00 26.55 ? 874 LEU B CB 1 ATOM 10784 C CG . LEU B 1 792 ? 22.709 11.646 -15.189 1.00 21.34 ? 874 LEU B CG 1 ATOM 10785 C CD1 . LEU B 1 792 ? 22.157 11.783 -13.782 1.00 32.61 ? 874 LEU B CD1 1 ATOM 10786 C CD2 . LEU B 1 792 ? 22.803 13.003 -15.871 1.00 14.74 ? 874 LEU B CD2 1 ATOM 10787 N N . ILE B 1 793 ? 25.897 8.290 -15.208 1.00 33.11 ? 875 ILE B N 1 ATOM 10788 C CA . ILE B 1 793 ? 26.361 7.193 -16.049 1.00 31.04 ? 875 ILE B CA 1 ATOM 10789 C C . ILE B 1 793 ? 26.651 5.920 -15.253 1.00 30.99 ? 875 ILE B C 1 ATOM 10790 O O . ILE B 1 793 ? 26.809 4.845 -15.829 1.00 34.58 ? 875 ILE B O 1 ATOM 10791 C CB . ILE B 1 793 ? 27.608 7.610 -16.864 1.00 28.13 ? 875 ILE B CB 1 ATOM 10792 C CG1 . ILE B 1 793 ? 27.713 6.791 -18.153 1.00 26.61 ? 875 ILE B CG1 1 ATOM 10793 C CG2 . ILE B 1 793 ? 28.871 7.497 -16.020 1.00 12.41 ? 875 ILE B CG2 1 ATOM 10794 C CD1 . ILE B 1 793 ? 28.819 7.253 -19.077 1.00 32.06 ? 875 ILE B CD1 1 ATOM 10795 N N . THR B 1 794 ? 26.717 6.044 -13.932 1.00 29.70 ? 876 THR B N 1 ATOM 10796 C CA . THR B 1 794 ? 26.993 4.891 -13.081 1.00 28.83 ? 876 THR B CA 1 ATOM 10797 C C . THR B 1 794 ? 25.830 4.558 -12.155 1.00 24.35 ? 876 THR B C 1 ATOM 10798 O O . THR B 1 794 ? 25.763 3.459 -11.608 1.00 21.17 ? 876 THR B O 1 ATOM 10799 C CB . THR B 1 794 ? 28.257 5.097 -12.219 1.00 31.69 ? 876 THR B CB 1 ATOM 10800 O OG1 . THR B 1 794 ? 28.076 6.234 -11.365 1.00 11.87 ? 876 THR B OG1 1 ATOM 10801 C CG2 . THR B 1 794 ? 29.478 5.316 -13.105 1.00 29.97 ? 876 THR B CG2 1 ATOM 10802 N N . GLY B 1 795 ? 24.917 5.509 -11.983 1.00 29.40 ? 877 GLY B N 1 ATOM 10803 C CA . GLY B 1 795 ? 23.782 5.318 -11.099 1.00 32.02 ? 877 GLY B CA 1 ATOM 10804 C C . GLY B 1 795 ? 24.204 5.317 -9.643 1.00 38.64 ? 877 GLY B C 1 ATOM 10805 O O . GLY B 1 795 ? 23.667 4.574 -8.822 1.00 41.40 ? 877 GLY B O 1 ATOM 10806 N N . LEU B 1 796 ? 25.172 6.163 -9.318 1.00 42.38 ? 878 LEU B N 1 ATOM 10807 C CA . LEU B 1 796 ? 25.659 6.273 -7.952 1.00 36.07 ? 878 LEU B CA 1 ATOM 10808 C C . LEU B 1 796 ? 25.462 7.694 -7.446 1.00 35.07 ? 878 LEU B C 1 ATOM 10809 O O . LEU B 1 796 ? 25.336 8.622 -8.237 1.00 36.48 ? 878 LEU B O 1 ATOM 10810 C CB . LEU B 1 796 ? 27.139 5.892 -7.884 1.00 30.10 ? 878 LEU B CB 1 ATOM 10811 C CG . LEU B 1 796 ? 27.500 4.508 -8.429 1.00 21.85 ? 878 LEU B CG 1 ATOM 10812 C CD1 . LEU B 1 796 ? 29.007 4.292 -8.407 1.00 17.56 ? 878 LEU B CD1 1 ATOM 10813 C CD2 . LEU B 1 796 ? 26.783 3.420 -7.647 1.00 26.08 ? 878 LEU B CD2 1 ATOM 10814 N N . SER B 1 797 ? 25.405 7.860 -6.129 1.00 38.05 ? 879 SER B N 1 ATOM 10815 C CA . SER B 1 797 ? 25.240 9.188 -5.550 1.00 30.89 ? 879 SER B CA 1 ATOM 10816 C C . SER B 1 797 ? 26.315 9.462 -4.504 1.00 21.08 ? 879 SER B C 1 ATOM 10817 O O . SER B 1 797 ? 26.457 8.718 -3.534 1.00 27.66 ? 879 SER B O 1 ATOM 10818 C CB . SER B 1 797 ? 23.847 9.338 -4.934 1.00 27.93 ? 879 SER B CB 1 ATOM 10819 O OG . SER B 1 797 ? 23.617 10.669 -4.505 1.00 35.21 ? 879 SER B OG 1 ATOM 10820 N N . PHE B 1 798 ? 27.068 10.538 -4.707 1.00 19.87 ? 880 PHE B N 1 ATOM 10821 C CA . PHE B 1 798 ? 28.192 10.863 -3.837 1.00 24.50 ? 880 PHE B CA 1 ATOM 10822 C C . PHE B 1 798 ? 27.876 11.979 -2.842 1.00 24.70 ? 880 PHE B C 1 ATOM 10823 O O . PHE B 1 798 ? 26.928 12.743 -3.025 1.00 31.01 ? 880 PHE B O 1 ATOM 10824 C CB . PHE B 1 798 ? 29.413 11.253 -4.677 1.00 16.38 ? 880 PHE B CB 1 ATOM 10825 C CG . PHE B 1 798 ? 29.784 10.240 -5.722 1.00 20.22 ? 880 PHE B CG 1 ATOM 10826 C CD1 . PHE B 1 798 ? 30.471 9.087 -5.376 1.00 25.58 ? 880 PHE B CD1 1 ATOM 10827 C CD2 . PHE B 1 798 ? 29.462 10.448 -7.052 1.00 27.27 ? 880 PHE B CD2 1 ATOM 10828 C CE1 . PHE B 1 798 ? 30.818 8.155 -6.338 1.00 25.70 ? 880 PHE B CE1 1 ATOM 10829 C CE2 . PHE B 1 798 ? 29.806 9.521 -8.019 1.00 30.20 ? 880 PHE B CE2 1 ATOM 10830 C CZ . PHE B 1 798 ? 30.485 8.373 -7.661 1.00 26.11 ? 880 PHE B CZ 1 ATOM 10831 N N . TYR B 1 799 ? 28.678 12.038 -1.780 1.00 15.44 ? 881 TYR B N 1 ATOM 10832 C CA . TYR B 1 799 ? 28.663 13.130 -0.806 1.00 19.03 ? 881 TYR B CA 1 ATOM 10833 C C . TYR B 1 799 ? 27.339 13.314 -0.058 1.00 27.35 ? 881 TYR B C 1 ATOM 10834 O O . TYR B 1 799 ? 26.997 14.433 0.321 1.00 37.00 ? 881 TYR B O 1 ATOM 10835 C CB . TYR B 1 799 ? 29.030 14.458 -1.482 1.00 13.05 ? 881 TYR B CB 1 ATOM 10836 C CG . TYR B 1 799 ? 30.301 14.439 -2.305 1.00 15.10 ? 881 TYR B CG 1 ATOM 10837 C CD1 . TYR B 1 799 ? 31.396 13.675 -1.925 1.00 23.48 ? 881 TYR B CD1 1 ATOM 10838 C CD2 . TYR B 1 799 ? 30.405 15.197 -3.465 1.00 22.14 ? 881 TYR B CD2 1 ATOM 10839 C CE1 . TYR B 1 799 ? 32.558 13.664 -2.680 1.00 26.94 ? 881 TYR B CE1 1 ATOM 10840 C CE2 . TYR B 1 799 ? 31.560 15.193 -4.224 1.00 18.86 ? 881 TYR B CE2 1 ATOM 10841 C CZ . TYR B 1 799 ? 32.633 14.426 -3.827 1.00 24.30 ? 881 TYR B CZ 1 ATOM 10842 O OH . TYR B 1 799 ? 33.782 14.422 -4.584 1.00 8.46 ? 881 TYR B OH 1 ATOM 10843 N N . GLN B 1 800 ? 26.585 12.239 0.144 1.00 18.27 ? 882 GLN B N 1 ATOM 10844 C CA . GLN B 1 800 ? 25.275 12.369 0.783 1.00 19.54 ? 882 GLN B CA 1 ATOM 10845 C C . GLN B 1 800 ? 25.346 12.652 2.283 1.00 25.84 ? 882 GLN B C 1 ATOM 10846 O O . GLN B 1 800 ? 24.438 13.264 2.847 1.00 22.48 ? 882 GLN B O 1 ATOM 10847 C CB . GLN B 1 800 ? 24.397 11.148 0.508 1.00 19.41 ? 882 GLN B CB 1 ATOM 10848 C CG . GLN B 1 800 ? 23.835 11.124 -0.904 1.00 21.64 ? 882 GLN B CG 1 ATOM 10849 C CD . GLN B 1 800 ? 22.522 10.376 -0.994 1.00 34.41 ? 882 GLN B CD 1 ATOM 10850 O OE1 . GLN B 1 800 ? 21.949 9.976 0.020 1.00 35.87 ? 882 GLN B OE1 1 ATOM 10851 N NE2 . GLN B 1 800 ? 22.031 10.192 -2.213 1.00 44.47 ? 882 GLN B NE2 1 ATOM 10852 N N . ASP B 1 801 ? 26.419 12.210 2.931 1.00 26.01 ? 883 ASP B N 1 ATOM 10853 C CA . ASP B 1 801 ? 26.579 12.448 4.363 1.00 30.70 ? 883 ASP B CA 1 ATOM 10854 C C . ASP B 1 801 ? 27.392 13.712 4.624 1.00 27.70 ? 883 ASP B C 1 ATOM 10855 O O . ASP B 1 801 ? 27.730 14.026 5.764 1.00 27.23 ? 883 ASP B O 1 ATOM 10856 C CB . ASP B 1 801 ? 27.234 11.245 5.043 1.00 40.04 ? 883 ASP B CB 1 ATOM 10857 C CG . ASP B 1 801 ? 26.315 10.043 5.119 1.00 49.84 ? 883 ASP B CG 1 ATOM 10858 O OD1 . ASP B 1 801 ? 25.174 10.196 5.605 1.00 44.17 ? 883 ASP B OD1 1 ATOM 10859 O OD2 . ASP B 1 801 ? 26.738 8.941 4.707 1.00 60.70 ? 883 ASP B OD2 1 ATOM 10860 N N . ARG B 1 802 ? 27.704 14.427 3.550 1.00 30.95 ? 884 ARG B N 1 ATOM 10861 C CA . ARG B 1 802 ? 28.481 15.657 3.624 1.00 26.29 ? 884 ARG B CA 1 ATOM 10862 C C . ARG B 1 802 ? 27.666 16.759 4.301 1.00 26.03 ? 884 ARG B C 1 ATOM 10863 O O . ARG B 1 802 ? 26.444 16.802 4.170 1.00 25.51 ? 884 ARG B O 1 ATOM 10864 C CB . ARG B 1 802 ? 28.917 16.067 2.216 1.00 21.53 ? 884 ARG B CB 1 ATOM 10865 C CG . ARG B 1 802 ? 29.953 17.164 2.176 1.00 21.93 ? 884 ARG B CG 1 ATOM 10866 C CD . ARG B 1 802 ? 31.158 16.827 3.033 1.00 19.65 ? 884 ARG B CD 1 ATOM 10867 N NE . ARG B 1 802 ? 32.009 17.995 3.239 1.00 25.88 ? 884 ARG B NE 1 ATOM 10868 C CZ . ARG B 1 802 ? 33.025 18.039 4.094 1.00 31.44 ? 884 ARG B CZ 1 ATOM 10869 N NH1 . ARG B 1 802 ? 33.325 16.975 4.828 1.00 45.14 ? 884 ARG B NH1 1 ATOM 10870 N NH2 . ARG B 1 802 ? 33.740 19.147 4.216 1.00 29.68 ? 884 ARG B NH2 1 ATOM 10871 N N . GLN B 1 803 ? 28.343 17.644 5.027 1.00 27.19 ? 885 GLN B N 1 ATOM 10872 C CA . GLN B 1 803 ? 27.663 18.651 5.839 1.00 25.59 ? 885 GLN B CA 1 ATOM 10873 C C . GLN B 1 803 ? 26.897 19.705 5.041 1.00 32.58 ? 885 GLN B C 1 ATOM 10874 O O . GLN B 1 803 ? 25.881 20.214 5.512 1.00 36.04 ? 885 GLN B O 1 ATOM 10875 C CB . GLN B 1 803 ? 28.645 19.342 6.789 1.00 34.23 ? 885 GLN B CB 1 ATOM 10876 C CG . GLN B 1 803 ? 29.722 20.158 6.092 1.00 37.71 ? 885 GLN B CG 1 ATOM 10877 C CD . GLN B 1 803 ? 30.391 21.149 7.023 1.00 36.77 ? 885 GLN B CD 1 ATOM 10878 O OE1 . GLN B 1 803 ? 29.781 21.628 7.978 1.00 36.59 ? 885 GLN B OE1 1 ATOM 10879 N NE2 . GLN B 1 803 ? 31.652 21.463 6.748 1.00 37.76 ? 885 GLN B NE2 1 ATOM 10880 N N . GLU B 1 804 ? 27.374 20.034 3.843 1.00 39.09 ? 886 GLU B N 1 ATOM 10881 C CA . GLU B 1 804 ? 26.703 21.039 3.020 1.00 28.25 ? 886 GLU B CA 1 ATOM 10882 C C . GLU B 1 804 ? 25.308 20.588 2.596 1.00 33.57 ? 886 GLU B C 1 ATOM 10883 O O . GLU B 1 804 ? 25.020 19.390 2.547 1.00 40.47 ? 886 GLU B O 1 ATOM 10884 C CB . GLU B 1 804 ? 27.540 21.391 1.785 1.00 24.28 ? 886 GLU B CB 1 ATOM 10885 C CG . GLU B 1 804 ? 28.796 22.206 2.066 1.00 40.60 ? 886 GLU B CG 1 ATOM 10886 C CD . GLU B 1 804 ? 30.013 21.341 2.325 1.00 47.84 ? 886 GLU B CD 1 ATOM 10887 O OE1 . GLU B 1 804 ? 29.836 20.165 2.700 1.00 39.85 ? 886 GLU B OE1 1 ATOM 10888 O OE2 . GLU B 1 804 ? 31.147 21.834 2.147 1.00 51.08 ? 886 GLU B OE2 1 ATOM 10889 N N . SER B 1 805 ? 24.446 21.552 2.291 1.00 29.31 ? 887 SER B N 1 ATOM 10890 C CA . SER B 1 805 ? 23.077 21.251 1.893 1.00 28.87 ? 887 SER B CA 1 ATOM 10891 C C . SER B 1 805 ? 23.068 20.646 0.496 1.00 31.23 ? 887 SER B C 1 ATOM 10892 O O . SER B 1 805 ? 24.078 20.679 -0.209 1.00 26.68 ? 887 SER B O 1 ATOM 10893 C CB . SER B 1 805 ? 22.199 22.503 1.939 1.00 35.34 ? 887 SER B CB 1 ATOM 10894 O OG . SER B 1 805 ? 22.565 23.423 0.929 1.00 41.55 ? 887 SER B OG 1 ATOM 10895 N N . VAL B 1 806 ? 21.926 20.091 0.102 1.00 27.49 ? 888 VAL B N 1 ATOM 10896 C CA . VAL B 1 806 ? 21.790 19.469 -1.210 1.00 16.00 ? 888 VAL B CA 1 ATOM 10897 C C . VAL B 1 806 ? 22.090 20.460 -2.331 1.00 22.44 ? 888 VAL B C 1 ATOM 10898 O O . VAL B 1 806 ? 22.823 20.144 -3.267 1.00 25.38 ? 888 VAL B O 1 ATOM 10899 C CB . VAL B 1 806 ? 20.380 18.887 -1.409 1.00 9.28 ? 888 VAL B CB 1 ATOM 10900 C CG1 . VAL B 1 806 ? 20.237 18.313 -2.807 1.00 6.68 ? 888 VAL B CG1 1 ATOM 10901 C CG2 . VAL B 1 806 ? 20.103 17.816 -0.368 1.00 11.21 ? 888 VAL B CG2 1 ATOM 10902 N N . SER B 1 807 ? 21.532 21.661 -2.219 1.00 26.87 ? 889 SER B N 1 ATOM 10903 C CA . SER B 1 807 ? 21.735 22.711 -3.213 1.00 18.24 ? 889 SER B CA 1 ATOM 10904 C C . SER B 1 807 ? 23.210 23.081 -3.360 1.00 19.43 ? 889 SER B C 1 ATOM 10905 O O . SER B 1 807 ? 23.684 23.335 -4.466 1.00 24.69 ? 889 SER B O 1 ATOM 10906 C CB . SER B 1 807 ? 20.911 23.947 -2.849 1.00 23.33 ? 889 SER B CB 1 ATOM 10907 O OG . SER B 1 807 ? 21.041 24.956 -3.835 1.00 38.00 ? 889 SER B OG 1 ATOM 10908 N N . GLU B 1 808 ? 23.927 23.117 -2.243 1.00 20.26 ? 890 GLU B N 1 ATOM 10909 C CA . GLU B 1 808 ? 25.357 23.400 -2.265 1.00 23.42 ? 890 GLU B CA 1 ATOM 10910 C C . GLU B 1 808 ? 26.108 22.258 -2.943 1.00 24.95 ? 890 GLU B C 1 ATOM 10911 O O . GLU B 1 808 ? 27.024 22.486 -3.729 1.00 15.10 ? 890 GLU B O 1 ATOM 10912 C CB . GLU B 1 808 ? 25.898 23.582 -0.846 1.00 35.72 ? 890 GLU B CB 1 ATOM 10913 C CG . GLU B 1 808 ? 25.245 24.713 -0.068 1.00 62.01 ? 890 GLU B CG 1 ATOM 10914 C CD . GLU B 1 808 ? 25.720 24.781 1.372 1.00 74.66 ? 890 GLU B CD 1 ATOM 10915 O OE1 . GLU B 1 808 ? 24.865 24.796 2.284 1.00 77.07 ? 890 GLU B OE1 1 ATOM 10916 O OE2 . GLU B 1 808 ? 26.948 24.822 1.591 1.00 76.11 ? 890 GLU B OE2 1 ATOM 10917 N N . LEU B 1 809 ? 25.720 21.028 -2.620 1.00 27.22 ? 891 LEU B N 1 ATOM 10918 C CA . LEU B 1 809 ? 26.367 19.840 -3.170 1.00 18.54 ? 891 LEU B CA 1 ATOM 10919 C C . LEU B 1 809 ? 26.108 19.660 -4.665 1.00 26.69 ? 891 LEU B C 1 ATOM 10920 O O . LEU B 1 809 ? 26.953 19.128 -5.387 1.00 31.96 ? 891 LEU B O 1 ATOM 10921 C CB . LEU B 1 809 ? 25.926 18.596 -2.396 1.00 13.78 ? 891 LEU B CB 1 ATOM 10922 C CG . LEU B 1 809 ? 26.429 18.531 -0.951 1.00 22.04 ? 891 LEU B CG 1 ATOM 10923 C CD1 . LEU B 1 809 ? 25.711 17.440 -0.170 1.00 28.13 ? 891 LEU B CD1 1 ATOM 10924 C CD2 . LEU B 1 809 ? 27.935 18.323 -0.916 1.00 17.89 ? 891 LEU B CD2 1 ATOM 10925 N N . LEU B 1 810 ? 24.941 20.103 -5.125 1.00 25.92 ? 892 LEU B N 1 ATOM 10926 C CA . LEU B 1 810 ? 24.620 20.081 -6.551 1.00 23.95 ? 892 LEU B CA 1 ATOM 10927 C C . LEU B 1 810 ? 25.547 21.038 -7.291 1.00 15.80 ? 892 LEU B C 1 ATOM 10928 O O . LEU B 1 810 ? 26.027 20.742 -8.384 1.00 13.36 ? 892 LEU B O 1 ATOM 10929 C CB . LEU B 1 810 ? 23.159 20.464 -6.798 1.00 6.89 ? 892 LEU B CB 1 ATOM 10930 C CG . LEU B 1 810 ? 22.095 19.483 -6.298 1.00 23.11 ? 892 LEU B CG 1 ATOM 10931 C CD1 . LEU B 1 810 ? 20.710 19.911 -6.757 1.00 22.91 ? 892 LEU B CD1 1 ATOM 10932 C CD2 . LEU B 1 810 ? 22.402 18.066 -6.762 1.00 28.35 ? 892 LEU B CD2 1 ATOM 10933 N N . ARG B 1 811 ? 25.792 22.186 -6.671 1.00 15.43 ? 893 ARG B N 1 ATOM 10934 C CA . ARG B 1 811 ? 26.704 23.197 -7.189 1.00 16.18 ? 893 ARG B CA 1 ATOM 10935 C C . ARG B 1 811 ? 28.097 22.605 -7.359 1.00 17.07 ? 893 ARG B C 1 ATOM 10936 O O . ARG B 1 811 ? 28.790 22.878 -8.339 1.00 24.21 ? 893 ARG B O 1 ATOM 10937 C CB . ARG B 1 811 ? 26.758 24.382 -6.229 1.00 20.59 ? 893 ARG B CB 1 ATOM 10938 C CG . ARG B 1 811 ? 25.748 25.469 -6.533 1.00 29.07 ? 893 ARG B CG 1 ATOM 10939 C CD . ARG B 1 811 ? 26.115 26.750 -5.817 1.00 45.93 ? 893 ARG B CD 1 ATOM 10940 N NE . ARG B 1 811 ? 25.978 26.597 -4.372 1.00 62.54 ? 893 ARG B NE 1 ATOM 10941 C CZ . ARG B 1 811 ? 26.821 27.104 -3.480 1.00 73.77 ? 893 ARG B CZ 1 ATOM 10942 N NH1 . ARG B 1 811 ? 27.879 27.796 -3.879 1.00 74.49 ? 893 ARG B NH1 1 ATOM 10943 N NH2 . ARG B 1 811 ? 26.607 26.913 -2.186 1.00 78.58 ? 893 ARG B NH2 1 ATOM 10944 N N . LEU B 1 812 ? 28.492 21.788 -6.391 1.00 18.01 ? 894 LEU B N 1 ATOM 10945 C CA . LEU B 1 812 ? 29.808 21.166 -6.375 1.00 13.13 ? 894 LEU B CA 1 ATOM 10946 C C . LEU B 1 812 ? 29.926 20.143 -7.502 1.00 17.50 ? 894 LEU B C 1 ATOM 10947 O O . LEU B 1 812 ? 30.966 20.044 -8.156 1.00 19.65 ? 894 LEU B O 1 ATOM 10948 C CB . LEU B 1 812 ? 30.067 20.496 -5.026 1.00 14.71 ? 894 LEU B CB 1 ATOM 10949 C CG . LEU B 1 812 ? 31.421 19.803 -4.869 1.00 23.31 ? 894 LEU B CG 1 ATOM 10950 C CD1 . LEU B 1 812 ? 32.531 20.833 -4.746 1.00 26.21 ? 894 LEU B CD1 1 ATOM 10951 C CD2 . LEU B 1 812 ? 31.417 18.866 -3.671 1.00 19.78 ? 894 LEU B CD2 1 ATOM 10952 N N . LYS B 1 813 ? 28.852 19.389 -7.727 1.00 18.27 ? 895 LYS B N 1 ATOM 10953 C CA . LYS B 1 813 ? 28.869 18.284 -8.687 1.00 29.69 ? 895 LYS B CA 1 ATOM 10954 C C . LYS B 1 813 ? 28.727 18.725 -10.145 1.00 34.53 ? 895 LYS B C 1 ATOM 10955 O O . LYS B 1 813 ? 29.084 17.980 -11.058 1.00 26.65 ? 895 LYS B O 1 ATOM 10956 C CB . LYS B 1 813 ? 27.782 17.259 -8.343 1.00 30.59 ? 895 LYS B CB 1 ATOM 10957 C CG . LYS B 1 813 ? 27.951 16.552 -7.013 1.00 29.33 ? 895 LYS B CG 1 ATOM 10958 C CD . LYS B 1 813 ? 27.025 15.348 -6.936 1.00 24.75 ? 895 LYS B CD 1 ATOM 10959 C CE . LYS B 1 813 ? 27.015 14.735 -5.551 1.00 20.60 ? 895 LYS B CE 1 ATOM 10960 N NZ . LYS B 1 813 ? 25.799 15.123 -4.788 1.00 23.48 ? 895 LYS B NZ 1 ATOM 10961 N N . THR B 1 814 ? 28.217 19.932 -10.363 1.00 35.33 ? 896 THR B N 1 ATOM 10962 C CA . THR B 1 814 ? 28.035 20.435 -11.721 1.00 33.92 ? 896 THR B CA 1 ATOM 10963 C C . THR B 1 814 ? 29.194 21.301 -12.209 1.00 29.32 ? 896 THR B C 1 ATOM 10964 O O . THR B 1 814 ? 29.083 21.975 -13.234 1.00 33.60 ? 896 THR B O 1 ATOM 10965 C CB . THR B 1 814 ? 26.716 21.230 -11.867 1.00 33.67 ? 896 THR B CB 1 ATOM 10966 O OG1 . THR B 1 814 ? 26.732 22.364 -10.991 1.00 43.76 ? 896 THR B OG1 1 ATOM 10967 C CG2 . THR B 1 814 ? 25.524 20.351 -11.533 1.00 13.63 ? 896 THR B CG2 1 ATOM 10968 N N . HIS B 1 815 ? 30.303 21.287 -11.479 1.00 22.61 ? 897 HIS B N 1 ATOM 10969 C CA . HIS B 1 815 ? 31.411 22.177 -11.795 1.00 23.44 ? 897 HIS B CA 1 ATOM 10970 C C . HIS B 1 815 ? 32.373 21.539 -12.788 1.00 28.57 ? 897 HIS B C 1 ATOM 10971 O O . HIS B 1 815 ? 32.644 20.339 -12.732 1.00 33.32 ? 897 HIS B O 1 ATOM 10972 C CB . HIS B 1 815 ? 32.157 22.595 -10.524 1.00 18.71 ? 897 HIS B CB 1 ATOM 10973 C CG . HIS B 1 815 ? 33.334 23.483 -10.782 1.00 25.51 ? 897 HIS B CG 1 ATOM 10974 N ND1 . HIS B 1 815 ? 33.210 24.834 -11.024 1.00 22.56 ? 897 HIS B ND1 1 ATOM 10975 C CD2 . HIS B 1 815 ? 34.659 23.211 -10.841 1.00 20.41 ? 897 HIS B CD2 1 ATOM 10976 C CE1 . HIS B 1 815 ? 34.408 25.357 -11.219 1.00 23.96 ? 897 HIS B CE1 1 ATOM 10977 N NE2 . HIS B 1 815 ? 35.305 24.393 -11.114 1.00 19.16 ? 897 HIS B NE2 1 ATOM 10978 N N . LEU B 1 816 ? 32.889 22.362 -13.694 1.00 31.49 ? 898 LEU B N 1 ATOM 10979 C CA . LEU B 1 816 ? 33.944 21.964 -14.613 1.00 25.10 ? 898 LEU B CA 1 ATOM 10980 C C . LEU B 1 816 ? 34.920 23.119 -14.767 1.00 19.94 ? 898 LEU B C 1 ATOM 10981 O O . LEU B 1 816 ? 34.506 24.274 -14.854 1.00 14.85 ? 898 LEU B O 1 ATOM 10982 C CB . LEU B 1 816 ? 33.381 21.564 -15.979 1.00 25.59 ? 898 LEU B CB 1 ATOM 10983 C CG . LEU B 1 816 ? 32.961 20.104 -16.160 1.00 21.38 ? 898 LEU B CG 1 ATOM 10984 C CD1 . LEU B 1 816 ? 32.545 19.849 -17.596 1.00 22.17 ? 898 LEU B CD1 1 ATOM 10985 C CD2 . LEU B 1 816 ? 34.095 19.177 -15.761 1.00 19.99 ? 898 LEU B CD2 1 ATOM 10986 N N . PRO B 1 817 ? 36.225 22.816 -14.808 1.00 22.74 ? 899 PRO B N 1 ATOM 10987 C CA . PRO B 1 817 ? 37.209 23.883 -15.004 1.00 24.44 ? 899 PRO B CA 1 ATOM 10988 C C . PRO B 1 817 ? 37.215 24.371 -16.447 1.00 21.28 ? 899 PRO B C 1 ATOM 10989 O O . PRO B 1 817 ? 37.019 23.578 -17.368 1.00 23.73 ? 899 PRO B O 1 ATOM 10990 C CB . PRO B 1 817 ? 38.535 23.198 -14.670 1.00 33.75 ? 899 PRO B CB 1 ATOM 10991 C CG . PRO B 1 817 ? 38.295 21.759 -14.994 1.00 37.78 ? 899 PRO B CG 1 ATOM 10992 C CD . PRO B 1 817 ? 36.859 21.497 -14.634 1.00 27.62 ? 899 PRO B CD 1 ATOM 10993 N N . ILE B 1 818 ? 37.437 25.666 -16.636 1.00 21.07 ? 900 ILE B N 1 ATOM 10994 C CA . ILE B 1 818 ? 37.480 26.234 -17.976 1.00 26.19 ? 900 ILE B CA 1 ATOM 10995 C C . ILE B 1 818 ? 38.903 26.151 -18.514 1.00 32.48 ? 900 ILE B C 1 ATOM 10996 O O . ILE B 1 818 ? 39.857 26.548 -17.844 1.00 30.67 ? 900 ILE B O 1 ATOM 10997 C CB . ILE B 1 818 ? 36.967 27.696 -18.003 1.00 16.97 ? 900 ILE B CB 1 ATOM 10998 C CG1 . ILE B 1 818 ? 35.440 27.733 -18.101 1.00 19.36 ? 900 ILE B CG1 1 ATOM 10999 C CG2 . ILE B 1 818 ? 37.567 28.463 -19.169 1.00 24.98 ? 900 ILE B CG2 1 ATOM 11000 C CD1 . ILE B 1 818 ? 34.720 27.385 -16.812 1.00 40.24 ? 900 ILE B CD1 1 ATOM 11001 N N . PHE B 1 819 ? 39.038 25.627 -19.727 1.00 38.15 ? 901 PHE B N 1 ATOM 11002 C CA . PHE B 1 819 ? 40.335 25.548 -20.380 1.00 45.02 ? 901 PHE B CA 1 ATOM 11003 C C . PHE B 1 819 ? 40.811 26.942 -20.767 1.00 54.49 ? 901 PHE B C 1 ATOM 11004 O O . PHE B 1 819 ? 40.056 27.724 -21.350 1.00 52.56 ? 901 PHE B O 1 ATOM 11005 C CB . PHE B 1 819 ? 40.266 24.658 -21.623 1.00 42.29 ? 901 PHE B CB 1 ATOM 11006 C CG . PHE B 1 819 ? 39.911 23.227 -21.326 1.00 56.29 ? 901 PHE B CG 1 ATOM 11007 C CD1 . PHE B 1 819 ? 40.105 22.697 -20.060 1.00 70.25 ? 901 PHE B CD1 1 ATOM 11008 C CD2 . PHE B 1 819 ? 39.376 22.414 -22.311 1.00 56.93 ? 901 PHE B CD2 1 ATOM 11009 C CE1 . PHE B 1 819 ? 39.775 21.382 -19.783 1.00 72.45 ? 901 PHE B CE1 1 ATOM 11010 C CE2 . PHE B 1 819 ? 39.045 21.096 -22.041 1.00 57.48 ? 901 PHE B CE2 1 ATOM 11011 C CZ . PHE B 1 819 ? 39.245 20.580 -20.775 1.00 62.93 ? 901 PHE B CZ 1 ATOM 11012 N N . SER B 1 820 ? 42.065 27.242 -20.435 1.00 61.84 ? 902 SER B N 1 ATOM 11013 C CA . SER B 1 820 ? 42.677 28.535 -20.736 1.00 64.25 ? 902 SER B CA 1 ATOM 11014 C C . SER B 1 820 ? 41.881 29.700 -20.153 1.00 66.37 ? 902 SER B C 1 ATOM 11015 O O . SER B 1 820 ? 42.449 30.718 -19.758 1.00 67.27 ? 902 SER B O 1 ATOM 11016 C CB . SER B 1 820 ? 42.862 28.717 -22.247 1.00 59.51 ? 902 SER B CB 1 ATOM 11017 O OG . SER B 1 820 ? 43.398 29.994 -22.546 1.00 49.06 ? 902 SER B OG 1 HETATM 11018 C C1 . NAG C 2 . ? 15.860 35.743 24.073 1.00 23.75 ? 1001 NAG A C1 1 HETATM 11019 C C2 . NAG C 2 . ? 15.835 37.263 24.005 1.00 19.14 ? 1001 NAG A C2 1 HETATM 11020 C C3 . NAG C 2 . ? 14.778 37.835 24.943 1.00 17.62 ? 1001 NAG A C3 1 HETATM 11021 C C4 . NAG C 2 . ? 13.444 37.095 24.858 1.00 27.86 ? 1001 NAG A C4 1 HETATM 11022 C C5 . NAG C 2 . ? 13.614 35.583 24.743 1.00 27.43 ? 1001 NAG A C5 1 HETATM 11023 C C6 . NAG C 2 . ? 12.296 34.915 24.371 1.00 29.29 ? 1001 NAG A C6 1 HETATM 11024 C C7 . NAG C 2 . ? 17.922 38.358 23.431 1.00 25.49 ? 1001 NAG A C7 1 HETATM 11025 C C8 . NAG C 2 . ? 19.298 38.756 23.874 1.00 18.18 ? 1001 NAG A C8 1 HETATM 11026 N N2 . NAG C 2 . ? 17.141 37.792 24.347 1.00 24.69 ? 1001 NAG A N2 1 HETATM 11027 O O3 . NAG C 2 . ? 14.579 39.195 24.627 1.00 30.28 ? 1001 NAG A O3 1 HETATM 11028 O O4 . NAG C 2 . ? 12.714 37.375 26.033 1.00 45.28 ? 1001 NAG A O4 1 HETATM 11029 O O5 . NAG C 2 . ? 14.576 35.250 23.766 1.00 24.06 ? 1001 NAG A O5 1 HETATM 11030 O O6 . NAG C 2 . ? 11.941 35.275 23.055 1.00 36.21 ? 1001 NAG A O6 1 HETATM 11031 O O7 . NAG C 2 . ? 17.560 38.555 22.272 1.00 28.46 ? 1001 NAG A O7 1 HETATM 11032 C C1 . NAG D 2 . ? 11.591 38.235 25.757 1.00 49.83 ? 1002 NAG A C1 1 HETATM 11033 C C2 . NAG D 2 . ? 10.541 37.984 26.836 1.00 56.58 ? 1002 NAG A C2 1 HETATM 11034 C C3 . NAG D 2 . ? 9.361 38.947 26.740 1.00 57.32 ? 1002 NAG A C3 1 HETATM 11035 C C4 . NAG D 2 . ? 9.812 40.384 26.500 1.00 49.67 ? 1002 NAG A C4 1 HETATM 11036 C C5 . NAG D 2 . ? 10.855 40.447 25.390 1.00 46.29 ? 1002 NAG A C5 1 HETATM 11037 C C6 . NAG D 2 . ? 11.376 41.865 25.195 1.00 51.22 ? 1002 NAG A C6 1 HETATM 11038 C C7 . NAG D 2 . ? 10.547 35.674 27.570 1.00 45.95 ? 1002 NAG A C7 1 HETATM 11039 C C8 . NAG D 2 . ? 9.893 34.326 27.489 1.00 49.59 ? 1002 NAG A C8 1 HETATM 11040 N N2 . NAG D 2 . ? 10.078 36.612 26.751 1.00 50.51 ? 1002 NAG A N2 1 HETATM 11041 O O3 . NAG D 2 . ? 8.609 38.883 27.931 1.00 59.59 ? 1002 NAG A O3 1 HETATM 11042 O O4 . NAG D 2 . ? 8.684 41.164 26.160 1.00 51.58 ? 1002 NAG A O4 1 HETATM 11043 O O5 . NAG D 2 . ? 11.941 39.602 25.704 1.00 44.20 ? 1002 NAG A O5 1 HETATM 11044 O O6 . NAG D 2 . ? 12.006 42.298 26.379 1.00 53.56 ? 1002 NAG A O6 1 HETATM 11045 O O7 . NAG D 2 . ? 11.470 35.874 28.359 1.00 35.74 ? 1002 NAG A O7 1 HETATM 11046 C C1 . BMA E 3 . ? 8.408 42.125 27.200 1.00 54.37 ? 1003 BMA A C1 1 HETATM 11047 C C2 . BMA E 3 . ? 7.695 43.328 26.594 1.00 57.54 ? 1003 BMA A C2 1 HETATM 11048 C C3 . BMA E 3 . ? 7.454 44.403 27.649 1.00 60.95 ? 1003 BMA A C3 1 HETATM 11049 C C4 . BMA E 3 . ? 6.843 43.810 28.914 1.00 59.53 ? 1003 BMA A C4 1 HETATM 11050 C C5 . BMA E 3 . ? 7.599 42.549 29.334 1.00 58.54 ? 1003 BMA A C5 1 HETATM 11051 C C6 . BMA E 3 . ? 7.019 41.886 30.584 1.00 66.10 ? 1003 BMA A C6 1 HETATM 11052 O O2 . BMA E 3 . ? 6.454 42.915 26.064 1.00 41.24 ? 1003 BMA A O2 1 HETATM 11053 O O3 . BMA E 3 . ? 6.610 45.399 27.106 1.00 69.88 ? 1003 BMA A O3 1 HETATM 11054 O O4 . BMA E 3 . ? 6.920 44.765 29.947 1.00 60.70 ? 1003 BMA A O4 1 HETATM 11055 O O5 . BMA E 3 . ? 7.627 41.627 28.263 1.00 55.39 ? 1003 BMA A O5 1 HETATM 11056 O O6 . BMA E 3 . ? 5.679 41.484 30.391 1.00 73.84 ? 1003 BMA A O6 1 HETATM 11057 C C1 . MAN F 4 . ? 7.380 46.210 26.197 1.00 75.82 ? 1004 MAN A C1 1 HETATM 11058 C C2 . MAN F 4 . ? 7.276 47.676 26.607 1.00 81.40 ? 1004 MAN A C2 1 HETATM 11059 C C3 . MAN F 4 . ? 5.845 48.169 26.429 1.00 74.07 ? 1004 MAN A C3 1 HETATM 11060 C C4 . MAN F 4 . ? 5.347 47.846 25.024 1.00 59.14 ? 1004 MAN A C4 1 HETATM 11061 C C5 . MAN F 4 . ? 5.594 46.379 24.686 1.00 65.61 ? 1004 MAN A C5 1 HETATM 11062 C C6 . MAN F 4 . ? 5.183 46.071 23.251 1.00 68.05 ? 1004 MAN A C6 1 HETATM 11063 O O2 . MAN F 4 . ? 8.150 48.458 25.826 1.00 88.57 ? 1004 MAN A O2 1 HETATM 11064 O O3 . MAN F 4 . ? 5.797 49.563 26.633 1.00 74.45 ? 1004 MAN A O3 1 HETATM 11065 O O4 . MAN F 4 . ? 3.967 48.121 24.934 1.00 44.21 ? 1004 MAN A O4 1 HETATM 11066 O O5 . MAN F 4 . ? 6.962 46.075 24.855 1.00 71.43 ? 1004 MAN A O5 1 HETATM 11067 O O6 . MAN F 4 . ? 5.255 44.680 23.029 1.00 66.82 ? 1004 MAN A O6 1 HETATM 11068 C C1 . MAN G 4 . ? 4.883 42.013 31.470 1.00 68.57 ? 1005 MAN A C1 1 HETATM 11069 C C2 . MAN G 4 . ? 3.399 41.925 31.110 1.00 70.65 ? 1005 MAN A C2 1 HETATM 11070 C C3 . MAN G 4 . ? 2.735 43.295 30.973 1.00 76.78 ? 1005 MAN A C3 1 HETATM 11071 C C4 . MAN G 4 . ? 3.059 44.205 32.158 1.00 64.94 ? 1005 MAN A C4 1 HETATM 11072 C C5 . MAN G 4 . ? 4.476 44.025 32.701 1.00 60.90 ? 1005 MAN A C5 1 HETATM 11073 C C6 . MAN G 4 . ? 4.505 43.333 34.066 1.00 56.20 ? 1005 MAN A C6 1 HETATM 11074 O O2 . MAN G 4 . ? 2.725 41.175 32.096 1.00 66.32 ? 1005 MAN A O2 1 HETATM 11075 O O3 . MAN G 4 . ? 1.323 43.172 30.934 1.00 88.59 ? 1005 MAN A O3 1 HETATM 11076 O O4 . MAN G 4 . ? 2.893 45.548 31.759 1.00 57.92 ? 1005 MAN A O4 1 HETATM 11077 O O5 . MAN G 4 . ? 5.279 43.338 31.764 1.00 68.33 ? 1005 MAN A O5 1 HETATM 11078 O O6 . MAN G 4 . ? 4.757 44.288 35.073 1.00 53.73 ? 1005 MAN A O6 1 HETATM 11079 C C1 . MAN H 4 . ? 0.761 43.192 29.601 1.00 95.70 ? 1006 MAN A C1 1 HETATM 11080 C C2 . MAN H 4 . ? 0.649 41.782 29.022 1.00 95.72 ? 1006 MAN A C2 1 HETATM 11081 C C3 . MAN H 4 . ? 1.158 41.739 27.588 1.00 105.38 ? 1006 MAN A C3 1 HETATM 11082 C C4 . MAN H 4 . ? 0.557 42.892 26.797 1.00 98.70 ? 1006 MAN A C4 1 HETATM 11083 C C5 . MAN H 4 . ? 0.888 44.226 27.460 1.00 98.28 ? 1006 MAN A C5 1 HETATM 11084 C C6 . MAN H 4 . ? -0.366 45.083 27.604 1.00 86.71 ? 1006 MAN A C6 1 HETATM 11085 O O2 . MAN H 4 . ? -0.696 41.363 29.063 1.00 85.84 ? 1006 MAN A O2 1 HETATM 11086 O O3 . MAN H 4 . ? 0.783 40.517 26.995 1.00 111.67 ? 1006 MAN A O3 1 HETATM 11087 O O4 . MAN H 4 . ? 1.054 42.877 25.477 1.00 86.57 ? 1006 MAN A O4 1 HETATM 11088 O O5 . MAN H 4 . ? 1.496 44.024 28.724 1.00 102.84 ? 1006 MAN A O5 1 HETATM 11089 O O6 . MAN H 4 . ? -1.017 45.167 26.355 1.00 76.68 ? 1006 MAN A O6 1 HETATM 11090 C C1 . NAG I 2 . ? 13.658 38.004 53.967 1.00 71.80 ? 1007 NAG A C1 1 HETATM 11091 C C2 . NAG I 2 . ? 12.618 38.450 54.990 1.00 66.51 ? 1007 NAG A C2 1 HETATM 11092 C C3 . NAG I 2 . ? 13.100 38.221 56.418 1.00 70.51 ? 1007 NAG A C3 1 HETATM 11093 C C4 . NAG I 2 . ? 13.678 36.823 56.593 1.00 86.04 ? 1007 NAG A C4 1 HETATM 11094 C C5 . NAG I 2 . ? 14.670 36.490 55.484 1.00 85.67 ? 1007 NAG A C5 1 HETATM 11095 C C6 . NAG I 2 . ? 15.135 35.043 55.597 1.00 82.11 ? 1007 NAG A C6 1 HETATM 11096 C C7 . NAG I 2 . ? 11.099 40.243 54.383 1.00 72.55 ? 1007 NAG A C7 1 HETATM 11097 C C8 . NAG I 2 . ? 10.975 41.672 53.945 1.00 72.84 ? 1007 NAG A C8 1 HETATM 11098 N N2 . NAG I 2 . ? 12.302 39.852 54.797 1.00 62.32 ? 1007 NAG A N2 1 HETATM 11099 O O3 . NAG I 2 . ? 12.021 38.392 57.308 1.00 54.82 ? 1007 NAG A O3 1 HETATM 11100 O O4 . NAG I 2 . ? 14.330 36.743 57.841 1.00 85.27 ? 1007 NAG A O4 1 HETATM 11101 O O5 . NAG I 2 . ? 14.077 36.678 54.217 1.00 80.86 ? 1007 NAG A O5 1 HETATM 11102 O O6 . NAG I 2 . ? 14.035 34.184 55.393 1.00 79.99 ? 1007 NAG A O6 1 HETATM 11103 O O7 . NAG I 2 . ? 10.125 39.492 54.347 1.00 75.95 ? 1007 NAG A O7 1 HETATM 11104 C C1 . NAG J 2 . ? 17.062 7.028 45.792 1.00 68.96 ? 1008 NAG A C1 1 HETATM 11105 C C2 . NAG J 2 . ? 16.026 6.719 46.870 1.00 75.05 ? 1008 NAG A C2 1 HETATM 11106 C C3 . NAG J 2 . ? 16.349 5.433 47.622 1.00 72.14 ? 1008 NAG A C3 1 HETATM 11107 C C4 . NAG J 2 . ? 16.695 4.303 46.664 1.00 72.54 ? 1008 NAG A C4 1 HETATM 11108 C C5 . NAG J 2 . ? 17.733 4.755 45.645 1.00 79.79 ? 1008 NAG A C5 1 HETATM 11109 C C6 . NAG J 2 . ? 18.006 3.649 44.632 1.00 82.23 ? 1008 NAG A C6 1 HETATM 11110 C C7 . NAG J 2 . ? 14.778 8.409 48.087 1.00 72.87 ? 1008 NAG A C7 1 HETATM 11111 C C8 . NAG J 2 . ? 14.852 9.739 48.777 1.00 66.06 ? 1008 NAG A C8 1 HETATM 11112 N N2 . NAG J 2 . ? 15.938 7.822 47.808 1.00 77.34 ? 1008 NAG A N2 1 HETATM 11113 O O3 . NAG J 2 . ? 15.233 5.057 48.398 1.00 69.94 ? 1008 NAG A O3 1 HETATM 11114 O O4 . NAG J 2 . ? 17.196 3.204 47.394 1.00 63.00 ? 1008 NAG A O4 1 HETATM 11115 O O5 . NAG J 2 . ? 17.283 5.906 44.962 1.00 79.86 ? 1008 NAG A O5 1 HETATM 11116 O O6 . NAG J 2 . ? 16.798 3.281 44.003 1.00 81.10 ? 1008 NAG A O6 1 HETATM 11117 O O7 . NAG J 2 . ? 13.688 7.909 47.809 1.00 69.04 ? 1008 NAG A O7 1 HETATM 11118 P P . AMP K 5 . ? 27.421 20.854 38.609 1.00 54.70 ? 1009 AMP A P 1 HETATM 11119 O O1P . AMP K 5 . ? 26.995 22.277 38.340 1.00 49.76 ? 1009 AMP A O1P 1 HETATM 11120 O O2P . AMP K 5 . ? 28.097 20.088 37.495 1.00 68.75 ? 1009 AMP A O2P 1 HETATM 11121 O O3P . AMP K 5 . ? 28.302 20.828 39.834 1.00 55.15 ? 1009 AMP A O3P 1 HETATM 11122 O "O5'" . AMP K 5 . ? 26.176 20.021 39.150 1.00 43.28 ? 1009 AMP A "O5'" 1 HETATM 11123 C "C5'" . AMP K 5 . ? 26.319 18.659 39.540 1.00 44.91 ? 1009 AMP A "C5'" 1 HETATM 11124 C "C4'" . AMP K 5 . ? 25.544 18.359 40.799 1.00 44.59 ? 1009 AMP A "C4'" 1 HETATM 11125 O "O4'" . AMP K 5 . ? 24.137 18.645 40.573 1.00 31.69 ? 1009 AMP A "O4'" 1 HETATM 11126 C "C3'" . AMP K 5 . ? 25.620 16.907 41.281 1.00 48.71 ? 1009 AMP A "C3'" 1 HETATM 11127 O "O3'" . AMP K 5 . ? 25.759 16.885 42.701 1.00 48.44 ? 1009 AMP A "O3'" 1 HETATM 11128 C "C2'" . AMP K 5 . ? 24.257 16.335 40.893 1.00 41.87 ? 1009 AMP A "C2'" 1 HETATM 11129 O "O2'" . AMP K 5 . ? 23.813 15.271 41.707 1.00 46.01 ? 1009 AMP A "O2'" 1 HETATM 11130 C "C1'" . AMP K 5 . ? 23.360 17.559 41.022 1.00 33.75 ? 1009 AMP A "C1'" 1 HETATM 11131 N N9 . AMP K 5 . ? 22.140 17.496 40.213 1.00 39.75 ? 1009 AMP A N9 1 HETATM 11132 C C8 . AMP K 5 . ? 22.061 17.126 38.922 1.00 38.86 ? 1009 AMP A C8 1 HETATM 11133 N N7 . AMP K 5 . ? 20.778 17.165 38.477 1.00 35.10 ? 1009 AMP A N7 1 HETATM 11134 C C5 . AMP K 5 . ? 20.006 17.563 39.504 1.00 35.52 ? 1009 AMP A C5 1 HETATM 11135 C C6 . AMP K 5 . ? 18.562 17.813 39.722 1.00 38.53 ? 1009 AMP A C6 1 HETATM 11136 N N6 . AMP K 5 . ? 17.662 17.643 38.724 1.00 42.15 ? 1009 AMP A N6 1 HETATM 11137 N N1 . AMP K 5 . ? 18.173 18.220 40.950 1.00 44.64 ? 1009 AMP A N1 1 HETATM 11138 C C2 . AMP K 5 . ? 19.056 18.395 41.951 1.00 53.55 ? 1009 AMP A C2 1 HETATM 11139 N N3 . AMP K 5 . ? 20.378 18.185 41.824 1.00 53.69 ? 1009 AMP A N3 1 HETATM 11140 C C4 . AMP K 5 . ? 20.907 17.773 40.647 1.00 43.99 ? 1009 AMP A C4 1 HETATM 11141 ZN ZN . ZN L 6 . ? 27.309 19.945 35.586 1.00 38.91 ? 1010 ZN A ZN 1 HETATM 11142 ZN ZN . ZN M 6 . ? 29.947 19.764 38.373 1.00 45.76 ? 1011 ZN A ZN 1 HETATM 11143 CA CA . CA N 7 . ? 17.338 47.420 24.774 1.00 44.88 ? 1012 CA A CA 1 HETATM 11144 C C1 . NAG O 2 . ? 18.364 14.492 -20.293 1.00 31.62 ? 1001 NAG B C1 1 HETATM 11145 C C2 . NAG O 2 . ? 18.736 13.017 -20.219 1.00 35.39 ? 1001 NAG B C2 1 HETATM 11146 C C3 . NAG O 2 . ? 17.852 12.177 -21.134 1.00 42.88 ? 1001 NAG B C3 1 HETATM 11147 C C4 . NAG O 2 . ? 16.373 12.546 -21.042 1.00 47.79 ? 1001 NAG B C4 1 HETATM 11148 C C5 . NAG O 2 . ? 16.136 14.051 -20.923 1.00 36.69 ? 1001 NAG B C5 1 HETATM 11149 C C6 . NAG O 2 . ? 14.702 14.343 -20.497 1.00 44.39 ? 1001 NAG B C6 1 HETATM 11150 C C7 . NAG O 2 . ? 21.044 12.497 -19.686 1.00 30.64 ? 1001 NAG B C7 1 HETATM 11151 C C8 . NAG O 2 . ? 22.470 12.468 -20.152 1.00 26.47 ? 1001 NAG B C8 1 HETATM 11152 N N2 . NAG O 2 . ? 20.129 12.846 -20.586 1.00 36.83 ? 1001 NAG B N2 1 HETATM 11153 O O3 . NAG O 2 . ? 18.008 10.813 -20.809 1.00 45.09 ? 1001 NAG B O3 1 HETATM 11154 O O4 . NAG O 2 . ? 15.748 12.075 -22.217 1.00 61.83 ? 1001 NAG B O4 1 HETATM 11155 O O5 . NAG O 2 . ? 17.000 14.640 -19.976 1.00 25.46 ? 1001 NAG B O5 1 HETATM 11156 O O6 . NAG O 2 . ? 14.456 13.743 -19.244 1.00 50.26 ? 1001 NAG B O6 1 HETATM 11157 O O7 . NAG O 2 . ? 20.762 12.210 -18.525 1.00 24.28 ? 1001 NAG B O7 1 HETATM 11158 C C1 . NAG P 2 . ? 14.775 11.056 -21.918 1.00 63.15 ? 1002 NAG B C1 1 HETATM 11159 C C2 . NAG P 2 . ? 13.710 11.103 -23.012 1.00 68.04 ? 1002 NAG B C2 1 HETATM 11160 C C3 . NAG P 2 . ? 12.664 10.010 -22.834 1.00 76.18 ? 1002 NAG B C3 1 HETATM 11161 C C4 . NAG P 2 . ? 13.344 8.664 -22.629 1.00 72.90 ? 1002 NAG B C4 1 HETATM 11162 C C5 . NAG P 2 . ? 14.377 8.760 -21.511 1.00 74.83 ? 1002 NAG B C5 1 HETATM 11163 C C6 . NAG P 2 . ? 15.083 7.425 -21.307 1.00 80.03 ? 1002 NAG B C6 1 HETATM 11164 C C7 . NAG P 2 . ? 13.403 13.295 -23.986 1.00 57.72 ? 1002 NAG B C7 1 HETATM 11165 C C8 . NAG P 2 . ? 12.520 14.502 -24.103 1.00 53.65 ? 1002 NAG B C8 1 HETATM 11166 N N2 . NAG P 2 . ? 13.084 12.411 -23.044 1.00 64.48 ? 1002 NAG B N2 1 HETATM 11167 O O3 . NAG P 2 . ? 11.842 9.952 -23.978 1.00 82.69 ? 1002 NAG B O3 1 HETATM 11168 O O4 . NAG P 2 . ? 12.375 7.690 -22.308 1.00 68.10 ? 1002 NAG B O4 1 HETATM 11169 O O5 . NAG P 2 . ? 15.331 9.761 -21.806 1.00 67.17 ? 1002 NAG B O5 1 HETATM 11170 O O6 . NAG P 2 . ? 15.670 7.014 -22.522 1.00 79.30 ? 1002 NAG B O6 1 HETATM 11171 O O7 . NAG P 2 . ? 14.370 13.155 -24.735 1.00 49.54 ? 1002 NAG B O7 1 HETATM 11172 C C1 . NAG Q 2 . ? 15.906 11.684 -50.017 1.00 90.24 ? 1003 NAG B C1 1 HETATM 11173 C C2 . NAG Q 2 . ? 15.222 10.915 -51.145 1.00 92.85 ? 1003 NAG B C2 1 HETATM 11174 C C3 . NAG Q 2 . ? 15.748 11.338 -52.512 1.00 97.76 ? 1003 NAG B C3 1 HETATM 11175 C C4 . NAG Q 2 . ? 15.762 12.855 -52.639 1.00 97.66 ? 1003 NAG B C4 1 HETATM 11176 C C5 . NAG Q 2 . ? 16.488 13.473 -51.450 1.00 96.61 ? 1003 NAG B C5 1 HETATM 11177 C C6 . NAG Q 2 . ? 16.510 14.994 -51.545 1.00 90.41 ? 1003 NAG B C6 1 HETATM 11178 C C7 . NAG Q 2 . ? 14.415 8.701 -50.568 1.00 98.40 ? 1003 NAG B C7 1 HETATM 11179 C C8 . NAG Q 2 . ? 14.747 7.253 -50.362 1.00 96.13 ? 1003 NAG B C8 1 HETATM 11180 N N2 . NAG Q 2 . ? 15.414 9.490 -50.958 1.00 93.24 ? 1003 NAG B N2 1 HETATM 11181 O O3 . NAG Q 2 . ? 14.940 10.784 -53.526 1.00 97.00 ? 1003 NAG B O3 1 HETATM 11182 O O4 . NAG Q 2 . ? 16.402 13.230 -53.838 1.00 89.76 ? 1003 NAG B O4 1 HETATM 11183 O O5 . NAG Q 2 . ? 15.861 13.078 -50.247 1.00 94.48 ? 1003 NAG B O5 1 HETATM 11184 O O6 . NAG Q 2 . ? 15.189 15.484 -51.606 1.00 85.45 ? 1003 NAG B O6 1 HETATM 11185 O O7 . NAG Q 2 . ? 13.272 9.113 -50.375 1.00 99.48 ? 1003 NAG B O7 1 HETATM 11186 C C1 . NAG R 2 . ? 11.092 42.611 -41.876 1.00 69.61 ? 1004 NAG B C1 1 HETATM 11187 C C2 . NAG R 2 . ? 10.044 42.586 -42.990 1.00 81.14 ? 1004 NAG B C2 1 HETATM 11188 C C3 . NAG R 2 . ? 9.994 43.889 -43.784 1.00 83.67 ? 1004 NAG B C3 1 HETATM 11189 C C4 . NAG R 2 . ? 10.005 45.100 -42.863 1.00 76.30 ? 1004 NAG B C4 1 HETATM 11190 C C5 . NAG R 2 . ? 11.153 44.981 -41.869 1.00 77.54 ? 1004 NAG B C5 1 HETATM 11191 C C6 . NAG R 2 . ? 11.207 46.191 -40.942 1.00 75.11 ? 1004 NAG B C6 1 HETATM 11192 C C7 . NAG R 2 . ? 9.513 40.424 -43.951 1.00 82.32 ? 1004 NAG B C7 1 HETATM 11193 C C8 . NAG R 2 . ? 9.912 39.336 -44.904 1.00 77.31 ? 1004 NAG B C8 1 HETATM 11194 N N2 . NAG R 2 . ? 10.316 41.482 -43.890 1.00 84.78 ? 1004 NAG B N2 1 HETATM 11195 O O3 . NAG R 2 . ? 8.828 43.913 -44.578 1.00 85.39 ? 1004 NAG B O3 1 HETATM 11196 O O4 . NAG R 2 . ? 10.148 46.280 -43.623 1.00 59.43 ? 1004 NAG B O4 1 HETATM 11197 O O5 . NAG R 2 . ? 11.002 43.797 -41.111 1.00 75.89 ? 1004 NAG B O5 1 HETATM 11198 O O6 . NAG R 2 . ? 9.981 46.322 -40.258 1.00 73.24 ? 1004 NAG B O6 1 HETATM 11199 O O7 . NAG R 2 . ? 8.493 40.318 -43.270 1.00 75.35 ? 1004 NAG B O7 1 HETATM 11200 P P . AMP S 5 . ? 25.033 32.085 -35.014 1.00 50.45 ? 1005 AMP B P 1 HETATM 11201 O O1P . AMP S 5 . ? 25.077 30.599 -34.751 1.00 34.51 ? 1005 AMP B O1P 1 HETATM 11202 O O2P . AMP S 5 . ? 25.523 33.016 -33.930 1.00 71.60 ? 1005 AMP B O2P 1 HETATM 11203 O O3P . AMP S 5 . ? 25.767 32.393 -36.298 1.00 46.95 ? 1005 AMP B O3P 1 HETATM 11204 O "O5'" . AMP S 5 . ? 23.559 32.503 -35.450 1.00 53.35 ? 1005 AMP B "O5'" 1 HETATM 11205 C "C5'" . AMP S 5 . ? 23.244 33.856 -35.762 1.00 55.91 ? 1005 AMP B "C5'" 1 HETATM 11206 C "C4'" . AMP S 5 . ? 22.418 33.961 -37.020 1.00 54.17 ? 1005 AMP B "C4'" 1 HETATM 11207 O "O4'" . AMP S 5 . ? 21.133 33.318 -36.802 1.00 42.67 ? 1005 AMP B "O4'" 1 HETATM 11208 C "C3'" . AMP S 5 . ? 22.118 35.390 -37.483 1.00 63.16 ? 1005 AMP B "C3'" 1 HETATM 11209 O "O3'" . AMP S 5 . ? 22.243 35.466 -38.902 1.00 73.33 ? 1005 AMP B "O3'" 1 HETATM 11210 C "C2'" . AMP S 5 . ? 20.655 35.590 -37.089 1.00 60.96 ? 1005 AMP B "C2'" 1 HETATM 11211 O "O2'" . AMP S 5 . ? 19.951 36.511 -37.895 1.00 69.36 ? 1005 AMP B "O2'" 1 HETATM 11212 C "C1'" . AMP S 5 . ? 20.098 34.178 -37.225 1.00 50.28 ? 1005 AMP B "C1'" 1 HETATM 11213 N N9 . AMP S 5 . ? 18.915 33.920 -36.399 1.00 52.77 ? 1005 AMP B N9 1 HETATM 11214 C C8 . AMP S 5 . ? 18.763 34.278 -35.111 1.00 53.89 ? 1005 AMP B C8 1 HETATM 11215 N N7 . AMP S 5 . ? 17.548 33.903 -34.635 1.00 48.67 ? 1005 AMP B N7 1 HETATM 11216 C C5 . AMP S 5 . ? 16.893 33.293 -35.639 1.00 46.82 ? 1005 AMP B C5 1 HETATM 11217 C C6 . AMP S 5 . ? 15.567 32.658 -35.815 1.00 47.56 ? 1005 AMP B C6 1 HETATM 11218 N N6 . AMP S 5 . ? 14.678 32.601 -34.794 1.00 47.92 ? 1005 AMP B N6 1 HETATM 11219 N N1 . AMP S 5 . ? 15.274 32.138 -37.028 1.00 46.62 ? 1005 AMP B N1 1 HETATM 11220 C C2 . AMP S 5 . ? 16.149 32.188 -38.049 1.00 49.28 ? 1005 AMP B C2 1 HETATM 11221 N N3 . AMP S 5 . ? 17.369 32.749 -37.958 1.00 52.57 ? 1005 AMP B N3 1 HETATM 11222 C C4 . AMP S 5 . ? 17.794 33.312 -36.802 1.00 51.73 ? 1005 AMP B C4 1 HETATM 11223 ZN ZN . ZN T 6 . ? 24.756 32.914 -31.993 1.00 43.87 ? 1006 ZN B ZN 1 HETATM 11224 ZN ZN . ZN U 6 . ? 27.333 33.631 -34.752 1.00 39.28 ? 1007 ZN B ZN 1 HETATM 11225 CA CA . CA V 7 . ? 22.798 3.785 -21.024 1.00 54.15 ? 1008 CA B CA 1 HETATM 11226 O O . HOH W 8 . ? 29.497 45.723 4.176 1.00 13.55 ? 1101 HOH A O 1 HETATM 11227 O O . HOH W 8 . ? 30.782 40.873 23.986 1.00 23.39 ? 1102 HOH A O 1 HETATM 11228 O O . HOH W 8 . ? 14.709 36.686 35.898 1.00 23.98 ? 1103 HOH A O 1 HETATM 11229 O O . HOH W 8 . ? 23.719 25.504 7.857 1.00 15.57 ? 1104 HOH A O 1 HETATM 11230 O O . HOH W 8 . ? 27.475 24.908 13.175 1.00 17.67 ? 1105 HOH A O 1 HETATM 11231 O O . HOH W 8 . ? 29.424 57.800 8.743 1.00 27.62 ? 1106 HOH A O 1 HETATM 11232 O O . HOH W 8 . ? 35.728 52.199 11.829 1.00 17.69 ? 1107 HOH A O 1 HETATM 11233 O O . HOH W 8 . ? 16.973 26.727 19.720 1.00 15.80 ? 1108 HOH A O 1 HETATM 11234 O O . HOH W 8 . ? 0.455 16.393 32.798 1.00 5.42 ? 1109 HOH A O 1 HETATM 11235 O O . HOH W 8 . ? 15.054 22.248 9.818 1.00 8.91 ? 1110 HOH A O 1 HETATM 11236 O O . HOH W 8 . ? 14.079 30.618 17.212 1.00 12.28 ? 1111 HOH A O 1 HETATM 11237 O O . HOH W 8 . ? 29.058 30.474 39.924 1.00 10.19 ? 1112 HOH A O 1 HETATM 11238 O O . HOH W 8 . ? 26.929 39.308 -2.365 1.00 11.65 ? 1113 HOH A O 1 HETATM 11239 O O . HOH W 8 . ? 43.056 9.399 21.064 1.00 35.40 ? 1114 HOH A O 1 HETATM 11240 O O . HOH W 8 . ? 19.557 39.009 10.427 1.00 25.14 ? 1115 HOH A O 1 HETATM 11241 O O . HOH W 8 . ? 34.565 34.689 35.292 1.00 21.29 ? 1116 HOH A O 1 HETATM 11242 O O . HOH W 8 . ? 36.555 47.188 36.519 1.00 36.77 ? 1117 HOH A O 1 HETATM 11243 O O . HOH W 8 . ? 37.666 21.053 26.131 1.00 22.78 ? 1118 HOH A O 1 HETATM 11244 O O . HOH W 8 . ? 20.491 34.766 20.726 1.00 7.98 ? 1119 HOH A O 1 HETATM 11245 O O . HOH W 8 . ? 39.203 61.945 17.045 1.00 20.78 ? 1120 HOH A O 1 HETATM 11246 O O . HOH W 8 . ? 32.402 46.615 52.470 1.00 16.38 ? 1121 HOH A O 1 HETATM 11247 O O . HOH W 8 . ? 22.313 42.788 4.229 1.00 32.41 ? 1122 HOH A O 1 HETATM 11248 O O . HOH W 8 . ? 33.997 14.684 9.192 1.00 27.78 ? 1123 HOH A O 1 HETATM 11249 O O . HOH W 8 . ? 21.183 18.958 4.530 1.00 31.33 ? 1124 HOH A O 1 HETATM 11250 O O . HOH W 8 . ? 44.021 55.538 29.286 1.00 22.78 ? 1125 HOH A O 1 HETATM 11251 O O . HOH W 8 . ? 37.648 60.124 28.638 1.00 25.69 ? 1126 HOH A O 1 HETATM 11252 O O . HOH W 8 . ? 31.459 13.219 12.747 1.00 14.51 ? 1127 HOH A O 1 HETATM 11253 O O . HOH W 8 . ? 18.346 26.852 16.297 1.00 13.16 ? 1128 HOH A O 1 HETATM 11254 O O . HOH W 8 . ? 14.288 3.339 42.422 1.00 23.58 ? 1129 HOH A O 1 HETATM 11255 O O . HOH W 8 . ? 29.712 29.285 17.256 1.00 18.41 ? 1130 HOH A O 1 HETATM 11256 O O . HOH W 8 . ? 16.516 54.583 -1.912 1.00 32.05 ? 1131 HOH A O 1 HETATM 11257 O O . HOH W 8 . ? 16.615 44.809 31.434 1.00 23.57 ? 1132 HOH A O 1 HETATM 11258 O O . HOH W 8 . ? 38.677 27.934 34.083 1.00 30.89 ? 1133 HOH A O 1 HETATM 11259 O O . HOH W 8 . ? 30.417 35.302 -3.974 1.00 10.43 ? 1134 HOH A O 1 HETATM 11260 O O . HOH W 8 . ? 15.854 42.401 18.475 1.00 16.21 ? 1135 HOH A O 1 HETATM 11261 O O . HOH W 8 . ? 24.500 69.391 8.824 1.00 50.57 ? 1136 HOH A O 1 HETATM 11262 O O . HOH W 8 . ? 20.958 34.428 1.454 1.00 33.92 ? 1137 HOH A O 1 HETATM 11263 O O . HOH W 8 . ? 33.744 26.493 43.308 1.00 32.44 ? 1138 HOH A O 1 HETATM 11264 O O . HOH W 8 . ? 23.706 51.246 15.412 1.00 28.99 ? 1139 HOH A O 1 HETATM 11265 O O . HOH W 8 . ? 18.260 30.922 1.388 1.00 10.31 ? 1140 HOH A O 1 HETATM 11266 O O . HOH W 8 . ? 15.203 0.268 14.020 1.00 30.03 ? 1141 HOH A O 1 HETATM 11267 O O . HOH W 8 . ? 17.217 3.488 3.892 1.00 22.16 ? 1142 HOH A O 1 HETATM 11268 O O . HOH W 8 . ? 39.744 38.751 2.235 1.00 33.64 ? 1143 HOH A O 1 HETATM 11269 O O . HOH W 8 . ? 29.949 27.628 13.782 1.00 42.78 ? 1144 HOH A O 1 HETATM 11270 O O . HOH W 8 . ? 33.010 32.985 55.173 1.00 31.72 ? 1145 HOH A O 1 HETATM 11271 O O . HOH W 8 . ? 32.974 47.102 30.540 1.00 49.54 ? 1146 HOH A O 1 HETATM 11272 O O . HOH W 8 . ? 20.397 3.802 3.395 1.00 18.24 ? 1147 HOH A O 1 HETATM 11273 O O . HOH W 8 . ? 30.011 30.065 -0.012 1.00 19.34 ? 1148 HOH A O 1 HETATM 11274 O O . HOH W 8 . ? 18.246 51.756 19.251 1.00 9.12 ? 1149 HOH A O 1 HETATM 11275 O O . HOH W 8 . ? 23.442 42.676 28.709 1.00 27.14 ? 1150 HOH A O 1 HETATM 11276 O O . HOH W 8 . ? 19.374 55.415 -2.615 1.00 28.86 ? 1151 HOH A O 1 HETATM 11277 O O . HOH W 8 . ? 41.038 0.409 22.598 1.00 29.58 ? 1152 HOH A O 1 HETATM 11278 O O . HOH W 8 . ? 25.869 28.821 17.315 1.00 18.93 ? 1153 HOH A O 1 HETATM 11279 O O . HOH W 8 . ? 18.081 35.976 20.924 1.00 21.10 ? 1154 HOH A O 1 HETATM 11280 O O . HOH W 8 . ? 18.302 28.884 3.877 1.00 27.89 ? 1155 HOH A O 1 HETATM 11281 O O . HOH W 8 . ? 18.341 56.525 1.089 1.00 35.76 ? 1156 HOH A O 1 HETATM 11282 O O . HOH W 8 . ? 5.214 39.923 27.625 1.00 15.65 ? 1157 HOH A O 1 HETATM 11283 O O . HOH W 8 . ? 37.111 14.521 18.549 1.00 30.64 ? 1158 HOH A O 1 HETATM 11284 O O . HOH W 8 . ? 34.386 47.557 34.170 1.00 24.64 ? 1159 HOH A O 1 HETATM 11285 O O . HOH W 8 . ? 19.706 73.173 25.595 1.00 25.08 ? 1160 HOH A O 1 HETATM 11286 O O . HOH W 8 . ? 14.499 6.452 43.819 1.00 22.68 ? 1161 HOH A O 1 HETATM 11287 O O . HOH W 8 . ? 39.552 31.778 -6.353 1.00 22.53 ? 1162 HOH A O 1 HETATM 11288 O O . HOH W 8 . ? 34.220 51.904 49.568 1.00 40.04 ? 1163 HOH A O 1 HETATM 11289 O O . HOH W 8 . ? 1.936 13.266 33.704 1.00 26.32 ? 1164 HOH A O 1 HETATM 11290 O O . HOH W 8 . ? 9.727 1.733 8.606 1.00 24.81 ? 1165 HOH A O 1 HETATM 11291 O O . HOH W 8 . ? 37.313 54.017 50.004 1.00 19.72 ? 1166 HOH A O 1 HETATM 11292 O O . HOH W 8 . ? 42.915 31.867 21.262 1.00 18.88 ? 1167 HOH A O 1 HETATM 11293 O O . HOH W 8 . ? 25.342 59.272 -5.165 1.00 26.92 ? 1168 HOH A O 1 HETATM 11294 O O . HOH W 8 . ? 15.426 17.667 38.094 1.00 64.74 ? 1169 HOH A O 1 HETATM 11295 O O . HOH W 8 . ? 40.712 27.067 28.962 1.00 12.67 ? 1170 HOH A O 1 HETATM 11296 O O . HOH X 8 . ? 30.447 9.563 -1.862 1.00 21.04 ? 1101 HOH B O 1 HETATM 11297 O O . HOH X 8 . ? 23.180 26.544 -4.449 1.00 4.69 ? 1102 HOH B O 1 HETATM 11298 O O . HOH X 8 . ? 24.223 17.291 -26.971 1.00 1.52 ? 1103 HOH B O 1 HETATM 11299 O O . HOH X 8 . ? 29.247 23.437 -36.358 1.00 6.17 ? 1104 HOH B O 1 HETATM 11300 O O . HOH X 8 . ? 12.045 54.166 -9.340 1.00 10.47 ? 1105 HOH B O 1 HETATM 11301 O O . HOH X 8 . ? 32.144 18.382 -10.632 1.00 13.23 ? 1106 HOH B O 1 HETATM 11302 O O . HOH X 8 . ? 25.914 23.515 -14.230 1.00 22.14 ? 1107 HOH B O 1 HETATM 11303 O O . HOH X 8 . ? 14.338 18.772 1.896 1.00 26.97 ? 1108 HOH B O 1 HETATM 11304 O O . HOH X 8 . ? 28.447 17.584 -18.702 1.00 21.23 ? 1109 HOH B O 1 HETATM 11305 O O . HOH X 8 . ? 14.177 27.904 -6.102 1.00 18.65 ? 1110 HOH B O 1 HETATM 11306 O O . HOH X 8 . ? 22.534 16.191 -16.825 1.00 25.31 ? 1111 HOH B O 1 HETATM 11307 O O . HOH X 8 . ? 18.769 41.836 -8.590 1.00 22.26 ? 1112 HOH B O 1 HETATM 11308 O O . HOH X 8 . ? 29.861 12.084 -25.925 1.00 39.34 ? 1113 HOH B O 1 HETATM 11309 O O . HOH X 8 . ? 36.525 10.663 -4.010 1.00 19.32 ? 1114 HOH B O 1 HETATM 11310 O O . HOH X 8 . ? 45.003 25.822 -30.776 1.00 20.15 ? 1115 HOH B O 1 HETATM 11311 O O . HOH X 8 . ? 30.189 25.837 -10.460 1.00 22.49 ? 1116 HOH B O 1 HETATM 11312 O O . HOH X 8 . ? 13.699 56.470 -8.596 1.00 17.09 ? 1117 HOH B O 1 HETATM 11313 O O . HOH X 8 . ? 31.928 19.681 -21.661 1.00 26.14 ? 1118 HOH B O 1 HETATM 11314 O O . HOH X 8 . ? 10.378 58.912 -13.961 1.00 18.56 ? 1119 HOH B O 1 HETATM 11315 O O . HOH X 8 . ? 27.740 53.010 -30.672 1.00 20.34 ? 1120 HOH B O 1 HETATM 11316 O O . HOH X 8 . ? 23.582 13.838 -5.241 1.00 49.20 ? 1121 HOH B O 1 HETATM 11317 O O . HOH X 8 . ? 24.057 37.409 -35.763 1.00 31.01 ? 1122 HOH B O 1 HETATM 11318 O O . HOH X 8 . ? 37.602 17.434 -13.484 1.00 40.99 ? 1123 HOH B O 1 HETATM 11319 O O . HOH X 8 . ? 14.198 42.747 3.729 1.00 36.72 ? 1124 HOH B O 1 HETATM 11320 O O . HOH X 8 . ? 29.332 36.443 -18.286 1.00 30.46 ? 1125 HOH B O 1 HETATM 11321 O O . HOH X 8 . ? 45.626 -1.684 -11.795 1.00 33.76 ? 1126 HOH B O 1 HETATM 11322 O O . HOH X 8 . ? 33.771 8.533 -24.881 1.00 31.23 ? 1127 HOH B O 1 HETATM 11323 O O . HOH X 8 . ? 35.011 34.769 -23.091 1.00 27.67 ? 1128 HOH B O 1 HETATM 11324 O O . HOH X 8 . ? 5.288 48.791 -31.420 1.00 45.27 ? 1129 HOH B O 1 HETATM 11325 O O . HOH X 8 . ? 10.698 44.783 2.532 1.00 23.82 ? 1130 HOH B O 1 HETATM 11326 O O . HOH X 8 . ? 34.130 8.431 -0.437 1.00 44.38 ? 1131 HOH B O 1 HETATM 11327 O O . HOH X 8 . ? 19.663 52.112 -2.129 1.00 33.70 ? 1132 HOH B O 1 HETATM 11328 O O . HOH X 8 . ? 44.874 30.928 -27.946 1.00 19.48 ? 1133 HOH B O 1 HETATM 11329 O O . HOH X 8 . ? 42.007 -2.651 -31.606 1.00 27.44 ? 1134 HOH B O 1 HETATM 11330 O O . HOH X 8 . ? 30.624 14.240 5.873 1.00 37.67 ? 1135 HOH B O 1 HETATM 11331 O O . HOH X 8 . ? 33.324 14.486 5.930 1.00 19.97 ? 1136 HOH B O 1 HETATM 11332 O O . HOH X 8 . ? 18.745 16.666 -48.793 1.00 18.73 ? 1137 HOH B O 1 HETATM 11333 O O . HOH X 8 . ? 18.223 -0.216 -12.908 1.00 25.63 ? 1138 HOH B O 1 HETATM 11334 O O . HOH X 8 . ? 20.033 1.106 -20.910 1.00 44.52 ? 1139 HOH B O 1 HETATM 11335 O O . HOH X 8 . ? 14.409 10.200 -18.394 1.00 21.36 ? 1140 HOH B O 1 HETATM 11336 O O . HOH X 8 . ? 37.406 39.848 -15.195 1.00 19.78 ? 1141 HOH B O 1 HETATM 11337 O O . HOH X 8 . ? 27.588 29.545 -1.810 1.00 57.68 ? 1142 HOH B O 1 HETATM 11338 O O . HOH X 8 . ? 45.790 25.790 -43.492 1.00 25.49 ? 1143 HOH B O 1 HETATM 11339 O O . HOH X 8 . ? 20.359 57.624 -7.538 1.00 16.97 ? 1144 HOH B O 1 HETATM 11340 O O . HOH X 8 . ? 16.792 18.067 -6.926 1.00 21.47 ? 1145 HOH B O 1 HETATM 11341 O O . HOH X 8 . ? 2.330 18.401 -19.579 1.00 36.54 ? 1146 HOH B O 1 HETATM 11342 O O . HOH X 8 . ? 46.459 16.862 -15.345 1.00 41.02 ? 1147 HOH B O 1 HETATM 11343 O O . HOH X 8 . ? 11.445 19.131 -21.698 1.00 22.88 ? 1148 HOH B O 1 HETATM 11344 O O . HOH X 8 . ? 12.365 32.401 -34.098 1.00 30.38 ? 1149 HOH B O 1 HETATM 11345 O O . HOH X 8 . ? 20.496 -1.927 -12.979 1.00 30.37 ? 1150 HOH B O 1 HETATM 11346 O O . HOH X 8 . ? 25.035 -0.831 -15.001 1.00 11.76 ? 1151 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 . LYS A 88 ? 0.7475 0.5585 0.7991 -0.0772 -0.0494 0.0341 170 LYS A N 2 C CA . LYS A 88 ? 0.7250 0.5415 0.7680 -0.0712 -0.0515 0.0314 170 LYS A CA 3 C C . LYS A 88 ? 0.7494 0.5693 0.7878 -0.0714 -0.0452 0.0333 170 LYS A C 4 O O . LYS A 88 ? 0.6606 0.4856 0.7047 -0.0743 -0.0417 0.0330 170 LYS A O 5 C CB . LYS A 88 ? 0.4903 0.3158 0.5363 -0.0674 -0.0578 0.0246 170 LYS A CB 6 N N . SER A 89 ? 0.7075 0.5245 0.7356 -0.0682 -0.0437 0.0353 171 SER A N 7 C CA . SER A 89 ? 0.7112 0.5300 0.7336 -0.0676 -0.0375 0.0371 171 SER A CA 8 C C . SER A 89 ? 0.6639 0.4933 0.6864 -0.0646 -0.0396 0.0312 171 SER A C 9 O O . SER A 89 ? 0.6790 0.5140 0.7040 -0.0620 -0.0462 0.0262 171 SER A O 10 C CB . SER A 89 ? 0.7365 0.5487 0.7472 -0.0648 -0.0363 0.0407 171 SER A CB 11 O OG . SER A 89 ? 0.7528 0.5682 0.7576 -0.0603 -0.0436 0.0362 171 SER A OG 12 N N . TRP A 90 ? 0.5999 0.4315 0.6197 -0.0647 -0.0336 0.0322 172 TRP A N 13 C CA . TRP A 90 ? 0.4838 0.3246 0.5036 -0.0619 -0.0344 0.0272 172 TRP A CA 14 C C . TRP A 90 ? 0.4899 0.3335 0.5016 -0.0565 -0.0404 0.0232 172 TRP A C 15 O O . TRP A 90 ? 0.3813 0.2328 0.3950 -0.0538 -0.0444 0.0184 172 TRP A O 16 C CB . TRP A 90 ? 0.3728 0.2135 0.3902 -0.0628 -0.0259 0.0299 172 TRP A CB 17 C CG . TRP A 90 ? 0.4914 0.3406 0.5089 -0.0601 -0.0260 0.0251 172 TRP A CG 18 C CD1 . TRP A 90 ? 0.5807 0.4372 0.6065 -0.0618 -0.0255 0.0227 172 TRP A CD1 19 C CD2 . TRP A 90 ? 0.4517 0.3025 0.4602 -0.0553 -0.0270 0.0223 172 TRP A CD2 20 N NE1 . TRP A 90 ? 0.5494 0.4117 0.5720 -0.0580 -0.0255 0.0189 172 TRP A NE1 21 C CE2 . TRP A 90 ? 0.4646 0.3234 0.4767 -0.0541 -0.0263 0.0185 172 TRP A CE2 22 C CE3 . TRP A 90 ? 0.4534 0.2998 0.4509 -0.0522 -0.0288 0.0227 172 TRP A CE3 23 C CZ2 . TRP A 90 ? 0.4549 0.3168 0.4603 -0.0498 -0.0268 0.0152 172 TRP A CZ2 24 C CZ3 . TRP A 90 ? 0.5563 0.4061 0.5466 -0.0484 -0.0300 0.0192 172 TRP A CZ3 25 C CH2 . TRP A 90 ? 0.5022 0.3595 0.4968 -0.0472 -0.0287 0.0156 172 TRP A CH2 26 N N . VAL A 91 ? 0.5651 0.4024 0.5674 -0.0550 -0.0410 0.0255 173 VAL A N 27 C CA . VAL A 91 ? 0.5561 0.3959 0.5499 -0.0505 -0.0470 0.0222 173 VAL A CA 28 C C . VAL A 91 ? 0.5671 0.4098 0.5650 -0.0488 -0.0548 0.0195 173 VAL A C 29 O O . VAL A 91 ? 0.6702 0.5183 0.6649 -0.0449 -0.0598 0.0160 173 VAL A O 30 C CB . VAL A 91 ? 0.5498 0.3815 0.5317 -0.0498 -0.0462 0.0256 173 VAL A CB 31 C CG1 . VAL A 91 ? 0.6214 0.4449 0.6045 -0.0519 -0.0469 0.0301 173 VAL A CG1 32 C CG2 . VAL A 91 ? 0.4698 0.3044 0.4420 -0.0458 -0.0524 0.0219 173 VAL A CG2 33 N N . GLU A 92 ? 0.4907 0.3292 0.4958 -0.0516 -0.0555 0.0214 174 GLU A N 34 C CA . GLU A 92 ? 0.5810 0.4209 0.5905 -0.0499 -0.0623 0.0192 174 GLU A CA 35 C C . GLU A 92 ? 0.6369 0.4853 0.6549 -0.0488 -0.0645 0.0150 174 GLU A C 36 O O . GLU A 92 ? 0.6116 0.4632 0.6318 -0.0456 -0.0702 0.0124 174 GLU A O 37 C CB . GLU A 92 ? 0.6573 0.4882 0.6709 -0.0533 -0.0622 0.0228 174 GLU A CB 38 C CG . GLU A 92 ? 0.7087 0.5307 0.7137 -0.0534 -0.0613 0.0273 174 GLU A CG 39 C CD . GLU A 92 ? 0.7456 0.5581 0.7550 -0.0566 -0.0603 0.0315 174 GLU A CD 40 O OE1 . GLU A 92 ? 0.5261 0.3384 0.5450 -0.0597 -0.0595 0.0311 174 GLU A OE1 41 O OE2 . GLU A 92 ? 0.9144 0.7191 0.9173 -0.0562 -0.0605 0.0354 174 GLU A OE2 42 N N . GLU A 93 ? 0.6259 0.4779 0.6488 -0.0512 -0.0598 0.0147 175 GLU A N 43 C CA . GLU A 93 ? 0.4229 0.2829 0.4535 -0.0502 -0.0616 0.0110 175 GLU A CA 44 C C . GLU A 93 ? 0.4288 0.2967 0.4549 -0.0452 -0.0629 0.0079 175 GLU A C 45 O O . GLU A 93 ? 0.4824 0.3500 0.5001 -0.0437 -0.0607 0.0085 175 GLU A O 46 C CB . GLU A 93 ? 0.3908 0.2519 0.4288 -0.0551 -0.0564 0.0121 175 GLU A CB 47 C CG . GLU A 93 ? 0.6893 0.5437 0.7341 -0.0604 -0.0556 0.0149 175 GLU A CG 48 C CD . GLU A 93 ? 0.9649 0.8218 1.0178 -0.0656 -0.0511 0.0160 175 GLU A CD 49 O OE1 . GLU A 93 ? 1.0253 0.8867 1.0766 -0.0656 -0.0467 0.0162 175 GLU A OE1 50 O OE2 . GLU A 93 ? 1.0688 0.9231 1.1298 -0.0699 -0.0521 0.0168 175 GLU A OE2 51 N N . THR A 94 ? 0.4143 0.2887 0.4460 -0.0425 -0.0664 0.0047 176 THR A N 52 C CA . THR A 94 ? 0.4931 0.3750 0.5217 -0.0375 -0.0675 0.0022 176 THR A CA 53 C C . THR A 94 ? 0.5017 0.3883 0.5319 -0.0386 -0.0625 0.0014 176 THR A C 54 O O . THR A 94 ? 0.5681 0.4525 0.6018 -0.0433 -0.0582 0.0029 176 THR A O 55 C CB . THR A 94 ? 0.6238 0.5103 0.6577 -0.0336 -0.0728 -0.0005 176 THR A CB 56 O OG1 . THR A 94 ? 0.7057 0.5989 0.7366 -0.0287 -0.0733 -0.0021 176 THR A OG1 57 C CG2 . THR A 94 ? 0.6779 0.5659 0.7218 -0.0362 -0.0726 -0.0020 176 THR A CG2 58 N N . CYS A 95 ? 0.4930 0.3860 0.5211 -0.0344 -0.0629 -0.0007 177 CYS A N 59 C CA . CYS A 95 ? 0.3872 0.2850 0.4166 -0.0347 -0.0584 -0.0018 177 CYS A CA 60 C C . CYS A 95 ? 0.4127 0.3146 0.4525 -0.0365 -0.0586 -0.0032 177 CYS A C 61 O O . CYS A 95 ? 0.4212 0.3252 0.4663 -0.0347 -0.0631 -0.0048 177 CYS A O 62 C CB . CYS A 95 ? 0.2463 0.1492 0.2706 -0.0296 -0.0590 -0.0034 177 CYS A CB 63 S SG . CYS A 95 ? 1.0983 0.9968 1.1097 -0.0276 -0.0593 -0.0020 177 CYS A SG 64 N N . GLU A 96 ? 0.4145 0.3176 0.4573 -0.0402 -0.0537 -0.0026 178 GLU A N 65 C CA . GLU A 96 ? 0.5354 0.4433 0.5880 -0.0424 -0.0540 -0.0039 178 GLU A CA 66 C C . GLU A 96 ? 0.5604 0.4740 0.6133 -0.0419 -0.0499 -0.0048 178 GLU A C 67 O O . GLU A 96 ? 0.6142 0.5254 0.6631 -0.0440 -0.0445 -0.0030 178 GLU A O 68 C CB . GLU A 96 ? 0.6094 0.5134 0.6685 -0.0490 -0.0527 -0.0016 178 GLU A CB 69 C CG . GLU A 96 ? 0.7947 0.6930 0.8555 -0.0500 -0.0570 -0.0011 178 GLU A CG 70 C CD . GLU A 96 ? 0.9301 0.8250 0.9986 -0.0569 -0.0557 0.0011 178 GLU A CD 71 O OE1 . GLU A 96 ? 0.9727 0.8704 1.0453 -0.0610 -0.0514 0.0026 178 GLU A OE1 72 O OE2 . GLU A 96 ? 0.9199 0.8094 0.9906 -0.0583 -0.0589 0.0014 178 GLU A OE2 73 N N . SER A 97 ? 0.5391 0.4593 0.5966 -0.0391 -0.0523 -0.0074 179 SER A N 74 C CA . SER A 97 ? 0.5505 0.4764 0.6088 -0.0381 -0.0490 -0.0083 179 SER A CA 75 C C . SER A 97 ? 0.4802 0.4080 0.5456 -0.0443 -0.0455 -0.0068 179 SER A C 76 O O . SER A 97 ? 0.5366 0.4669 0.6109 -0.0476 -0.0479 -0.0070 179 SER A O 77 C CB . SER A 97 ? 0.5847 0.5169 0.6464 -0.0333 -0.0526 -0.0112 179 SER A CB 78 O OG . SER A 97 ? 0.6959 0.6299 0.7664 -0.0354 -0.0560 -0.0125 179 SER A OG 79 N N . ILE A 98 ? 0.4265 0.3532 0.4882 -0.0459 -0.0396 -0.0050 180 ILE A N 80 C CA . ILE A 98 ? 0.4067 0.3365 0.4758 -0.0518 -0.0356 -0.0025 180 ILE A CA 81 C C . ILE A 98 ? 0.4471 0.3845 0.5189 -0.0502 -0.0340 -0.0038 180 ILE A C 82 O O . ILE A 98 ? 0.4959 0.4321 0.5639 -0.0507 -0.0282 -0.0021 180 ILE A O 83 C CB . ILE A 98 ? 0.3915 0.3136 0.4550 -0.0553 -0.0291 0.0016 180 ILE A CB 84 C CG1 . ILE A 98 ? 0.3682 0.2817 0.4256 -0.0549 -0.0306 0.0024 180 ILE A CG1 85 C CG2 . ILE A 98 ? 0.3427 0.2687 0.4160 -0.0622 -0.0256 0.0056 180 ILE A CG2 86 C CD1 . ILE A 98 ? 0.2350 0.1397 0.2861 -0.0577 -0.0239 0.0067 180 ILE A CD1 87 N N . ASP A 99 ? 0.3931 0.3377 0.4714 -0.0481 -0.0387 -0.0067 181 ASP A N 88 C CA . ASP A 99 ? 0.4422 0.3949 0.5241 -0.0463 -0.0379 -0.0081 181 ASP A CA 89 C C . ASP A 99 ? 0.5253 0.4853 0.6169 -0.0526 -0.0344 -0.0050 181 ASP A C 90 O O . ASP A 99 ? 0.4942 0.4588 0.5900 -0.0520 -0.0319 -0.0033 181 ASP A O 91 C CB . ASP A 99 ? 0.5146 0.4724 0.6008 -0.0428 -0.0437 -0.0117 181 ASP A CB 92 C CG . ASP A 99 ? 0.7671 0.7196 0.8458 -0.0366 -0.0469 -0.0137 181 ASP A CG 93 O OD1 . ASP A 99 ? 0.7668 0.7147 0.8364 -0.0338 -0.0447 -0.0130 181 ASP A OD1 94 O OD2 . ASP A 99 ? 0.9319 0.8852 1.0138 -0.0349 -0.0516 -0.0157 181 ASP A OD2 95 N N . THR A 100 ? 0.6547 0.6165 0.7543 -0.0583 -0.0356 -0.0032 182 THR A N 96 C CA . THR A 100 ? 0.6793 0.6501 0.7933 -0.0646 -0.0335 0.0015 182 THR A CA 97 C C . THR A 100 ? 0.6169 0.5808 0.7314 -0.0696 -0.0303 0.0065 182 THR A C 98 O O . THR A 100 ? 0.5885 0.5454 0.6971 -0.0711 -0.0316 0.0047 182 THR A O 99 C CB . THR A 100 ? 0.7899 0.7718 0.9148 -0.0680 -0.0377 -0.0007 182 THR A CB 100 O OG1 . THR A 100 ? 0.7761 0.7631 0.8987 -0.0629 -0.0407 -0.0053 182 THR A OG1 101 C CG2 . THR A 100 ? 0.8617 0.8567 1.0064 -0.0738 -0.0365 0.0054 182 THR A CG2 102 N N . PRO A 101 ? 0.5753 0.5413 0.6978 -0.0719 -0.0256 0.0139 183 PRO A N 103 C CA . PRO A 101 ? 0.5046 0.4638 0.6267 -0.0763 -0.0213 0.0202 183 PRO A CA 104 C C . PRO A 101 ? 0.5624 0.5263 0.6949 -0.0829 -0.0232 0.0216 183 PRO A C 105 O O . PRO A 101 ? 0.5852 0.5631 0.7339 -0.0865 -0.0243 0.0236 183 PRO A O 106 C CB . PRO A 101 ? 0.5194 0.4850 0.6515 -0.0768 -0.0145 0.0291 183 PRO A CB 107 C CG . PRO A 101 ? 0.6391 0.6198 0.7841 -0.0747 -0.0163 0.0279 183 PRO A CG 108 C CD . PRO A 101 ? 0.6474 0.6228 0.7802 -0.0699 -0.0228 0.0177 183 PRO A CD 109 N N . GLU A 102 ? 0.6777 0.6301 0.8010 -0.0845 -0.0233 0.0206 184 GLU A N 110 C CA . GLU A 102 ? 0.6608 0.6147 0.7927 -0.0910 -0.0245 0.0223 184 GLU A CA 111 C C . GLU A 102 ? 0.7366 0.6890 0.8742 -0.0958 -0.0186 0.0319 184 GLU A C 112 O O . GLU A 102 ? 0.6557 0.5954 0.7830 -0.0961 -0.0163 0.0336 184 GLU A O 113 C CB . GLU A 102 ? 0.4677 0.4107 0.5891 -0.0897 -0.0280 0.0166 184 GLU A CB 114 N N . CYS A 103 ? 0.8344 0.8005 0.9881 -0.0992 -0.0153 0.0389 185 CYS A N 115 C CA . CYS A 103 ? 0.8676 0.8339 1.0262 -0.1029 -0.0080 0.0494 185 CYS A CA 116 C C . CYS A 103 ? 0.8812 0.8539 1.0537 -0.1106 -0.0084 0.0530 185 CYS A C 117 O O . CYS A 103 ? 1.0137 0.9985 1.1990 -0.1137 -0.0125 0.0502 185 CYS A O 118 C CB . CYS A 103 ? 0.8771 0.8557 1.0444 -0.1006 -0.0013 0.0572 185 CYS A CB 119 S SG . CYS A 103 ? 0.7260 0.6964 0.8780 -0.0920 0.0006 0.0543 185 CYS A SG 120 N N . PRO A 104 ? 0.7740 0.7382 0.9432 -0.1140 -0.0041 0.0591 186 PRO A N 121 C CA . PRO A 104 ? 0.7723 0.7411 0.9541 -0.1217 -0.0029 0.0643 186 PRO A CA 122 C C . PRO A 104 ? 0.9241 0.9135 1.1255 -0.1246 0.0016 0.0722 186 PRO A C 123 O O . PRO A 104 ? 0.9736 0.9720 1.1771 -0.1200 0.0055 0.0752 186 PRO A O 124 C CB . PRO A 104 ? 0.6401 0.5950 0.8110 -0.1222 0.0028 0.0708 186 PRO A CB 125 C CG . PRO A 104 ? 0.7141 0.6539 0.8647 -0.1155 0.0013 0.0651 186 PRO A CG 126 C CD . PRO A 104 ? 0.7397 0.6875 0.8906 -0.1102 -0.0002 0.0610 186 PRO A CD 127 N N . ALA A 105 ? 1.0123 1.0095 1.2280 -0.1319 0.0015 0.0756 187 ALA A N 128 C CA . ALA A 105 ? 1.0290 1.0476 1.2641 -0.1347 0.0061 0.0834 187 ALA A CA 129 C C . ALA A 105 ? 1.0714 1.0922 1.3041 -0.1314 0.0172 0.0949 187 ALA A C 130 O O . ALA A 105 ? 1.1806 1.1851 1.3974 -0.1293 0.0205 0.0969 187 ALA A O 131 C CB . ALA A 105 ? 1.0194 1.0443 1.2692 -0.1437 0.0042 0.0851 187 ALA A CB 132 N N . GLU A 106 ? 0.9704 1.0116 1.2177 -0.1304 0.0232 0.1022 188 GLU A N 133 C CA . GLU A 106 ? 0.9975 1.0443 1.2430 -0.1257 0.0352 0.1134 188 GLU A CA 134 C C . GLU A 106 ? 1.0090 1.0494 1.2397 -0.1165 0.0382 0.1116 188 GLU A C 135 O O . GLU A 106 ? 1.0705 1.1149 1.2970 -0.1109 0.0488 0.1197 188 GLU A O 136 C CB . GLU A 106 ? 0.9808 1.0163 1.2189 -0.1287 0.0412 0.1208 188 GLU A CB 137 N N . PHE A 107 ? 0.9976 1.0274 1.2192 -0.1147 0.0295 0.1007 189 PHE A N 138 C CA . PHE A 107 ? 0.9939 1.0175 1.2026 -0.1066 0.0314 0.0982 189 PHE A CA 139 C C . PHE A 107 ? 0.9720 1.0103 1.1918 -0.1040 0.0267 0.0929 189 PHE A C 140 O O . PHE A 107 ? 1.0277 1.0671 1.2523 -0.1075 0.0167 0.0843 189 PHE A O 141 C CB . PHE A 107 ? 0.9167 0.9160 1.1040 -0.1053 0.0256 0.0901 189 PHE A CB 142 C CG . PHE A 107 ? 0.8662 0.8499 1.0374 -0.1047 0.0319 0.0957 189 PHE A CG 143 C CD1 . PHE A 107 ? 0.8902 0.8648 1.0592 -0.1104 0.0299 0.0966 189 PHE A CD1 144 C CD2 . PHE A 107 ? 0.8284 0.8057 0.9850 -0.0979 0.0399 0.0999 189 PHE A CD2 145 C CE1 . PHE A 107 ? 0.9040 0.8643 1.0571 -0.1095 0.0355 0.1019 189 PHE A CE1 146 C CE2 . PHE A 107 ? 0.8518 0.8143 0.9910 -0.0969 0.0453 0.1047 189 PHE A CE2 147 C CZ . PHE A 107 ? 0.8841 0.8386 1.0219 -0.1028 0.0429 0.1058 189 PHE A CZ 148 N N . GLU A 108 ? 0.8407 0.8900 1.0630 -0.0972 0.0346 0.0980 190 GLU A N 149 C CA . GLU A 108 ? 0.8552 0.9194 1.0878 -0.0938 0.0314 0.0940 190 GLU A CA 150 C C . GLU A 108 ? 0.7609 0.8114 0.9786 -0.0879 0.0285 0.0868 190 GLU A C 151 O O . GLU A 108 ? 0.7581 0.8127 0.9793 -0.0867 0.0208 0.0789 190 GLU A O 152 C CB . GLU A 108 ? 0.9808 1.0676 1.2262 -0.0888 0.0421 0.1039 190 GLU A CB 153 C CG . GLU A 108 ? 1.0419 1.1480 1.3007 -0.0857 0.0384 0.1005 190 GLU A CG 154 C CD . GLU A 108 ? 1.1209 1.2494 1.3906 -0.0794 0.0495 0.1102 190 GLU A CD 155 O OE1 . GLU A 108 ? 1.1910 1.3178 1.4549 -0.0759 0.0611 0.1191 190 GLU A OE1 156 O OE2 . GLU A 108 ? 1.1018 1.2491 1.3842 -0.0773 0.0466 0.1087 190 GLU A OE2 157 N N . SER A 109 ? 0.6928 0.7263 0.8926 -0.0840 0.0349 0.0894 191 SER A N 158 C CA . SER A 109 ? 0.6328 0.6506 0.8162 -0.0786 0.0332 0.0830 191 SER A CA 159 C C . SER A 109 ? 0.6774 0.6710 0.8378 -0.0782 0.0348 0.0827 191 SER A C 160 O O . SER A 109 ? 0.7938 0.7852 0.9498 -0.0787 0.0428 0.0909 191 SER A O 161 C CB . SER A 109 ? 0.6320 0.6598 0.8171 -0.0699 0.0433 0.0878 191 SER A CB 162 O OG . SER A 109 ? 0.7440 0.7757 0.9253 -0.0656 0.0573 0.0986 191 SER A OG 163 N N . PRO A 110 ? 0.6387 0.6146 0.7834 -0.0767 0.0271 0.0730 192 PRO A N 164 C CA . PRO A 110 ? 0.5901 0.5433 0.7112 -0.0758 0.0267 0.0709 192 PRO A CA 165 C C . PRO A 110 ? 0.6648 0.6105 0.7715 -0.0698 0.0389 0.0786 192 PRO A C 166 O O . PRO A 110 ? 0.7433 0.6910 0.8476 -0.0630 0.0449 0.0793 192 PRO A O 167 C CB . PRO A 110 ? 0.5153 0.4573 0.6249 -0.0731 0.0172 0.0587 192 PRO A CB 168 C CG . PRO A 110 ? 0.6228 0.5803 0.7501 -0.0751 0.0101 0.0535 192 PRO A CG 169 C CD . PRO A 110 ? 0.6603 0.6385 0.8082 -0.0754 0.0177 0.0629 192 PRO A CD 170 N N . PRO A 111 ? 0.6156 0.5523 0.7111 -0.0713 0.0433 0.0841 193 PRO A N 171 C CA . PRO A 111 ? 0.6044 0.5322 0.6813 -0.0647 0.0545 0.0903 193 PRO A CA 172 C C . PRO A 111 ? 0.6156 0.5231 0.6688 -0.0598 0.0509 0.0826 193 PRO A C 173 O O . PRO A 111 ? 0.6777 0.5779 0.7286 -0.0621 0.0395 0.0730 193 PRO A O 174 C CB . PRO A 111 ? 0.6098 0.5327 0.6815 -0.0693 0.0563 0.0963 193 PRO A CB 175 C CG . PRO A 111 ? 0.6916 0.6263 0.7849 -0.0776 0.0498 0.0959 193 PRO A CG 176 C CD . PRO A 111 ? 0.6826 0.6181 0.7825 -0.0788 0.0388 0.0850 193 PRO A CD 177 N N . THR A 112 ? 0.5724 0.4714 0.6066 -0.0523 0.0607 0.0859 194 THR A N 178 C CA . THR A 112 ? 0.5627 0.4429 0.5731 -0.0472 0.0575 0.0783 194 THR A CA 179 C C . THR A 112 ? 0.4735 0.3406 0.4620 -0.0453 0.0605 0.0813 194 THR A C 180 O O . THR A 112 ? 0.4908 0.3601 0.4713 -0.0404 0.0724 0.0880 194 THR A O 181 C CB . THR A 112 ? 0.6052 0.4856 0.6092 -0.0382 0.0655 0.0758 194 THR A CB 182 O OG1 . THR A 112 ? 0.6331 0.5267 0.6583 -0.0397 0.0616 0.0729 194 THR A OG1 183 C CG2 . THR A 112 ? 0.5921 0.4535 0.5712 -0.0334 0.0612 0.0666 194 THR A CG2 184 N N . LEU A 113 ? 0.4097 0.2653 0.3896 -0.0484 0.0492 0.0762 195 LEU A N 185 C CA . LEU A 113 ? 0.4387 0.2834 0.4002 -0.0465 0.0505 0.0787 195 LEU A CA 186 C C . LEU A 113 ? 0.4525 0.2845 0.3931 -0.0398 0.0486 0.0700 195 LEU A C 187 O O . LEU A 113 ? 0.5203 0.3508 0.4641 -0.0399 0.0387 0.0611 195 LEU A O 188 C CB . LEU A 113 ? 0.4332 0.2769 0.4029 -0.0538 0.0402 0.0809 195 LEU A CB 189 C CG . LEU A 113 ? 0.4896 0.3230 0.4440 -0.0513 0.0390 0.0819 195 LEU A CG 190 C CD1 . LEU A 113 ? 0.5688 0.3993 0.5066 -0.0479 0.0517 0.0896 195 LEU A CD1 191 C CD2 . LEU A 113 ? 0.3950 0.2307 0.3648 -0.0566 0.0303 0.0847 195 LEU A CD2 192 N N . LEU A 114 ? 0.4995 0.3236 0.4189 -0.0340 0.0580 0.0720 196 LEU A N 193 C CA . LEU A 114 ? 0.5671 0.3778 0.4638 -0.0285 0.0565 0.0635 196 LEU A CA 194 C C . LEU A 114 ? 0.6507 0.4523 0.5338 -0.0298 0.0525 0.0641 196 LEU A C 195 O O . LEU A 114 ? 0.6285 0.4261 0.4984 -0.0275 0.0604 0.0701 196 LEU A O 196 C CB . LEU A 114 ? 0.6632 0.4698 0.5435 -0.0203 0.0692 0.0637 196 LEU A CB 197 C CG . LEU A 114 ? 0.6821 0.4730 0.5366 -0.0149 0.0685 0.0548 196 LEU A CG 198 C CD1 . LEU A 114 ? 0.5728 0.3614 0.4305 -0.0169 0.0566 0.0443 196 LEU A CD1 199 C CD2 . LEU A 114 ? 0.6110 0.3987 0.4523 -0.0063 0.0814 0.0548 196 LEU A CD2 200 N N . PHE A 115 ? 0.6466 0.4466 0.5340 -0.0327 0.0405 0.0578 197 PHE A N 201 C CA . PHE A 115 ? 0.5395 0.3324 0.4168 -0.0340 0.0358 0.0581 197 PHE A CA 202 C C . PHE A 115 ? 0.6264 0.4068 0.4796 -0.0298 0.0340 0.0492 197 PHE A C 203 O O . PHE A 115 ? 0.6837 0.4655 0.5391 -0.0292 0.0273 0.0402 197 PHE A O 204 C CB . PHE A 115 ? 0.4461 0.2469 0.3446 -0.0387 0.0250 0.0567 197 PHE A CB 205 C CG . PHE A 115 ? 0.4164 0.2130 0.3112 -0.0407 0.0226 0.0614 197 PHE A CG 206 C CD1 . PHE A 115 ? 0.4461 0.2309 0.3162 -0.0383 0.0263 0.0632 197 PHE A CD1 207 C CD2 . PHE A 115 ? 0.3600 0.1639 0.2759 -0.0444 0.0173 0.0637 197 PHE A CD2 208 C CE1 . PHE A 115 ? 0.4227 0.2038 0.2892 -0.0399 0.0240 0.0680 197 PHE A CE1 209 C CE2 . PHE A 115 ? 0.4265 0.2260 0.3389 -0.0457 0.0158 0.0683 197 PHE A CE2 210 C CZ . PHE A 115 ? 0.4261 0.2145 0.3140 -0.0437 0.0187 0.0709 197 PHE A CZ 211 N N . SER A 116 ? 0.3598 0.1290 0.1902 -0.0271 0.0397 0.0517 198 SER A N 212 C CA . SER A 116 ? 0.4860 0.2413 0.2913 -0.0237 0.0382 0.0435 198 SER A CA 213 C C . SER A 116 ? 0.5574 0.3054 0.3519 -0.0259 0.0311 0.0429 198 SER A C 214 O O . SER A 116 ? 0.5489 0.2974 0.3437 -0.0274 0.0330 0.0510 198 SER A O 215 C CB . SER A 116 ? 0.4950 0.2410 0.2792 -0.0176 0.0504 0.0447 198 SER A CB 216 O OG . SER A 116 ? 0.4220 0.1524 0.1810 -0.0148 0.0485 0.0366 198 SER A OG 217 N N . LEU A 117 ? 0.5436 0.2858 0.3286 -0.0261 0.0230 0.0337 199 LEU A N 218 C CA . LEU A 117 ? 0.4712 0.2056 0.2435 -0.0278 0.0160 0.0323 199 LEU A CA 219 C C . LEU A 117 ? 0.6096 0.3271 0.3525 -0.0250 0.0167 0.0252 199 LEU A C 220 O O . LEU A 117 ? 0.7259 0.4424 0.4651 -0.0251 0.0109 0.0168 199 LEU A O 221 C CB . LEU A 117 ? 0.4260 0.1710 0.2159 -0.0312 0.0043 0.0281 199 LEU A CB 222 C CG . LEU A 117 ? 0.4881 0.2500 0.3092 -0.0335 0.0031 0.0322 199 LEU A CG 223 C CD1 . LEU A 117 ? 0.3641 0.1371 0.2010 -0.0350 -0.0071 0.0271 199 LEU A CD1 224 C CD2 . LEU A 117 ? 0.3532 0.1156 0.1806 -0.0353 0.0076 0.0429 199 LEU A CD2 225 N N . ASP A 118 ? 0.6702 0.3761 0.3930 -0.0222 0.0238 0.0290 200 ASP A N 226 C CA . ASP A 118 ? 0.6955 0.3837 0.3903 -0.0188 0.0259 0.0223 200 ASP A CA 227 C C . ASP A 118 ? 0.6800 0.3592 0.3633 -0.0220 0.0140 0.0146 200 ASP A C 228 O O . ASP A 118 ? 0.6661 0.3479 0.3530 -0.0253 0.0069 0.0176 200 ASP A O 229 C CB . ASP A 118 ? 0.6898 0.3711 0.3682 -0.0150 0.0348 0.0286 200 ASP A CB 230 C CG . ASP A 118 ? 0.7581 0.4235 0.4129 -0.0100 0.0400 0.0222 200 ASP A CG 231 O OD1 . ASP A 118 ? 0.8155 0.4687 0.4598 -0.0112 0.0332 0.0131 200 ASP A OD1 232 O OD2 . ASP A 118 ? 0.7578 0.4234 0.4060 -0.0048 0.0509 0.0267 200 ASP A OD2 233 N N . GLY A 119 ? 0.6581 0.3269 0.3280 -0.0211 0.0121 0.0052 201 GLY A N 234 C CA . GLY A 119 ? 0.6948 0.3583 0.3565 -0.0239 0.0013 -0.0005 201 GLY A CA 235 C C . GLY A 119 ? 0.6956 0.3817 0.3787 -0.0273 -0.0093 0.0003 201 GLY A C 236 O O . GLY A 119 ? 0.8580 0.5496 0.5457 -0.0291 -0.0180 0.0008 201 GLY A O 237 N N . PHE A 120 ? 0.6331 0.3339 0.3344 -0.0274 -0.0078 0.0017 202 PHE A N 238 C CA . PHE A 120 ? 0.6765 0.3996 0.4039 -0.0291 -0.0165 0.0028 202 PHE A CA 239 C C . PHE A 120 ? 0.6319 0.3663 0.3648 -0.0272 -0.0189 0.0019 202 PHE A C 240 O O . PHE A 120 ? 0.3429 0.0891 0.0920 -0.0252 -0.0147 0.0011 202 PHE A O 241 C CB . PHE A 120 ? 0.6502 0.3894 0.4078 -0.0293 -0.0134 0.0060 202 PHE A CB 242 C CG . PHE A 120 ? 0.4727 0.2307 0.2559 -0.0310 -0.0216 0.0068 202 PHE A CG 243 C CD1 . PHE A 120 ? 0.4385 0.2129 0.2364 -0.0295 -0.0261 0.0041 202 PHE A CD1 244 C CD2 . PHE A 120 ? 0.4408 0.2006 0.2346 -0.0333 -0.0236 0.0111 202 PHE A CD2 245 C CE1 . PHE A 120 ? 0.4664 0.2572 0.2869 -0.0298 -0.0317 0.0045 202 PHE A CE1 246 C CE2 . PHE A 120 ? 0.4703 0.2456 0.2859 -0.0340 -0.0299 0.0112 202 PHE A CE2 247 C CZ . PHE A 120 ? 0.5297 0.3201 0.3577 -0.0320 -0.0337 0.0075 202 PHE A CZ 248 N N . ARG A 121 ? 0.6561 0.3933 0.3913 -0.0271 -0.0244 0.0027 203 ARG A N 249 C CA . ARG A 121 ? 0.6935 0.4426 0.4415 -0.0253 -0.0259 0.0030 203 ARG A CA 250 C C . ARG A 121 ? 0.7331 0.5026 0.5045 -0.0249 -0.0299 0.0029 203 ARG A C 251 O O . ARG A 121 ? 0.7981 0.5743 0.5796 -0.0263 -0.0344 0.0032 203 ARG A O 252 C CB . ARG A 121 ? 0.7312 0.4756 0.4752 -0.0259 -0.0309 0.0040 203 ARG A CB 253 C CG . ARG A 121 ? 0.8394 0.5936 0.5950 -0.0249 -0.0338 0.0040 203 ARG A CG 254 C CD . ARG A 121 ? 0.8287 0.5739 0.5764 -0.0263 -0.0388 0.0048 203 ARG A CD 255 N NE . ARG A 121 ? 0.6776 0.4290 0.4333 -0.0275 -0.0457 0.0060 203 ARG A NE 256 C CZ . ARG A 121 ? 0.6053 0.3512 0.3576 -0.0288 -0.0514 0.0069 203 ARG A CZ 257 N NH1 . ARG A 121 ? 0.4072 0.1402 0.1466 -0.0296 -0.0518 0.0066 203 ARG A NH1 258 N NH2 . ARG A 121 ? 0.7337 0.4858 0.4943 -0.0295 -0.0570 0.0081 203 ARG A NH2 259 N N . ALA A 122 ? 0.6296 0.4057 0.4089 -0.0232 -0.0281 0.0020 204 ALA A N 260 C CA . ALA A 122 ? 0.4659 0.2570 0.2648 -0.0227 -0.0310 0.0013 204 ALA A CA 261 C C . ALA A 122 ? 0.4409 0.2368 0.2454 -0.0233 -0.0397 0.0030 204 ALA A C 262 O O . ALA A 122 ? 0.5103 0.3171 0.3298 -0.0231 -0.0429 0.0029 204 ALA A O 263 C CB . ALA A 122 ? 0.4197 0.2150 0.2233 -0.0207 -0.0273 -0.0001 204 ALA A CB 264 N N . GLU A 123 ? 0.3988 0.1860 0.1919 -0.0239 -0.0432 0.0048 205 GLU A N 265 C CA . GLU A 123 ? 0.2863 0.0785 0.0874 -0.0240 -0.0504 0.0060 205 GLU A CA 266 C C . GLU A 123 ? 0.5081 0.3030 0.3136 -0.0251 -0.0544 0.0069 205 GLU A C 267 O O . GLU A 123 ? 0.5421 0.3443 0.3582 -0.0246 -0.0598 0.0077 205 GLU A O 268 C CB . GLU A 123 ? 0.3506 0.1337 0.1426 -0.0247 -0.0519 0.0063 205 GLU A CB 269 C CG . GLU A 123 ? 0.4833 0.2704 0.2827 -0.0247 -0.0589 0.0075 205 GLU A CG 270 C CD . GLU A 123 ? 0.7041 0.4883 0.5017 -0.0261 -0.0624 0.0085 205 GLU A CD 271 O OE1 . GLU A 123 ? 0.7939 0.5709 0.5819 -0.0272 -0.0596 0.0083 205 GLU A OE1 272 O OE2 . GLU A 123 ? 0.7409 0.5295 0.5464 -0.0259 -0.0678 0.0095 205 GLU A OE2 273 N N . TYR A 124 ? 0.4177 0.2060 0.2145 -0.0266 -0.0514 0.0065 206 TYR A N 274 C CA . TYR A 124 ? 0.5401 0.3283 0.3384 -0.0284 -0.0551 0.0073 206 TYR A CA 275 C C . TYR A 124 ? 0.5973 0.3976 0.4135 -0.0280 -0.0580 0.0073 206 TYR A C 276 O O . TYR A 124 ? 0.6180 0.4214 0.4395 -0.0282 -0.0644 0.0087 206 TYR A O 277 C CB . TYR A 124 ? 0.5824 0.3613 0.3703 -0.0301 -0.0498 0.0063 206 TYR A CB 278 C CG . TYR A 124 ? 0.5735 0.3342 0.3387 -0.0311 -0.0489 0.0065 206 TYR A CG 279 C CD1 . TYR A 124 ? 0.6577 0.4175 0.4225 -0.0309 -0.0530 0.0075 206 TYR A CD1 280 C CD2 . TYR A 124 ? 0.5743 0.3186 0.3202 -0.0321 -0.0428 0.0054 206 TYR A CD2 281 C CE1 . TYR A 124 ? 0.8120 0.5548 0.5578 -0.0318 -0.0521 0.0078 206 TYR A CE1 282 C CE2 . TYR A 124 ? 0.5935 0.3216 0.3205 -0.0323 -0.0410 0.0051 206 TYR A CE2 283 C CZ . TYR A 124 ? 0.7806 0.5080 0.5076 -0.0323 -0.0461 0.0067 206 TYR A CZ 284 O OH . TYR A 124 ? 0.8565 0.5651 0.5644 -0.0327 -0.0447 0.0076 206 TYR A OH 285 N N . LEU A 125 ? 0.5871 0.3948 0.4144 -0.0272 -0.0528 0.0054 207 LEU A N 286 C CA . LEU A 125 ? 0.5591 0.3787 0.4055 -0.0266 -0.0543 0.0050 207 LEU A CA 287 C C . LEU A 125 ? 0.5286 0.3560 0.3823 -0.0242 -0.0595 0.0057 207 LEU A C 288 O O . LEU A 125 ? 0.5436 0.3785 0.4095 -0.0235 -0.0634 0.0062 207 LEU A O 289 C CB . LEU A 125 ? 0.4763 0.3007 0.3325 -0.0265 -0.0473 0.0032 207 LEU A CB 290 C CG . LEU A 125 ? 0.4217 0.2568 0.2973 -0.0265 -0.0482 0.0030 207 LEU A CG 291 C CD1 . LEU A 125 ? 0.2879 0.1212 0.1674 -0.0285 -0.0517 0.0049 207 LEU A CD1 292 C CD2 . LEU A 125 ? 0.5048 0.3430 0.3893 -0.0266 -0.0411 0.0017 207 LEU A CD2 293 N N . HIS A 126 ? 0.4968 0.3218 0.3435 -0.0228 -0.0590 0.0059 208 HIS A N 294 C CA . HIS A 126 ? 0.4714 0.3022 0.3249 -0.0205 -0.0632 0.0068 208 HIS A CA 295 C C . HIS A 126 ? 0.6042 0.4355 0.4605 -0.0204 -0.0691 0.0084 208 HIS A C 296 O O . HIS A 126 ? 0.6463 0.4861 0.5154 -0.0185 -0.0722 0.0086 208 HIS A O 297 C CB . HIS A 126 ? 0.4716 0.2975 0.3168 -0.0198 -0.0610 0.0067 208 HIS A CB 298 C CG . HIS A 126 ? 0.5105 0.3375 0.3556 -0.0196 -0.0538 0.0043 208 HIS A CG 299 N ND1 . HIS A 126 ? 0.4732 0.2948 0.3103 -0.0193 -0.0508 0.0037 208 HIS A ND1 300 C CD2 . HIS A 126 ? 0.5589 0.3912 0.4115 -0.0196 -0.0491 0.0023 208 HIS A CD2 301 C CE1 . HIS A 126 ? 0.4065 0.2301 0.2455 -0.0188 -0.0445 0.0016 208 HIS A CE1 302 N NE2 . HIS A 126 ? 0.4551 0.2854 0.3037 -0.0189 -0.0433 0.0008 208 HIS A NE2 303 N N . THR A 127 ? 0.6639 0.4869 0.5099 -0.0222 -0.0695 0.0090 209 THR A N 304 C CA . THR A 127 ? 0.5875 0.4104 0.4360 -0.0223 -0.0739 0.0100 209 THR A CA 305 C C . THR A 127 ? 0.6783 0.5012 0.5292 -0.0236 -0.0771 0.0108 209 THR A C 306 O O . THR A 127 ? 0.7392 0.5677 0.5999 -0.0225 -0.0810 0.0113 209 THR A O 307 C CB . THR A 127 ? 0.4330 0.2456 0.2686 -0.0238 -0.0733 0.0103 209 THR A CB 308 O OG1 . THR A 127 ? 0.3288 0.1392 0.1610 -0.0231 -0.0711 0.0097 209 THR A OG1 309 C CG2 . THR A 127 ? 0.4712 0.2835 0.3098 -0.0239 -0.0782 0.0115 209 THR A CG2 310 N N . TRP A 128 ? 0.7098 0.5256 0.5510 -0.0260 -0.0754 0.0108 210 TRP A N 311 C CA . TRP A 128 ? 0.7166 0.5291 0.5570 -0.0282 -0.0791 0.0117 210 TRP A CA 312 C C . TRP A 128 ? 0.7580 0.5773 0.6118 -0.0285 -0.0774 0.0110 210 TRP A C 313 O O . TRP A 128 ? 0.8418 0.6580 0.6981 -0.0310 -0.0746 0.0110 210 TRP A O 314 C CB . TRP A 128 ? 0.5823 0.3820 0.4061 -0.0312 -0.0772 0.0118 210 TRP A CB 315 C CG . TRP A 128 ? 0.5194 0.3145 0.3351 -0.0306 -0.0752 0.0114 210 TRP A CG 316 C CD1 . TRP A 128 ? 0.6611 0.4488 0.4647 -0.0309 -0.0698 0.0104 210 TRP A CD1 317 C CD2 . TRP A 128 ? 0.4592 0.2557 0.2779 -0.0297 -0.0787 0.0121 210 TRP A CD2 318 N NE1 . TRP A 128 ? 0.6374 0.4209 0.4359 -0.0305 -0.0705 0.0108 210 TRP A NE1 319 C CE2 . TRP A 128 ? 0.4678 0.2565 0.2755 -0.0299 -0.0760 0.0119 210 TRP A CE2 320 C CE3 . TRP A 128 ? 0.4372 0.2399 0.2666 -0.0288 -0.0839 0.0131 210 TRP A CE3 321 C CZ2 . TRP A 128 ? 0.4272 0.2127 0.2335 -0.0298 -0.0791 0.0130 210 TRP A CZ2 322 C CZ3 . TRP A 128 ? 0.3555 0.1562 0.1840 -0.0283 -0.0861 0.0139 210 TRP A CZ3 323 C CH2 . TRP A 128 ? 0.3926 0.1842 0.2095 -0.0290 -0.0842 0.0140 210 TRP A CH2 324 N N . GLY A 129 ? 0.6084 0.4376 0.4743 -0.0259 -0.0775 0.0104 211 GLY A N 325 C CA . GLY A 129 ? 0.5756 0.4126 0.4570 -0.0259 -0.0750 0.0093 211 GLY A CA 326 C C . GLY A 129 ? 0.4869 0.3250 0.3765 -0.0267 -0.0793 0.0104 211 GLY A C 327 O O . GLY A 129 ? 0.3717 0.2112 0.2706 -0.0284 -0.0764 0.0103 211 GLY A O 328 N N . GLY A 130 ? 0.5322 0.3693 0.4190 -0.0255 -0.0862 0.0119 212 GLY A N 329 C CA . GLY A 130 ? 0.5567 0.3943 0.4511 -0.0260 -0.0907 0.0129 212 GLY A CA 330 C C . GLY A 130 ? 0.5827 0.4112 0.4718 -0.0298 -0.0895 0.0140 212 GLY A C 331 O O . GLY A 130 ? 0.4418 0.2696 0.3385 -0.0309 -0.0913 0.0152 212 GLY A O 332 N N . LEU A 131 ? 0.6346 0.4553 0.5107 -0.0317 -0.0859 0.0141 213 LEU A N 333 C CA . LEU A 131 ? 0.5114 0.3223 0.3821 -0.0349 -0.0835 0.0160 213 LEU A CA 334 C C . LEU A 131 ? 0.5505 0.3602 0.4268 -0.0366 -0.0747 0.0168 213 LEU A C 335 O O . LEU A 131 ? 0.6357 0.4381 0.5112 -0.0386 -0.0710 0.0202 213 LEU A O 336 C CB . LEU A 131 ? 0.3971 0.1984 0.2490 -0.0357 -0.0851 0.0160 213 LEU A CB 337 C CG . LEU A 131 ? 0.4855 0.2865 0.3303 -0.0343 -0.0939 0.0159 213 LEU A CG 338 C CD1 . LEU A 131 ? 0.3026 0.0935 0.1288 -0.0355 -0.0943 0.0156 213 LEU A CD1 339 C CD2 . LEU A 131 ? 0.2916 0.0928 0.1442 -0.0348 -0.0993 0.0174 213 LEU A CD2 340 N N . LEU A 132 ? 0.5163 0.3334 0.3992 -0.0353 -0.0711 0.0147 214 LEU A N 341 C CA . LEU A 132 ? 0.5354 0.3523 0.4249 -0.0367 -0.0628 0.0155 214 LEU A CA 342 C C . LEU A 132 ? 0.6225 0.4491 0.5293 -0.0363 -0.0620 0.0146 214 LEU A C 343 O O . LEU A 132 ? 0.5744 0.4079 0.4851 -0.0347 -0.0602 0.0120 214 LEU A O 344 C CB . LEU A 132 ? 0.4615 0.2764 0.3411 -0.0359 -0.0580 0.0136 214 LEU A CB 345 C CG . LEU A 132 ? 0.3977 0.2026 0.2576 -0.0361 -0.0592 0.0135 214 LEU A CG 346 C CD1 . LEU A 132 ? 0.4366 0.2391 0.2873 -0.0350 -0.0537 0.0114 214 LEU A CD1 347 C CD2 . LEU A 132 ? 0.4164 0.2112 0.2714 -0.0381 -0.0573 0.0177 214 LEU A CD2 348 N N . PRO A 133 ? 0.6286 0.4552 0.5455 -0.0377 -0.0632 0.0168 215 PRO A N 349 C CA . PRO A 133 ? 0.6160 0.4507 0.5483 -0.0373 -0.0635 0.0156 215 PRO A CA 350 C C . PRO A 133 ? 0.5981 0.4354 0.5388 -0.0388 -0.0560 0.0156 215 PRO A C 351 O O . PRO A 133 ? 0.5765 0.4219 0.5261 -0.0376 -0.0561 0.0131 215 PRO A O 352 C CB . PRO A 133 ? 0.5493 0.3799 0.4873 -0.0390 -0.0659 0.0185 215 PRO A CB 353 C CG . PRO A 133 ? 0.5302 0.3503 0.4590 -0.0410 -0.0630 0.0226 215 PRO A CG 354 C CD . PRO A 133 ? 0.5424 0.3604 0.4561 -0.0395 -0.0642 0.0207 215 PRO A CD 355 N N . VAL A 134 ? 0.6324 0.4627 0.5703 -0.0409 -0.0496 0.0191 216 VAL A N 356 C CA . VAL A 134 ? 0.6040 0.4363 0.5507 -0.0423 -0.0420 0.0202 216 VAL A CA 357 C C . VAL A 134 ? 0.7174 0.5542 0.6606 -0.0402 -0.0396 0.0166 216 VAL A C 358 O O . VAL A 134 ? 0.6791 0.5230 0.6322 -0.0400 -0.0376 0.0146 216 VAL A O 359 C CB . VAL A 134 ? 0.5399 0.3638 0.4852 -0.0445 -0.0350 0.0266 216 VAL A CB 360 C CG1 . VAL A 134 ? 0.5746 0.4014 0.5297 -0.0456 -0.0269 0.0286 216 VAL A CG1 361 C CG2 . VAL A 134 ? 0.4501 0.2694 0.4000 -0.0467 -0.0364 0.0309 216 VAL A CG2 362 N N . ILE A 135 ? 0.7950 0.6270 0.7236 -0.0388 -0.0399 0.0160 217 ILE A N 363 C CA . ILE A 135 ? 0.7203 0.5546 0.6435 -0.0367 -0.0375 0.0128 217 ILE A CA 364 C C . ILE A 135 ? 0.6451 0.4892 0.5730 -0.0343 -0.0421 0.0086 217 ILE A C 365 O O . ILE A 135 ? 0.7390 0.5886 0.6716 -0.0330 -0.0390 0.0065 217 ILE A O 366 C CB . ILE A 135 ? 0.4448 0.2706 0.3488 -0.0357 -0.0378 0.0125 217 ILE A CB 367 C CG1 . ILE A 135 ? 0.5102 0.3257 0.4079 -0.0374 -0.0334 0.0177 217 ILE A CG1 368 C CG2 . ILE A 135 ? 0.2901 0.1172 0.1879 -0.0335 -0.0346 0.0093 217 ILE A CG2 369 C CD1 . ILE A 135 ? 0.5225 0.3371 0.4267 -0.0377 -0.0246 0.0216 217 ILE A CD1 370 N N . SER A 136 ? 0.4588 0.3052 0.3861 -0.0334 -0.0493 0.0082 218 SER A N 371 C CA . SER A 136 ? 0.4285 0.2839 0.3608 -0.0305 -0.0537 0.0058 218 SER A CA 372 C C . SER A 136 ? 0.4885 0.3517 0.4362 -0.0305 -0.0522 0.0048 218 SER A C 373 O O . SER A 136 ? 0.4663 0.3367 0.4181 -0.0281 -0.0524 0.0027 218 SER A O 374 C CB . SER A 136 ? 0.3797 0.2351 0.3092 -0.0291 -0.0614 0.0066 218 SER A CB 375 O OG . SER A 136 ? 0.3116 0.1607 0.2265 -0.0287 -0.0635 0.0072 218 SER A OG 376 N N . LYS A 137 ? 0.5419 0.4032 0.4977 -0.0334 -0.0507 0.0066 219 LYS A N 377 C CA . LYS A 137 ? 0.4919 0.3596 0.4614 -0.0340 -0.0496 0.0056 219 LYS A CA 378 C C . LYS A 137 ? 0.4040 0.2741 0.3772 -0.0346 -0.0429 0.0046 219 LYS A C 379 O O . LYS A 137 ? 0.5087 0.3862 0.4895 -0.0334 -0.0429 0.0025 219 LYS A O 380 C CB . LYS A 137 ? 0.4333 0.2973 0.4102 -0.0374 -0.0496 0.0081 219 LYS A CB 381 C CG . LYS A 137 ? 0.4283 0.2984 0.4181 -0.0383 -0.0498 0.0069 219 LYS A CG 382 C CD . LYS A 137 ? 0.4607 0.3261 0.4577 -0.0426 -0.0482 0.0098 219 LYS A CD 383 C CE . LYS A 137 ? 0.3870 0.2581 0.3959 -0.0441 -0.0479 0.0084 219 LYS A CE 384 N NZ . LYS A 137 ? 0.3278 0.1941 0.3437 -0.0491 -0.0458 0.0114 219 LYS A NZ 385 N N . LEU A 138 ? 0.2446 0.1084 0.2125 -0.0361 -0.0371 0.0064 220 LEU A N 386 C CA . LEU A 138 ? 0.2211 0.0862 0.1920 -0.0360 -0.0303 0.0059 220 LEU A CA 387 C C . LEU A 138 ? 0.2765 0.1467 0.2428 -0.0324 -0.0316 0.0023 220 LEU A C 388 O O . LEU A 138 ? 0.4249 0.3001 0.3974 -0.0316 -0.0283 0.0007 220 LEU A O 389 C CB . LEU A 138 ? 0.2106 0.0670 0.1756 -0.0371 -0.0242 0.0097 220 LEU A CB 390 C CG . LEU A 138 ? 0.2545 0.1064 0.2267 -0.0406 -0.0197 0.0153 220 LEU A CG 391 C CD1 . LEU A 138 ? 0.2298 0.0735 0.1941 -0.0403 -0.0142 0.0205 220 LEU A CD1 392 C CD2 . LEU A 138 ? 0.3420 0.1993 0.3287 -0.0427 -0.0152 0.0158 220 LEU A CD2 393 N N . LYS A 139 ? 0.2776 0.1462 0.2329 -0.0303 -0.0363 0.0015 221 LYS A N 394 C CA . LYS A 139 ? 0.2740 0.1469 0.2245 -0.0270 -0.0379 -0.0009 221 LYS A CA 395 C C . LYS A 139 ? 0.3393 0.2217 0.2999 -0.0251 -0.0415 -0.0023 221 LYS A C 396 O O . LYS A 139 ? 0.5030 0.3908 0.4671 -0.0233 -0.0395 -0.0041 221 LYS A O 397 C CB . LYS A 139 ? 0.1918 0.0600 0.1286 -0.0258 -0.0423 -0.0003 221 LYS A CB 398 C CG . LYS A 139 ? 0.3516 0.2242 0.2847 -0.0225 -0.0446 -0.0016 221 LYS A CG 399 C CD . LYS A 139 ? 0.2958 0.1661 0.2214 -0.0214 -0.0510 -0.0001 221 LYS A CD 400 C CE . LYS A 139 ? 0.4904 0.3652 0.4150 -0.0181 -0.0531 -0.0005 221 LYS A CE 401 N NZ . LYS A 139 ? 0.6754 0.5599 0.6134 -0.0160 -0.0543 -0.0014 221 LYS A NZ 402 N N . ASN A 140 ? 0.3334 0.2174 0.2985 -0.0253 -0.0468 -0.0013 222 ASN A N 403 C CA . ASN A 140 ? 0.3970 0.2889 0.3707 -0.0228 -0.0510 -0.0023 222 ASN A CA 404 C C . ASN A 140 ? 0.4769 0.3738 0.4622 -0.0239 -0.0485 -0.0034 222 ASN A C 405 O O . ASN A 140 ? 0.5606 0.4643 0.5522 -0.0213 -0.0508 -0.0046 222 ASN A O 406 C CB . ASN A 140 ? 0.4782 0.3690 0.4529 -0.0222 -0.0573 -0.0008 222 ASN A CB 407 C CG . ASN A 140 ? 0.6336 0.5210 0.5978 -0.0205 -0.0609 0.0003 222 ASN A CG 408 O OD1 . ASN A 140 ? 0.6597 0.5481 0.6180 -0.0185 -0.0602 -0.0002 222 ASN A OD1 409 N ND2 . ASN A 140 ? 0.6652 0.5481 0.6272 -0.0215 -0.0649 0.0020 222 ASN A ND2 410 N N . CYS A 141 ? 0.3598 0.2529 0.3479 -0.0277 -0.0439 -0.0027 223 CYS A N 411 C CA . CYS A 141 ? 0.2151 0.1123 0.2140 -0.0295 -0.0417 -0.0033 223 CYS A CA 412 C C . CYS A 141 ? 0.2195 0.1165 0.2188 -0.0306 -0.0346 -0.0040 223 CYS A C 413 O O . CYS A 141 ? 0.2827 0.1825 0.2901 -0.0328 -0.0321 -0.0041 223 CYS A O 414 C CB . CYS A 141 ? 0.1989 0.0923 0.2035 -0.0336 -0.0421 -0.0013 223 CYS A CB 415 S SG . CYS A 141 ? 0.8391 0.7333 0.8469 -0.0323 -0.0503 -0.0010 223 CYS A SG 416 N N . GLY A 142 ? 0.2825 0.1760 0.2729 -0.0291 -0.0315 -0.0042 224 GLY A N 417 C CA . GLY A 142 ? 0.2872 0.1791 0.2779 -0.0293 -0.0243 -0.0045 224 GLY A CA 418 C C . GLY A 142 ? 0.2824 0.1761 0.2666 -0.0256 -0.0238 -0.0066 224 GLY A C 419 O O . GLY A 142 ? 0.3181 0.2162 0.2998 -0.0230 -0.0289 -0.0078 224 GLY A O 420 N N . THR A 143 ? 0.2770 0.1672 0.2594 -0.0249 -0.0177 -0.0065 225 THR A N 421 C CA . THR A 143 ? 0.2823 0.1728 0.2575 -0.0215 -0.0169 -0.0083 225 THR A CA 422 C C . THR A 143 ? 0.4707 0.3529 0.4309 -0.0209 -0.0173 -0.0073 225 THR A C 423 O O . THR A 143 ? 0.6203 0.4949 0.5761 -0.0217 -0.0136 -0.0052 225 THR A O 424 C CB . THR A 143 ? 0.3153 0.2068 0.2970 -0.0203 -0.0108 -0.0086 225 THR A CB 425 O OG1 . THR A 143 ? 0.3406 0.2388 0.3334 -0.0215 -0.0101 -0.0097 225 THR A OG1 426 C CG2 . THR A 143 ? 0.3354 0.2268 0.3085 -0.0167 -0.0105 -0.0105 225 THR A CG2 427 N N . TYR A 144 ? 0.4032 0.2863 0.3548 -0.0192 -0.0218 -0.0081 226 TYR A N 428 C CA . TYR A 144 ? 0.3521 0.2270 0.2880 -0.0191 -0.0231 -0.0072 226 TYR A CA 429 C C . TYR A 144 ? 0.1766 0.0505 0.1033 -0.0166 -0.0222 -0.0083 226 TYR A C 430 O O . TYR A 144 ? 0.6622 0.5431 0.5952 -0.0149 -0.0228 -0.0094 226 TYR A O 431 C CB . TYR A 144 ? 0.3256 0.2008 0.2595 -0.0200 -0.0298 -0.0059 226 TYR A CB 432 C CG . TYR A 144 ? 0.2870 0.1546 0.2051 -0.0198 -0.0323 -0.0049 226 TYR A CG 433 C CD1 . TYR A 144 ? 0.1998 0.0572 0.1064 -0.0213 -0.0296 -0.0039 226 TYR A CD1 434 C CD2 . TYR A 144 ? 0.2484 0.1185 0.1634 -0.0180 -0.0371 -0.0045 226 TYR A CD2 435 C CE1 . TYR A 144 ? 0.4739 0.3238 0.3652 -0.0213 -0.0321 -0.0030 226 TYR A CE1 436 C CE2 . TYR A 144 ? 0.2594 0.1223 0.1608 -0.0180 -0.0396 -0.0032 226 TYR A CE2 437 C CZ . TYR A 144 ? 0.4563 0.3090 0.3454 -0.0198 -0.0373 -0.0026 226 TYR A CZ 438 O OH . TYR A 144 ? 0.5804 0.4251 0.4553 -0.0200 -0.0400 -0.0013 226 TYR A OH 439 N N . THR A 145 ? 0.2489 0.1132 0.1601 -0.0166 -0.0206 -0.0076 227 THR A N 440 C CA . THR A 145 ? 0.2409 0.1023 0.1417 -0.0148 -0.0199 -0.0080 227 THR A CA 441 C C . THR A 145 ? 0.3443 0.1975 0.2305 -0.0157 -0.0234 -0.0065 227 THR A C 442 O O . THR A 145 ? 0.3894 0.2343 0.2665 -0.0172 -0.0223 -0.0057 227 THR A O 443 C CB . THR A 145 ? 0.2952 0.1512 0.1902 -0.0133 -0.0126 -0.0089 227 THR A CB 444 O OG1 . THR A 145 ? 0.2672 0.1186 0.1506 -0.0120 -0.0119 -0.0089 227 THR A OG1 445 C CG2 . THR A 145 ? 0.3435 0.1900 0.2302 -0.0142 -0.0081 -0.0079 227 THR A CG2 446 N N . LYS A 146 ? 0.3551 0.2106 0.2402 -0.0148 -0.0277 -0.0060 228 LYS A N 447 C CA . LYS A 146 ? 0.3497 0.1981 0.2229 -0.0155 -0.0317 -0.0043 228 LYS A CA 448 C C . LYS A 146 ? 0.4056 0.2410 0.2615 -0.0163 -0.0277 -0.0040 228 LYS A C 449 O O . LYS A 146 ? 0.4562 0.2839 0.3021 -0.0178 -0.0299 -0.0027 228 LYS A O 450 C CB . LYS A 146 ? 0.3960 0.2478 0.2711 -0.0141 -0.0350 -0.0039 228 LYS A CB 451 C CG . LYS A 146 ? 0.6192 0.4803 0.5066 -0.0132 -0.0409 -0.0030 228 LYS A CG 452 C CD . LYS A 146 ? 0.6630 0.5199 0.5455 -0.0141 -0.0467 -0.0008 228 LYS A CD 453 C CE . LYS A 146 ? 0.6726 0.5381 0.5676 -0.0128 -0.0518 0.0000 228 LYS A CE 454 N NZ . LYS A 146 ? 0.7414 0.6033 0.6336 -0.0141 -0.0559 0.0017 228 LYS A NZ 455 N N . ASN A 147 ? 0.4702 0.3028 0.3222 -0.0150 -0.0218 -0.0052 229 ASN A N 456 C CA . ASN A 147 ? 0.5008 0.3204 0.3359 -0.0151 -0.0171 -0.0049 229 ASN A CA 457 C C . ASN A 147 ? 0.5522 0.3701 0.3872 -0.0133 -0.0090 -0.0061 229 ASN A C 458 O O . ASN A 147 ? 0.6953 0.5196 0.5389 -0.0117 -0.0067 -0.0072 229 ASN A O 459 C CB . ASN A 147 ? 0.4572 0.2706 0.2830 -0.0148 -0.0184 -0.0045 229 ASN A CB 460 C CG . ASN A 147 ? 0.6132 0.4272 0.4391 -0.0162 -0.0261 -0.0030 229 ASN A CG 461 O OD1 . ASN A 147 ? 0.7304 0.5534 0.5673 -0.0156 -0.0301 -0.0030 229 ASN A OD1 462 N ND2 . ASN A 147 ? 0.6091 0.4131 0.4226 -0.0177 -0.0282 -0.0015 229 ASN A ND2 463 N N . MSE A 148 ? 0.4939 0.3029 0.3192 -0.0135 -0.0046 -0.0057 230 MSE A N 464 C CA . MSE A 148 ? 0.3786 0.1838 0.2015 -0.0110 0.0040 -0.0062 230 MSE A CA 465 C C . MSE A 148 ? 0.3910 0.1815 0.1938 -0.0097 0.0085 -0.0054 230 MSE A C 466 O O . MSE A 148 ? 0.4212 0.2019 0.2109 -0.0109 0.0076 -0.0044 230 MSE A O 467 C CB . MSE A 148 ? 0.3246 0.1304 0.1536 -0.0113 0.0071 -0.0059 230 MSE A CB 468 C CG . MSE A 148 ? 0.3725 0.1739 0.1999 -0.0081 0.0164 -0.0056 230 MSE A CG 469 SE SE . MSE A 148 ? 0.7243 0.5097 0.5407 -0.0086 0.0239 -0.0025 230 MSE A SE 470 C CE . MSE A 148 ? 0.3139 0.1032 0.1419 -0.0042 0.0335 -0.0012 230 MSE A CE 471 N N . ARG A 149 ? 0.3518 0.1401 0.1520 -0.0072 0.0131 -0.0057 231 ARG A N 472 C CA . ARG A 149 ? 0.4125 0.1861 0.1947 -0.0058 0.0170 -0.0048 231 ARG A CA 473 C C . ARG A 149 ? 0.4633 0.2258 0.2339 -0.0030 0.0260 -0.0036 231 ARG A C 474 O O . ARG A 149 ? 0.4496 0.2123 0.2224 0.0000 0.0330 -0.0031 231 ARG A O 475 C CB . ARG A 149 ? 0.5287 0.3028 0.3120 -0.0043 0.0183 -0.0055 231 ARG A CB 476 C CG . ARG A 149 ? 0.7216 0.5047 0.5144 -0.0066 0.0105 -0.0063 231 ARG A CG 477 C CD . ARG A 149 ? 0.7550 0.5352 0.5453 -0.0056 0.0118 -0.0071 231 ARG A CD 478 N NE . ARG A 149 ? 0.7695 0.5557 0.5682 -0.0026 0.0171 -0.0075 231 ARG A NE 479 C CZ . ARG A 149 ? 0.6974 0.4755 0.4884 0.0006 0.0249 -0.0070 231 ARG A CZ 480 N NH1 . ARG A 149 ? 0.5755 0.3389 0.3502 0.0013 0.0285 -0.0063 231 ARG A NH1 481 N NH2 . ARG A 149 ? 0.6192 0.4036 0.4188 0.0035 0.0292 -0.0071 231 ARG A NH2 482 N N . PRO A 150 ? 0.4976 0.2415 0.2462 -0.0036 0.0272 -0.0018 232 PRO A N 483 C CA . PRO A 150 ? 0.3694 0.0940 0.0987 -0.0004 0.0370 0.0002 232 PRO A CA 484 C C . PRO A 150 ? 0.4526 0.1656 0.1719 0.0035 0.0431 0.0008 232 PRO A C 485 O O . PRO A 150 ? 0.5153 0.2353 0.2417 0.0028 0.0393 -0.0008 232 PRO A O 486 C CB . PRO A 150 ? 0.5176 0.2324 0.2356 -0.0031 0.0327 0.0003 232 PRO A CB 487 C CG . PRO A 150 ? 0.4270 0.1482 0.1497 -0.0067 0.0226 -0.0003 232 PRO A CG 488 C CD . PRO A 150 ? 0.4216 0.1643 0.1674 -0.0070 0.0189 -0.0021 232 PRO A CD 489 N N . MSE A 151 ? 0.5222 0.2197 0.2283 0.0079 0.0522 0.0020 233 MSE A N 490 C CA . MSE A 151 ? 0.5730 0.2574 0.2677 0.0124 0.0586 0.0026 233 MSE A CA 491 C C . MSE A 151 ? 0.7129 0.3804 0.3893 0.0112 0.0557 0.0017 233 MSE A C 492 O O . MSE A 151 ? 0.8689 0.5336 0.5407 0.0072 0.0493 0.0012 233 MSE A O 493 C CB . MSE A 151 ? 0.5531 0.2288 0.2433 0.0197 0.0710 0.0047 233 MSE A CB 494 C CG . MSE A 151 ? 0.4553 0.1460 0.1629 0.0222 0.0753 0.0060 233 MSE A CG 495 SE SE . MSE A 151 ? 1.1951 0.9014 0.9165 0.0200 0.0697 0.0048 233 MSE A SE 496 C CE . MSE A 151 ? 1.3525 1.0430 1.0580 0.0232 0.0723 0.0033 233 MSE A CE 497 N N . TYR A 152 ? 0.6400 0.3007 0.3096 0.0147 0.0597 0.0000 234 TYR A N 498 C CA . TYR A 152 ? 0.5173 0.1658 0.1720 0.0138 0.0570 -0.0029 234 TYR A CA 499 C C . TYR A 152 ? 0.5776 0.2086 0.2142 0.0202 0.0668 -0.0026 234 TYR A C 500 O O . TYR A 152 ? 0.7233 0.3534 0.3608 0.0262 0.0757 -0.0012 234 TYR A O 501 C CB . TYR A 152 ? 0.5690 0.2242 0.2297 0.0124 0.0533 -0.0062 234 TYR A CB 502 C CG . TYR A 152 ? 0.6639 0.3087 0.3112 0.0104 0.0492 -0.0099 234 TYR A CG 503 C CD1 . TYR A 152 ? 0.6707 0.3181 0.3191 0.0047 0.0395 -0.0111 234 TYR A CD1 504 C CD2 . TYR A 152 ? 0.6471 0.2774 0.2784 0.0146 0.0554 -0.0118 234 TYR A CD2 505 C CE1 . TYR A 152 ? 0.6154 0.2504 0.2488 0.0027 0.0360 -0.0143 234 TYR A CE1 506 C CE2 . TYR A 152 ? 0.6512 0.2701 0.2678 0.0126 0.0518 -0.0155 234 TYR A CE2 507 C CZ . TYR A 152 ? 0.6687 0.2894 0.2859 0.0065 0.0421 -0.0167 234 TYR A CZ 508 O OH . TYR A 152 ? 0.7025 0.3109 0.3041 0.0044 0.0384 -0.0204 234 TYR A OH 509 N N . PRO A 153 ? 0.6481 0.2671 0.2691 0.0194 0.0651 -0.0041 235 PRO A N 510 C CA . PRO A 153 ? 0.6642 0.2838 0.2838 0.0129 0.0547 -0.0053 235 PRO A CA 511 C C . PRO A 153 ? 0.6867 0.3106 0.3134 0.0104 0.0525 -0.0022 235 PRO A C 512 O O . PRO A 153 ? 0.7228 0.3460 0.3518 0.0141 0.0600 0.0001 235 PRO A O 513 C CB . PRO A 153 ? 0.7324 0.3364 0.3304 0.0149 0.0565 -0.0076 235 PRO A CB 514 C CG . PRO A 153 ? 0.7656 0.3626 0.3548 0.0217 0.0662 -0.0086 235 PRO A CG 515 C CD . PRO A 153 ? 0.7221 0.3271 0.3248 0.0256 0.0733 -0.0052 235 PRO A CD 516 N N . THR A 154 ? 0.7048 0.3336 0.3355 0.0043 0.0424 -0.0024 236 THR A N 517 C CA . THR A 154 ? 0.7812 0.4155 0.4197 0.0012 0.0389 0.0002 236 THR A CA 518 C C . THR A 154 ? 0.8046 0.4229 0.4275 0.0024 0.0419 0.0003 236 THR A C 519 O O . THR A 154 ? 0.8222 0.4368 0.4396 -0.0015 0.0345 -0.0003 236 THR A O 520 C CB . THR A 154 ? 0.7321 0.3812 0.3833 -0.0050 0.0266 -0.0002 236 THR A CB 521 O OG1 . THR A 154 ? 0.6148 0.2668 0.2670 -0.0058 0.0230 -0.0031 236 THR A OG1 522 C CG2 . THR A 154 ? 0.8895 0.5630 0.5647 -0.0065 0.0238 0.0000 236 THR A CG2 523 N N . LYS A 155 ? 0.7637 0.3768 0.3814 0.0085 0.0529 0.0003 237 LYS A N 524 C CA . LYS A 155 ? 0.6951 0.3029 0.3007 0.0111 0.0577 0.0000 237 LYS A CA 525 C C . LYS A 155 ? 0.7378 0.3552 0.3535 0.0130 0.0644 0.0021 237 LYS A C 526 O O . LYS A 155 ? 0.8660 0.4898 0.4954 0.0142 0.0674 0.0024 237 LYS A O 527 C CB . LYS A 155 ? 0.6389 0.2405 0.2291 0.0175 0.0659 -0.0005 237 LYS A CB 528 C CG . LYS A 155 ? 0.6870 0.2805 0.2654 0.0153 0.0595 -0.0035 237 LYS A CG 529 C CD . LYS A 155 ? 0.7307 0.3197 0.2980 0.0113 0.0520 -0.0044 237 LYS A CD 530 C CE . LYS A 155 ? 0.8399 0.4225 0.3961 0.0095 0.0461 -0.0079 237 LYS A CE 531 N NZ . LYS A 155 ? 0.9884 0.5705 0.5417 0.0036 0.0352 -0.0086 237 LYS A NZ 532 N N . THR A 156 ? 0.6719 0.2939 0.2825 0.0129 0.0663 0.0050 238 THR A N 533 C CA . THR A 156 ? 0.6458 0.2841 0.2700 0.0130 0.0715 0.0106 238 THR A CA 534 C C . THR A 156 ? 0.6842 0.3315 0.3164 0.0198 0.0841 0.0144 238 THR A C 535 O O . THR A 156 ? 0.7239 0.3813 0.3729 0.0195 0.0858 0.0151 238 THR A O 536 C CB . THR A 156 ? 0.7061 0.3499 0.3250 0.0116 0.0718 0.0173 238 THR A CB 537 O OG1 . THR A 156 ? 0.8280 0.4664 0.4428 0.0053 0.0596 0.0146 238 THR A OG1 538 C CG2 . THR A 156 ? 0.6762 0.3389 0.3141 0.0109 0.0771 0.0264 238 THR A CG2 539 N N . PHE A 157 ? 0.7482 0.3928 0.3690 0.0260 0.0927 0.0170 239 PHE A N 540 C CA . PHE A 157 ? 0.7704 0.4245 0.3988 0.0331 0.1051 0.0215 239 PHE A CA 541 C C . PHE A 157 ? 0.7782 0.4311 0.4152 0.0364 0.1074 0.0177 239 PHE A C 542 O O . PHE A 157 ? 0.7414 0.4083 0.3949 0.0389 0.1137 0.0219 239 PHE A O 543 C CB . PHE A 157 ? 0.7644 0.4145 0.3771 0.0393 0.1133 0.0244 239 PHE A CB 544 C CG . PHE A 157 ? 0.8473 0.5122 0.4656 0.0404 0.1206 0.0343 239 PHE A CG 545 C CD1 . PHE A 157 ? 0.9265 0.5950 0.5443 0.0346 0.1151 0.0386 239 PHE A CD1 546 C CD2 . PHE A 157 ? 0.9173 0.5929 0.5425 0.0472 0.1327 0.0403 239 PHE A CD2 547 C CE1 . PHE A 157 ? 0.9738 0.6561 0.5985 0.0349 0.1216 0.0490 239 PHE A CE1 548 C CE2 . PHE A 157 ? 0.9965 0.6864 0.6287 0.0475 0.1393 0.0504 239 PHE A CE2 549 C CZ . PHE A 157 ? 1.0162 0.7093 0.6482 0.0412 0.1337 0.0549 239 PHE A CZ 550 N N . PRO A 158 ? 0.7370 0.3749 0.3647 0.0361 0.1020 0.0115 240 PRO A N 551 C CA . PRO A 158 ? 0.8623 0.5008 0.4998 0.0388 0.1038 0.0100 240 PRO A CA 552 C C . PRO A 158 ? 0.8753 0.5231 0.5312 0.0346 0.0996 0.0096 240 PRO A C 553 O O . PRO A 158 ? 0.8400 0.4979 0.5096 0.0385 0.1056 0.0117 240 PRO A O 554 C CB . PRO A 158 ? 0.8015 0.4262 0.4279 0.0360 0.0961 0.0059 240 PRO A CB 555 C CG . PRO A 158 ? 0.7436 0.3593 0.3514 0.0358 0.0952 0.0049 240 PRO A CG 556 C CD . PRO A 158 ? 0.6447 0.2674 0.2545 0.0333 0.0947 0.0075 240 PRO A CD 557 N N . ASN A 159 ? 0.8239 0.4686 0.4802 0.0270 0.0892 0.0069 241 ASN A N 558 C CA . ASN A 159 ? 0.8336 0.4871 0.5061 0.0224 0.0839 0.0054 241 ASN A CA 559 C C . ASN A 159 ? 0.8621 0.5351 0.5490 0.0228 0.0897 0.0098 241 ASN A C 560 O O . ASN A 159 ? 1.0030 0.6880 0.7060 0.0235 0.0920 0.0107 241 ASN A O 561 C CB . ASN A 159 ? 0.7830 0.4437 0.4594 0.0134 0.0690 0.0027 241 ASN A CB 562 C CG . ASN A 159 ? 0.7855 0.4467 0.4595 0.0109 0.0616 0.0030 241 ASN A CG 563 O OD1 . ASN A 159 ? 0.7126 0.3889 0.3997 0.0090 0.0573 0.0029 241 ASN A OD1 564 N ND2 . ASN A 159 ? 0.8638 0.5072 0.5186 0.0115 0.0611 0.0025 241 ASN A ND2 565 N N . HIS A 160 ? 0.7432 0.4220 0.4277 0.0213 0.0912 0.0156 242 HIS A N 566 C CA . HIS A 160 ? 0.7228 0.4219 0.4265 0.0197 0.0952 0.0252 242 HIS A CA 567 C C . HIS A 160 ? 0.6884 0.3985 0.4027 0.0267 0.1072 0.0302 242 HIS A C 568 O O . HIS A 160 ? 0.5970 0.3244 0.3327 0.0251 0.1093 0.0364 242 HIS A O 569 C CB . HIS A 160 ? 0.7674 0.4683 0.4653 0.0177 0.0957 0.0318 242 HIS A CB 570 C CG . HIS A 160 ? 0.7482 0.4506 0.4510 0.0093 0.0841 0.0323 242 HIS A CG 571 N ND1 . HIS A 160 ? 0.7034 0.3916 0.3893 0.0065 0.0754 0.0262 242 HIS A ND1 572 C CD2 . HIS A 160 ? 0.7451 0.4619 0.4693 0.0033 0.0795 0.0385 242 HIS A CD2 573 C CE1 . HIS A 160 ? 0.6918 0.3865 0.3884 -0.0003 0.0662 0.0286 242 HIS A CE1 574 N NE2 . HIS A 160 ? 0.7086 0.4202 0.4289 -0.0024 0.0683 0.0359 242 HIS A NE2 575 N N . TYR A 161 ? 0.6630 0.3635 0.3637 0.0343 0.1142 0.0279 243 TYR A N 576 C CA . TYR A 161 ? 0.6091 0.3197 0.3191 0.0420 0.1254 0.0324 243 TYR A CA 577 C C . TYR A 161 ? 0.6476 0.3577 0.3660 0.0444 0.1247 0.0278 243 TYR A C 578 O O . TYR A 161 ? 0.6113 0.3355 0.3452 0.0488 0.1315 0.0324 243 TYR A O 579 C CB . TYR A 161 ? 0.6101 0.3120 0.3035 0.0493 0.1329 0.0330 243 TYR A CB 580 C CG . TYR A 161 ? 0.6318 0.3478 0.3360 0.0570 0.1448 0.0399 243 TYR A CG 581 C CD1 . TYR A 161 ? 0.4966 0.2323 0.2166 0.0560 0.1502 0.0496 243 TYR A CD1 582 C CD2 . TYR A 161 ? 0.5106 0.2205 0.2106 0.0648 0.1499 0.0375 243 TYR A CD2 583 C CE1 . TYR A 161 ? 0.7738 0.5234 0.5048 0.0629 0.1607 0.0562 243 TYR A CE1 584 C CE2 . TYR A 161 ? 0.7140 0.4372 0.4244 0.0722 0.1604 0.0439 243 TYR A CE2 585 C CZ . TYR A 161 ? 0.7197 0.4631 0.4456 0.0713 0.1659 0.0531 243 TYR A CZ 586 O OH . TYR A 161 ? 0.6759 0.4335 0.4130 0.0785 0.1759 0.0598 243 TYR A OH 587 N N . SER A 162 ? 0.7500 0.4444 0.4592 0.0414 0.1159 0.0196 244 SER A N 588 C CA . SER A 162 ? 0.7029 0.3960 0.4204 0.0424 0.1137 0.0164 244 SER A CA 589 C C . SER A 162 ? 0.6620 0.3706 0.3983 0.0380 0.1108 0.0168 244 SER A C 590 O O . SER A 162 ? 0.7761 0.4922 0.5251 0.0408 0.1131 0.0173 244 SER A O 591 C CB . SER A 162 ? 0.6594 0.3368 0.3655 0.0378 0.1035 0.0120 244 SER A CB 592 O OG . SER A 162 ? 0.6991 0.3653 0.3907 0.0420 0.1068 0.0126 244 SER A OG 593 N N . ILE A 163 ? 0.5367 0.2516 0.2764 0.0305 0.1046 0.0181 245 ILE A N 594 C CA . ILE A 163 ? 0.4845 0.2168 0.2466 0.0242 0.0991 0.0212 245 ILE A CA 595 C C . ILE A 163 ? 0.5990 0.3502 0.3815 0.0274 0.1080 0.0309 245 ILE A C 596 O O . ILE A 163 ? 0.7522 0.5143 0.5520 0.0272 0.1075 0.0318 245 ILE A O 597 C CB . ILE A 163 ? 0.5054 0.2408 0.2713 0.0155 0.0894 0.0233 245 ILE A CB 598 C CG1 . ILE A 163 ? 0.5469 0.2700 0.2979 0.0113 0.0784 0.0138 245 ILE A CG1 599 C CG2 . ILE A 163 ? 0.4559 0.2098 0.2501 0.0094 0.0837 0.0283 245 ILE A CG2 600 C CD1 . ILE A 163 ? 0.5278 0.2529 0.2812 0.0042 0.0690 0.0158 245 ILE A CD1 601 N N . VAL A 164 ? 0.5817 0.3377 0.3624 0.0303 0.1160 0.0380 246 VAL A N 602 C CA . VAL A 164 ? 0.5577 0.3340 0.3585 0.0324 0.1242 0.0479 246 VAL A CA 603 C C . VAL A 164 ? 0.5799 0.3602 0.3816 0.0428 0.1346 0.0484 246 VAL A C 604 O O . VAL A 164 ? 0.6129 0.4117 0.4322 0.0454 0.1415 0.0563 246 VAL A O 605 C CB . VAL A 164 ? 0.5180 0.3007 0.3194 0.0304 0.1278 0.0562 246 VAL A CB 606 C CG1 . VAL A 164 ? 0.4684 0.2519 0.2766 0.0199 0.1173 0.0580 246 VAL A CG1 607 C CG2 . VAL A 164 ? 0.5768 0.3447 0.3534 0.0363 0.1326 0.0535 246 VAL A CG2 608 N N . THR A 165 ? 0.5938 0.3570 0.3781 0.0483 0.1348 0.0404 247 THR A N 609 C CA . THR A 165 ? 0.6690 0.4341 0.4548 0.0579 0.1426 0.0409 247 THR A CA 610 C C . THR A 165 ? 0.6796 0.4386 0.4675 0.0591 0.1382 0.0349 247 THR A C 611 O O . THR A 165 ? 0.3997 0.1662 0.1968 0.0655 0.1428 0.0371 247 THR A O 612 C CB . THR A 165 ? 0.7105 0.4604 0.4758 0.0640 0.1471 0.0394 247 THR A CB 613 O OG1 . THR A 165 ? 0.6479 0.3758 0.3935 0.0602 0.1390 0.0313 247 THR A OG1 614 C CG2 . THR A 165 ? 0.7778 0.5360 0.5423 0.0646 0.1534 0.0466 247 THR A CG2 615 N N . GLY A 166 ? 0.6966 0.4428 0.4766 0.0527 0.1286 0.0278 248 GLY A N 616 C CA . GLY A 166 ? 0.6832 0.4226 0.4645 0.0522 0.1229 0.0235 248 GLY A CA 617 C C . GLY A 166 ? 0.6528 0.3814 0.4221 0.0558 0.1231 0.0237 248 GLY A C 618 O O . GLY A 166 ? 0.6762 0.4096 0.4503 0.0556 0.1203 0.0239 248 GLY A O 619 N N . LEU A 167 ? 0.6238 0.3415 0.3778 0.0584 0.1264 0.0234 249 LEU A N 620 C CA . LEU A 167 ? 0.5745 0.2824 0.3164 0.0619 0.1276 0.0232 249 LEU A CA 621 C C . LEU A 167 ? 0.6229 0.3149 0.3467 0.0557 0.1195 0.0191 249 LEU A C 622 O O . LEU A 167 ? 0.6782 0.3642 0.3953 0.0507 0.1152 0.0172 249 LEU A O 623 C CB . LEU A 167 ? 0.5333 0.2432 0.2720 0.0708 0.1387 0.0270 249 LEU A CB 624 C CG . LEU A 167 ? 0.5799 0.3089 0.3374 0.0777 0.1469 0.0327 249 LEU A CG 625 C CD1 . LEU A 167 ? 0.6013 0.3342 0.3555 0.0854 0.1574 0.0377 249 LEU A CD1 626 C CD2 . LEU A 167 ? 0.4391 0.1694 0.2019 0.0795 0.1449 0.0326 249 LEU A CD2 627 N N . TYR A 168 ? 0.6388 0.3258 0.3555 0.0558 0.1174 0.0178 250 TYR A N 628 C CA . TYR A 168 ? 0.6794 0.3543 0.3802 0.0511 0.1110 0.0142 250 TYR A CA 629 C C . TYR A 168 ? 0.7426 0.4045 0.4274 0.0556 0.1171 0.0142 250 TYR A C 630 O O . TYR A 168 ? 0.8502 0.5139 0.5357 0.0638 0.1272 0.0171 250 TYR A O 631 C CB . TYR A 168 ? 0.6109 0.2856 0.3101 0.0512 0.1091 0.0125 250 TYR A CB 632 C CG . TYR A 168 ? 0.5358 0.2258 0.2504 0.0459 0.1016 0.0111 250 TYR A CG 633 C CD1 . TYR A 168 ? 0.6198 0.3188 0.3415 0.0381 0.0922 0.0091 250 TYR A CD1 634 C CD2 . TYR A 168 ? 0.5193 0.2161 0.2418 0.0492 0.1040 0.0117 250 TYR A CD2 635 C CE1 . TYR A 168 ? 0.6730 0.3888 0.4105 0.0340 0.0852 0.0070 250 TYR A CE1 636 C CE2 . TYR A 168 ? 0.5336 0.2456 0.2709 0.0448 0.0972 0.0098 250 TYR A CE2 637 C CZ . TYR A 168 ? 0.5602 0.2823 0.3056 0.0374 0.0878 0.0072 250 TYR A CZ 638 O OH . TYR A 168 ? 0.4787 0.2174 0.2404 0.0338 0.0808 0.0048 250 TYR A OH 639 N N . PRO A 169 ? 0.6809 0.3325 0.3524 0.0505 0.1109 0.0112 251 PRO A N 640 C CA . PRO A 169 ? 0.6009 0.2415 0.2559 0.0543 0.1160 0.0107 251 PRO A CA 641 C C . PRO A 169 ? 0.6239 0.2579 0.2691 0.0616 0.1236 0.0111 251 PRO A C 642 O O . PRO A 169 ? 0.7630 0.3940 0.3996 0.0678 0.1318 0.0127 251 PRO A O 643 C CB . PRO A 169 ? 0.6597 0.2912 0.3031 0.0465 0.1056 0.0070 251 PRO A CB 644 C CG . PRO A 169 ? 0.7328 0.3739 0.3900 0.0389 0.0965 0.0070 251 PRO A CG 645 C CD . PRO A 169 ? 0.7235 0.3766 0.3960 0.0409 0.0988 0.0087 251 PRO A CD 646 N N . GLU A 170 ? 0.5552 0.1884 0.2018 0.0608 0.1211 0.0097 252 GLU A N 647 C CA . GLU A 170 ? 0.6117 0.2374 0.2486 0.0675 0.1281 0.0097 252 GLU A CA 648 C C . GLU A 170 ? 0.5744 0.2082 0.2203 0.0768 0.1393 0.0147 252 GLU A C 649 O O . GLU A 170 ? 0.6720 0.3000 0.3095 0.0839 0.1469 0.0157 252 GLU A O 650 C CB . GLU A 170 ? 0.7249 0.3498 0.3632 0.0640 0.1228 0.0070 252 GLU A CB 651 C CG . GLU A 170 ? 0.7567 0.3966 0.4149 0.0634 0.1217 0.0093 252 GLU A CG 652 C CD . GLU A 170 ? 0.8329 0.4733 0.4924 0.0614 0.1183 0.0069 252 GLU A CD 653 O OE1 . GLU A 170 ? 0.8812 0.5107 0.5274 0.0590 0.1154 0.0029 252 GLU A OE1 654 O OE2 . GLU A 170 ? 0.8718 0.5238 0.5458 0.0622 0.1187 0.0087 252 GLU A OE2 655 N N . SER A 171 ? 0.5605 0.2087 0.2241 0.0768 0.1402 0.0179 253 SER A N 656 C CA . SER A 171 ? 0.7207 0.3809 0.3969 0.0852 0.1499 0.0231 253 SER A CA 657 C C . SER A 171 ? 0.7057 0.3761 0.3876 0.0887 0.1565 0.0271 253 SER A C 658 O O . SER A 171 ? 0.8421 0.5215 0.5298 0.0966 0.1661 0.0320 253 SER A O 659 C CB . SER A 171 ? 0.7517 0.4248 0.4468 0.0835 0.1467 0.0245 253 SER A CB 660 O OG . SER A 171 ? 0.7070 0.3872 0.4096 0.0919 0.1549 0.0287 253 SER A OG 661 N N . HIS A 172 ? 0.6138 0.2846 0.2949 0.0825 0.1515 0.0255 254 HIS A N 662 C CA . HIS A 172 ? 0.6836 0.3672 0.3714 0.0843 0.1576 0.0300 254 HIS A CA 663 C C . HIS A 172 ? 0.7107 0.3856 0.3800 0.0861 0.1612 0.0302 254 HIS A C 664 O O . HIS A 172 ? 0.8162 0.5019 0.4890 0.0871 0.1665 0.0351 254 HIS A O 665 C CB . HIS A 172 ? 0.7604 0.4539 0.4611 0.0770 0.1516 0.0298 254 HIS A CB 666 C CG . HIS A 172 ? 0.7675 0.4475 0.4561 0.0686 0.1412 0.0242 254 HIS A CG 667 N ND1 . HIS A 172 ? 0.8052 0.4742 0.4756 0.0673 0.1403 0.0227 254 HIS A ND1 668 C CD2 . HIS A 172 ? 0.7825 0.4595 0.4752 0.0610 0.1311 0.0202 254 HIS A CD2 669 C CE1 . HIS A 172 ? 0.8416 0.5015 0.5058 0.0594 0.1297 0.0181 254 HIS A CE1 670 N NE2 . HIS A 172 ? 0.7616 0.4261 0.4392 0.0554 0.1240 0.0166 254 HIS A NE2 671 N N . GLY A 173 ? 0.7784 0.4349 0.4285 0.0859 0.1583 0.0256 255 GLY A N 672 C CA . GLY A 173 ? 0.8712 0.5183 0.5020 0.0888 0.1625 0.0255 255 GLY A CA 673 C C . GLY A 173 ? 0.8264 0.4648 0.4441 0.0818 0.1550 0.0221 255 GLY A C 674 O O . GLY A 173 ? 0.7538 0.3790 0.3519 0.0826 0.1548 0.0195 255 GLY A O 675 N N . ILE A 174 ? 0.5881 0.2339 0.2161 0.0750 0.1487 0.0221 256 ILE A N 676 C CA . ILE A 174 ? 0.5931 0.2317 0.2094 0.0684 0.1412 0.0195 256 ILE A CA 677 C C . ILE A 174 ? 0.8820 0.5068 0.4914 0.0618 0.1295 0.0129 256 ILE A C 678 O O . ILE A 174 ? 1.0034 0.6312 0.6233 0.0554 0.1214 0.0113 256 ILE A O 679 C CB . ILE A 174 ? 0.8156 0.4685 0.4451 0.0636 0.1395 0.0233 256 ILE A CB 680 C CG1 . ILE A 174 ? 0.8164 0.4876 0.4581 0.0691 0.1509 0.0318 256 ILE A CG1 681 C CG2 . ILE A 174 ? 0.8192 0.4654 0.4353 0.0578 0.1329 0.0220 256 ILE A CG2 682 C CD1 . ILE A 174 ? 0.7684 0.4372 0.3957 0.0748 0.1590 0.0354 256 ILE A CD1 683 N N . ILE A 175 ? 0.7282 0.3393 0.3205 0.0632 0.1287 0.0097 257 ILE A N 684 C CA . ILE A 175 ? 0.6996 0.3008 0.2867 0.0569 0.1183 0.0046 257 ILE A CA 685 C C . ILE A 175 ? 0.8269 0.4238 0.4074 0.0491 0.1080 0.0021 257 ILE A C 686 O O . ILE A 175 ? 0.9196 0.5176 0.5072 0.0420 0.0980 0.0001 257 ILE A O 687 C CB . ILE A 175 ? 0.8102 0.3995 0.3815 0.0608 0.1213 0.0020 257 ILE A CB 688 C CG1 . ILE A 175 ? 0.8878 0.4805 0.4688 0.0651 0.1261 0.0032 257 ILE A CG1 689 C CG2 . ILE A 175 ? 0.9418 0.5214 0.5024 0.0537 0.1106 -0.0031 257 ILE A CG2 690 C CD1 . ILE A 175 ? 0.9493 0.5508 0.5382 0.0740 0.1382 0.0084 257 ILE A CD1 691 N N . ASP A 176 ? 0.8094 0.4034 0.3770 0.0505 0.1105 0.0030 258 ASP A N 692 C CA . ASP A 176 ? 0.8407 0.4307 0.4006 0.0438 0.1012 0.0011 258 ASP A CA 693 C C . ASP A 176 ? 0.9050 0.5008 0.4603 0.0458 0.1063 0.0053 258 ASP A C 694 O O . ASP A 176 ? 0.9792 0.5819 0.5361 0.0525 0.1173 0.0098 258 ASP A O 695 C CB . ASP A 176 ? 0.9089 0.4862 0.4513 0.0420 0.0959 -0.0035 258 ASP A CB 696 C CG . ASP A 176 ? 0.8481 0.4229 0.3875 0.0338 0.0834 -0.0059 258 ASP A CG 697 O OD1 . ASP A 176 ? 0.9333 0.5132 0.4765 0.0310 0.0808 -0.0037 258 ASP A OD1 698 O OD2 . ASP A 176 ? 0.6829 0.2519 0.2168 0.0302 0.0763 -0.0098 258 ASP A OD2 699 N N . ASN A 177 ? 0.9180 0.5128 0.4688 0.0399 0.0982 0.0049 259 ASN A N 700 C CA . ASN A 177 ? 0.8844 0.4850 0.4291 0.0410 0.1020 0.0099 259 ASN A CA 701 C C . ASN A 177 ? 0.8685 0.4628 0.3939 0.0472 0.1093 0.0105 259 ASN A C 702 O O . ASN A 177 ? 0.9696 0.5718 0.4935 0.0519 0.1186 0.0166 259 ASN A O 703 C CB . ASN A 177 ? 0.8708 0.4701 0.4128 0.0334 0.0908 0.0091 259 ASN A CB 704 C CG . ASN A 177 ? 0.9104 0.5186 0.4715 0.0278 0.0852 0.0100 259 ASN A CG 705 O OD1 . ASN A 177 ? 0.9270 0.5444 0.5036 0.0297 0.0907 0.0121 259 ASN A OD1 706 N ND2 . ASN A 177 ? 0.9388 0.5447 0.4992 0.0210 0.0741 0.0085 259 ASN A ND2 707 N N . LYS A 178 ? 0.8230 0.4037 0.3343 0.0467 0.1049 0.0047 260 LYS A N 708 C CA . LYS A 178 ? 0.8686 0.4412 0.3601 0.0526 0.1112 0.0040 260 LYS A CA 709 C C . LYS A 178 ? 0.9020 0.4665 0.3917 0.0562 0.1142 0.0000 260 LYS A C 710 O O . LYS A 178 ? 0.8133 0.3720 0.3055 0.0514 0.1060 -0.0049 260 LYS A O 711 C CB . LYS A 178 ? 0.7372 0.3011 0.2104 0.0485 0.1029 0.0008 260 LYS A CB 712 N N . MSE A 179 ? 0.9951 0.5607 0.4816 0.0646 0.1262 0.0027 261 MSE A N 713 C CA . MSE A 179 ? 0.9949 0.5533 0.4797 0.0689 0.1302 -0.0002 261 MSE A CA 714 C C . MSE A 179 ? 1.0437 0.5982 0.5141 0.0781 0.1421 0.0018 261 MSE A C 715 O O . MSE A 179 ? 1.0821 0.6395 0.5429 0.0808 0.1467 0.0052 261 MSE A O 716 C CB . MSE A 179 ? 0.9005 0.4684 0.4079 0.0696 0.1324 0.0021 261 MSE A CB 717 C CG . MSE A 179 ? 0.8592 0.4431 0.3814 0.0730 0.1402 0.0091 261 MSE A CG 718 SE SE . MSE A 179 ? 1.2135 0.8097 0.7620 0.0763 0.1453 0.0120 261 MSE A SE 719 C CE . MSE A 179 ? 0.7477 0.3663 0.3135 0.0774 0.1522 0.0209 261 MSE A CE 720 N N . TYR A 180 ? 1.1379 0.6863 0.6070 0.0830 0.1471 0.0000 262 TYR A N 721 C CA . TYR A 180 ? 1.1884 0.7321 0.6440 0.0922 0.1585 0.0015 262 TYR A CA 722 C C . TYR A 180 ? 1.0411 0.5851 0.5054 0.0986 0.1660 0.0027 262 TYR A C 723 O O . TYR A 180 ? 0.9479 0.4875 0.4183 0.0954 0.1608 -0.0008 262 TYR A O 724 C CB . TYR A 180 ? 1.3616 0.8889 0.7915 0.0916 0.1552 -0.0045 262 TYR A CB 725 C CG . TYR A 180 ? 1.5092 1.0284 0.9233 0.1010 0.1663 -0.0043 262 TYR A CG 726 C CD1 . TYR A 180 ? 1.6143 1.1371 1.0182 0.1073 0.1753 0.0002 262 TYR A CD1 727 C CD2 . TYR A 180 ? 1.5263 1.0345 0.9354 0.1035 0.1678 -0.0084 262 TYR A CD2 728 C CE1 . TYR A 180 ? 1.6829 1.1982 1.0720 0.1163 0.1856 0.0004 262 TYR A CE1 729 C CE2 . TYR A 180 ? 1.5756 1.0754 0.9695 0.1124 0.1780 -0.0084 262 TYR A CE2 730 C CZ . TYR A 180 ? 1.6371 1.1403 1.0210 0.1190 0.1869 -0.0041 262 TYR A CZ 731 O OH . TYR A 180 ? 1.6383 1.1330 1.0068 0.1281 0.1973 -0.0041 262 TYR A OH 732 N N . ASP A 181 ? 0.9659 0.5164 0.4312 0.1076 0.1783 0.0083 263 ASP A N 733 C CA . ASP A 181 ? 1.0260 0.5775 0.4987 0.1148 0.1865 0.0103 263 ASP A CA 734 C C . ASP A 181 ? 1.1252 0.6631 0.5761 0.1225 0.1943 0.0084 263 ASP A C 735 O O . ASP A 181 ? 1.2116 0.7512 0.6521 0.1280 0.2019 0.0116 263 ASP A O 736 C CB . ASP A 181 ? 1.0735 0.6447 0.5667 0.1198 0.1951 0.0186 263 ASP A CB 737 C CG . ASP A 181 ? 1.1275 0.7023 0.6323 0.1265 0.2020 0.0211 263 ASP A CG 738 O OD1 . ASP A 181 ? 0.8195 0.3892 0.3141 0.1352 0.2115 0.0227 263 ASP A OD1 739 O OD2 . ASP A 181 ? 1.0886 0.6712 0.6123 0.1233 0.1979 0.0217 263 ASP A OD2 740 N N . PRO A 182 ? 1.1051 0.6298 0.5490 0.1228 0.1925 0.0034 264 PRO A N 741 C CA . PRO A 182 ? 1.0886 0.5984 0.5109 0.1298 0.1995 0.0007 264 PRO A CA 742 C C . PRO A 182 ? 1.1319 0.6484 0.5578 0.1413 0.2137 0.0074 264 PRO A C 743 O O . PRO A 182 ? 1.2839 0.7942 0.6924 0.1481 0.2216 0.0080 264 PRO A O 744 C CB . PRO A 182 ? 1.1070 0.6050 0.5276 0.1264 0.1940 -0.0050 264 PRO A CB 745 C CG . PRO A 182 ? 1.1335 0.6414 0.5754 0.1183 0.1848 -0.0047 264 PRO A CG 746 C CD . PRO A 182 ? 1.1039 0.6276 0.5600 0.1159 0.1834 0.0001 264 PRO A CD 747 N N . LYS A 183 ? 1.1431 0.6727 0.5916 0.1436 0.2168 0.0124 265 LYS A N 748 C CA . LYS A 183 ? 1.2554 0.7936 0.7109 0.1544 0.2297 0.0193 265 LYS A CA 749 C C . LYS A 183 ? 1.2872 0.8395 0.7456 0.1584 0.2370 0.0260 265 LYS A C 750 O O . LYS A 183 ? 1.2303 0.7887 0.6898 0.1679 0.2486 0.0318 265 LYS A O 751 C CB . LYS A 183 ? 0.8625 0.4130 0.3430 0.1549 0.2298 0.0231 265 LYS A CB 752 N N . MSE A 184 ? 1.2703 0.8283 0.7302 0.1509 0.2303 0.0257 266 MSE A N 753 C CA . MSE A 184 ? 1.2359 0.8077 0.6981 0.1533 0.2364 0.0324 266 MSE A CA 754 C C . MSE A 184 ? 1.2489 0.8089 0.6854 0.1523 0.2352 0.0290 266 MSE A C 755 O O . MSE A 184 ? 1.2563 0.8241 0.6883 0.1563 0.2426 0.0346 266 MSE A O 756 C CB . MSE A 184 ? 1.2243 0.8140 0.7087 0.1459 0.2306 0.0361 266 MSE A CB 757 C CG . MSE A 184 ? 1.2038 0.8098 0.7153 0.1476 0.2333 0.0411 266 MSE A CG 758 SE SE . MSE A 184 ? 1.6726 1.3011 1.2103 0.1381 0.2266 0.0457 266 MSE A SE 759 C CE . MSE A 184 ? 0.9257 0.5632 0.4536 0.1399 0.2340 0.0528 266 MSE A CE 760 N N . ASN A 185 ? 1.3118 0.8539 0.7318 0.1467 0.2260 0.0203 267 ASN A N 761 C CA . ASN A 185 ? 1.4334 0.9641 0.8290 0.1444 0.2226 0.0162 267 ASN A CA 762 C C . ASN A 185 ? 1.4620 1.0056 0.8626 0.1393 0.2195 0.0205 267 ASN A C 763 O O . ASN A 185 ? 1.5615 1.1063 0.9487 0.1424 0.2245 0.0235 267 ASN A O 764 C CB . ASN A 185 ? 1.4851 1.0064 0.8596 0.1543 0.2336 0.0166 267 ASN A CB 765 C CG . ASN A 185 ? 1.5502 1.0563 0.8967 0.1519 0.2291 0.0104 267 ASN A CG 766 O OD1 . ASN A 185 ? 1.4006 0.8981 0.7414 0.1432 0.2171 0.0037 267 ASN A OD1 767 N ND2 . ASN A 185 ? 1.7970 1.3004 1.1262 0.1597 0.2387 0.0128 267 ASN A ND2 768 N N . ALA A 186 ? 1.3414 0.8947 0.7613 0.1316 0.2113 0.0212 268 ALA A N 769 C CA . ALA A 186 ? 1.2944 0.8604 0.7214 0.1261 0.2078 0.0257 268 ALA A CA 770 C C . ALA A 186 ? 1.1661 0.7308 0.6013 0.1154 0.1939 0.0211 268 ALA A C 771 O O . ALA A 186 ? 1.2462 0.8092 0.6935 0.1127 0.1891 0.0179 268 ALA A O 772 C CB . ALA A 186 ? 1.2663 0.8539 0.7153 0.1298 0.2168 0.0356 268 ALA A CB 773 N N . SER A 187 ? 1.0303 0.5964 0.4589 0.1094 0.1874 0.0214 269 SER A N 774 C CA . SER A 187 ? 0.9970 0.5621 0.4324 0.0994 0.1740 0.0175 269 SER A CA 775 C C . SER A 187 ? 1.0698 0.6533 0.5282 0.0958 0.1736 0.0242 269 SER A C 776 O O . SER A 187 ? 1.1495 0.7470 0.6164 0.1001 0.1830 0.0323 269 SER A O 777 C CB . SER A 187 ? 1.0067 0.5619 0.4213 0.0947 0.1659 0.0135 269 SER A CB 778 O OG . SER A 187 ? 1.0380 0.5762 0.4318 0.0970 0.1653 0.0067 269 SER A OG 779 N N . PHE A 188 ? 0.9827 0.5668 0.4517 0.0875 0.1626 0.0210 270 PHE A N 780 C CA . PHE A 188 ? 0.9107 0.5110 0.4012 0.0832 0.1610 0.0265 270 PHE A CA 781 C C . PHE A 188 ? 0.9396 0.5381 0.4264 0.0745 0.1494 0.0249 270 PHE A C 782 O O . PHE A 188 ? 0.9309 0.5164 0.4074 0.0700 0.1396 0.0177 270 PHE A O 783 C CB . PHE A 188 ? 0.9223 0.5272 0.4334 0.0824 0.1598 0.0250 270 PHE A CB 784 C CG . PHE A 188 ? 0.9184 0.5407 0.4523 0.0783 0.1589 0.0305 270 PHE A CG 785 C CD1 . PHE A 188 ? 0.9172 0.5565 0.4670 0.0830 0.1692 0.0385 270 PHE A CD1 786 C CD2 . PHE A 188 ? 0.9900 0.6124 0.5303 0.0696 0.1477 0.0280 270 PHE A CD2 787 C CE1 . PHE A 188 ? 0.9634 0.6196 0.5350 0.0785 0.1682 0.0440 270 PHE A CE1 788 C CE2 . PHE A 188 ? 0.9981 0.6362 0.5590 0.0656 0.1468 0.0331 270 PHE A CE2 789 C CZ . PHE A 188 ? 0.9871 0.6422 0.5638 0.0698 0.1570 0.0411 270 PHE A CZ 790 N N . SER A 189 ? 0.9121 0.5244 0.4083 0.0719 0.1504 0.0323 271 SER A N 791 C CA . SER A 189 ? 0.9249 0.5373 0.4194 0.0639 0.1399 0.0323 271 SER A CA 792 C C . SER A 189 ? 0.9225 0.5530 0.4373 0.0605 0.1413 0.0411 271 SER A C 793 O O . SER A 189 ? 0.9322 0.5759 0.4584 0.0646 0.1515 0.0485 271 SER A O 794 C CB . SER A 189 ? 1.0540 0.6590 0.5253 0.0647 0.1388 0.0326 271 SER A CB 795 O OG . SER A 189 ? 1.2011 0.7893 0.6538 0.0664 0.1358 0.0242 271 SER A OG 796 N N . LEU A 190 ? 0.8790 0.5105 0.3992 0.0526 0.1307 0.0406 272 LEU A N 797 C CA . LEU A 190 ? 0.9242 0.5720 0.4640 0.0482 0.1305 0.0489 272 LEU A CA 798 C C . LEU A 190 ? 1.1041 0.7610 0.6398 0.0496 0.1369 0.0591 272 LEU A C 799 O O . LEU A 190 ? 1.1418 0.8145 0.6943 0.0496 0.1436 0.0684 272 LEU A O 800 C CB . LEU A 190 ? 1.0193 0.6644 0.5645 0.0396 0.1171 0.0457 272 LEU A CB 801 C CG . LEU A 190 ? 1.0820 0.7175 0.6306 0.0371 0.1093 0.0357 272 LEU A CG 802 C CD1 . LEU A 190 ? 1.0742 0.7115 0.6330 0.0288 0.0974 0.0345 272 LEU A CD1 803 C CD2 . LEU A 190 ? 1.0304 0.6716 0.5935 0.0412 0.1168 0.0351 272 LEU A CD2 804 N N . LYS A 191 ? 1.1859 0.8330 0.6996 0.0504 0.1344 0.0577 273 LYS A N 805 C CA . LYS A 191 ? 1.1075 0.7613 0.6137 0.0525 0.1407 0.0670 273 LYS A CA 806 C C . LYS A 191 ? 1.2206 0.8703 0.7122 0.0614 0.1519 0.0665 273 LYS A C 807 O O . LYS A 191 ? 1.3037 0.9427 0.7724 0.0640 0.1513 0.0635 273 LYS A O 808 C CB . LYS A 191 ? 0.9265 0.5733 0.4172 0.0483 0.1312 0.0665 273 LYS A CB 809 N N . SER A 192 ? 1.1763 0.8349 0.6813 0.0661 0.1620 0.0695 274 SER A N 810 C CA . SER A 192 ? 1.1109 0.7657 0.6039 0.0752 0.1730 0.0690 274 SER A CA 811 C C . SER A 192 ? 1.1123 0.7839 0.6250 0.0795 0.1848 0.0773 274 SER A C 812 O O . SER A 192 ? 1.0712 0.7553 0.6075 0.0755 0.1838 0.0808 274 SER A O 813 C CB . SER A 192 ? 1.0927 0.7306 0.5744 0.0782 0.1700 0.0572 274 SER A CB 814 O OG . SER A 192 ? 1.1436 0.7775 0.6147 0.0872 0.1806 0.0569 274 SER A OG 815 N N . LYS A 193 ? 1.1660 0.8382 0.6689 0.0875 0.1960 0.0804 275 LYS A N 816 C CA . LYS A 193 ? 1.0937 0.7821 0.6144 0.0922 0.2078 0.0886 275 LYS A CA 817 C C . LYS A 193 ? 1.0667 0.7537 0.5979 0.0965 0.2101 0.0831 275 LYS A C 818 O O . LYS A 193 ? 1.0994 0.8021 0.6521 0.0983 0.2168 0.0892 275 LYS A O 819 C CB . LYS A 193 ? 1.0048 0.6939 0.5109 0.0999 0.2191 0.0940 275 LYS A CB 820 N N . GLU A 194 ? 1.0340 0.7028 0.5508 0.0977 0.2045 0.0721 276 GLU A N 821 C CA . GLU A 194 ? 1.0080 0.6738 0.5335 0.1015 0.2059 0.0669 276 GLU A CA 822 C C . GLU A 194 ? 1.0403 0.7152 0.5894 0.0950 0.1992 0.0665 276 GLU A C 823 O O . GLU A 194 ? 1.0626 0.7410 0.6251 0.0979 0.2016 0.0650 276 GLU A O 824 C CB . GLU A 194 ? 0.9896 0.6327 0.4933 0.1037 0.2012 0.0558 276 GLU A CB 825 C CG . GLU A 194 ? 1.1293 0.7636 0.6139 0.1130 0.2107 0.0554 276 GLU A CG 826 C CD . GLU A 194 ? 1.3246 0.9653 0.8211 0.1212 0.2210 0.0581 276 GLU A CD 827 O OE1 . GLU A 194 ? 1.2735 0.9238 0.7919 0.1195 0.2197 0.0590 276 GLU A OE1 828 O OE2 . GLU A 194 ? 1.4989 1.1353 0.9827 0.1295 0.2304 0.0594 276 GLU A OE2 829 N N . LYS A 195 ? 0.9929 0.6713 0.5466 0.0863 0.1906 0.0679 277 LYS A N 830 C CA . LYS A 195 ? 0.9387 0.6258 0.5142 0.0796 0.1838 0.0678 277 LYS A CA 831 C C . LYS A 195 ? 0.9723 0.6806 0.5733 0.0812 0.1919 0.0766 277 LYS A C 832 O O . LYS A 195 ? 1.1081 0.8225 0.7265 0.0800 0.1902 0.0750 277 LYS A O 833 C CB . LYS A 195 ? 0.8746 0.5626 0.4502 0.0704 0.1741 0.0695 277 LYS A CB 834 C CG . LYS A 195 ? 0.7806 0.4798 0.3801 0.0632 0.1679 0.0713 277 LYS A CG 835 C CD . LYS A 195 ? 0.7576 0.4637 0.3624 0.0552 0.1621 0.0779 277 LYS A CD 836 C CE . LYS A 195 ? 0.6727 0.3927 0.3041 0.0486 0.1581 0.0817 277 LYS A CE 837 N NZ . LYS A 195 ? 0.6991 0.4263 0.3380 0.0408 0.1528 0.0895 277 LYS A NZ 838 N N . PHE A 196 ? 0.9233 0.6435 0.5269 0.0838 0.2008 0.0862 278 PHE A N 839 C CA . PHE A 196 ? 0.9072 0.6492 0.5361 0.0843 0.2083 0.0959 278 PHE A CA 840 C C . PHE A 196 ? 0.9518 0.6970 0.5840 0.0942 0.2185 0.0959 278 PHE A C 841 O O . PHE A 196 ? 0.9956 0.7590 0.6464 0.0965 0.2265 0.1045 278 PHE A O 842 C CB . PHE A 196 ? 0.6904 0.4446 0.3227 0.0817 0.2129 0.1071 278 PHE A CB 843 C CG . PHE A 196 ? 0.7902 0.5436 0.4229 0.0718 0.2031 0.1090 278 PHE A CG 844 C CD1 . PHE A 196 ? 0.7876 0.5252 0.3964 0.0705 0.1972 0.1045 278 PHE A CD1 845 C CD2 . PHE A 196 ? 0.7947 0.5629 0.4520 0.0637 0.1993 0.1154 278 PHE A CD2 846 C CE1 . PHE A 196 ? 0.7583 0.4953 0.3679 0.0619 0.1879 0.1068 278 PHE A CE1 847 C CE2 . PHE A 196 ? 0.8253 0.5920 0.4834 0.0548 0.1900 0.1175 278 PHE A CE2 848 C CZ . PHE A 196 ? 0.7857 0.5368 0.4200 0.0542 0.1844 0.1133 278 PHE A CZ 849 N N . ASN A 197 ? 0.8425 0.5698 0.4570 0.0999 0.2179 0.0868 279 ASN A N 850 C CA . ASN A 197 ? 0.7549 0.4825 0.3710 0.1095 0.2266 0.0862 279 ASN A CA 851 C C . ASN A 197 ? 0.8500 0.5825 0.4848 0.1090 0.2235 0.0832 279 ASN A C 852 O O . ASN A 197 ? 0.9456 0.6651 0.5752 0.1056 0.2146 0.0745 279 ASN A O 853 C CB . ASN A 197 ? 0.7364 0.4416 0.3245 0.1157 0.2277 0.0786 279 ASN A CB 854 C CG . ASN A 197 ? 0.8553 0.5597 0.4434 0.1261 0.2373 0.0789 279 ASN A CG 855 O OD1 . ASN A 197 ? 0.8059 0.5281 0.4128 0.1300 0.2452 0.0866 279 ASN A OD1 856 N ND2 . ASN A 197 ? 0.9828 0.6665 0.5498 0.1304 0.2364 0.0709 279 ASN A ND2 857 N N . PRO A 198 ? 0.7966 0.5485 0.4536 0.1124 0.2307 0.0906 280 PRO A N 858 C CA . PRO A 198 ? 0.7217 0.4823 0.3992 0.1121 0.2285 0.0894 280 PRO A CA 859 C C . PRO A 198 ? 0.8082 0.5531 0.4756 0.1186 0.2281 0.0814 280 PRO A C 860 O O . PRO A 198 ? 0.8900 0.6389 0.5715 0.1181 0.2249 0.0792 280 PRO A O 861 C CB . PRO A 198 ? 0.7327 0.5173 0.4323 0.1158 0.2381 0.1004 280 PRO A CB 862 C CG . PRO A 198 ? 0.7757 0.5672 0.4722 0.1132 0.2421 0.1080 280 PRO A CG 863 C CD . PRO A 198 ? 0.6826 0.4518 0.3485 0.1151 0.2407 0.1017 280 PRO A CD 864 N N . LEU A 199 ? 0.9117 0.6388 0.5552 0.1243 0.2313 0.0774 281 LEU A N 865 C CA . LEU A 199 ? 0.9522 0.6631 0.5852 0.1299 0.2310 0.0705 281 LEU A CA 866 C C . LEU A 199 ? 0.9221 0.6157 0.5461 0.1232 0.2189 0.0606 281 LEU A C 867 O O . LEU A 199 ? 0.6853 0.3667 0.3043 0.1257 0.2168 0.0551 281 LEU A O 868 C CB . LEU A 199 ? 1.0265 0.7244 0.6371 0.1382 0.2388 0.0700 281 LEU A CB 869 C CG . LEU A 199 ? 1.0508 0.7541 0.6667 0.1489 0.2496 0.0745 281 LEU A CG 870 C CD1 . LEU A 199 ? 0.9223 0.6530 0.5649 0.1503 0.2560 0.0850 281 LEU A CD1 871 C CD2 . LEU A 199 ? 1.0913 0.7818 0.6837 0.1565 0.2575 0.0744 281 LEU A CD2 872 N N . TRP A 200 ? 0.8803 0.5735 0.5028 0.1144 0.2109 0.0589 282 TRP A N 873 C CA . TRP A 200 ? 0.8579 0.5360 0.4729 0.1073 0.1990 0.0501 282 TRP A CA 874 C C . TRP A 200 ? 0.7902 0.4782 0.4269 0.1028 0.1934 0.0495 282 TRP A C 875 O O . TRP A 200 ? 0.7540 0.4313 0.3893 0.1010 0.1870 0.0431 282 TRP A O 876 C CB . TRP A 200 ? 0.8211 0.4937 0.4240 0.1001 0.1923 0.0486 282 TRP A CB 877 C CG . TRP A 200 ? 0.8493 0.5087 0.4274 0.1034 0.1952 0.0472 282 TRP A CG 878 C CD1 . TRP A 200 ? 0.8242 0.4906 0.3967 0.1067 0.2030 0.0539 282 TRP A CD1 879 C CD2 . TRP A 200 ? 0.8078 0.4450 0.3632 0.1032 0.1900 0.0389 282 TRP A CD2 880 N NE1 . TRP A 200 ? 0.8741 0.5237 0.4209 0.1091 0.2032 0.0498 282 TRP A NE1 881 C CE2 . TRP A 200 ? 0.8366 0.4683 0.3727 0.1069 0.1951 0.0405 282 TRP A CE2 882 C CE3 . TRP A 200 ? 0.7837 0.4062 0.3340 0.0999 0.1815 0.0307 282 TRP A CE3 883 C CZ2 . TRP A 200 ? 0.9131 0.5250 0.4247 0.1074 0.1918 0.0337 282 TRP A CZ2 884 C CZ3 . TRP A 200 ? 0.8422 0.4457 0.3694 0.0999 0.1781 0.0246 282 TRP A CZ3 885 C CH2 . TRP A 200 ? 0.9143 0.5125 0.4221 0.1037 0.1832 0.0258 282 TRP A CH2 886 N N . TYR A 201 ? 0.7071 0.4161 0.3643 0.1005 0.1958 0.0567 283 TYR A N 887 C CA . TYR A 201 ? 0.6293 0.3496 0.3075 0.0954 0.1903 0.0566 283 TYR A CA 888 C C . TYR A 201 ? 0.7702 0.4992 0.4635 0.1016 0.1951 0.0584 283 TYR A C 889 O O . TYR A 201 ? 0.8584 0.6036 0.5644 0.1069 0.2039 0.0660 283 TYR A O 890 C CB . TYR A 201 ? 0.6591 0.3985 0.3536 0.0893 0.1903 0.0642 283 TYR A CB 891 C CG . TYR A 201 ? 0.7655 0.4969 0.4456 0.0830 0.1852 0.0636 283 TYR A CG 892 C CD1 . TYR A 201 ? 0.6628 0.3887 0.3426 0.0742 0.1742 0.0591 283 TYR A CD1 893 C CD2 . TYR A 201 ? 0.8117 0.5411 0.4782 0.0862 0.1912 0.0675 283 TYR A CD2 894 C CE1 . TYR A 201 ? 0.7236 0.4426 0.3906 0.0688 0.1690 0.0589 283 TYR A CE1 895 C CE2 . TYR A 201 ? 0.8188 0.5412 0.4720 0.0808 0.1863 0.0673 283 TYR A CE2 896 C CZ . TYR A 201 ? 0.8796 0.5971 0.5334 0.0721 0.1750 0.0632 283 TYR A CZ 897 O OH . TYR A 201 ? 0.9665 0.6775 0.6074 0.0670 0.1697 0.0636 283 TYR A OH 898 N N . LYS A 202 ? 0.7823 0.5009 0.4746 0.1007 0.1889 0.0517 284 LYS A N 899 C CA . LYS A 202 ? 0.7404 0.4667 0.4470 0.1058 0.1918 0.0533 284 LYS A CA 900 C C . LYS A 202 ? 0.7000 0.4405 0.4281 0.1001 0.1863 0.0539 284 LYS A C 901 O O . LYS A 202 ? 0.7017 0.4462 0.4337 0.0924 0.1808 0.0535 284 LYS A O 902 C CB . LYS A 202 ? 0.8567 0.5629 0.5486 0.1085 0.1890 0.0468 284 LYS A CB 903 C CG . LYS A 202 ? 1.0294 0.7217 0.7005 0.1148 0.1951 0.0463 284 LYS A CG 904 C CD . LYS A 202 ? 1.1316 0.8371 0.8104 0.1242 0.2071 0.0541 284 LYS A CD 905 C CE . LYS A 202 ? 1.1503 0.8406 0.8072 0.1309 0.2135 0.0532 284 LYS A CE 906 N NZ . LYS A 202 ? 1.1819 0.8526 0.8252 0.1319 0.2099 0.0470 284 LYS A NZ 907 N N . GLY A 203 ? 0.6732 0.4215 0.4149 0.1040 0.1875 0.0550 285 GLY A N 908 C CA . GLY A 203 ? 0.7051 0.4673 0.4672 0.0994 0.1826 0.0556 285 GLY A CA 909 C C . GLY A 203 ? 0.7285 0.5154 0.5112 0.0973 0.1865 0.0639 285 GLY A C 910 O O . GLY A 203 ? 0.7955 0.5918 0.5805 0.1015 0.1946 0.0706 285 GLY A O 911 N N . GLN A 204 ? 0.6688 0.4663 0.4671 0.0903 0.1806 0.0639 286 GLN A N 912 C CA . GLN A 204 ? 0.7043 0.5259 0.5245 0.0862 0.1828 0.0724 286 GLN A CA 913 C C . GLN A 204 ? 0.7073 0.5297 0.5328 0.0752 0.1740 0.0705 286 GLN A C 914 O O . GLN A 204 ? 0.7278 0.5518 0.5619 0.0721 0.1681 0.0669 286 GLN A O 915 C CB . GLN A 204 ? 0.6463 0.4883 0.4892 0.0908 0.1865 0.0776 286 GLN A CB 916 C CG . GLN A 204 ? 0.6434 0.5115 0.5122 0.0853 0.1874 0.0864 286 GLN A CG 917 C CD . GLN A 204 ? 0.7561 0.6449 0.6467 0.0904 0.1908 0.0917 286 GLN A CD 918 O OE1 . GLN A 204 ? 0.8214 0.7111 0.7093 0.0996 0.1974 0.0939 286 GLN A OE1 919 N NE2 . GLN A 204 ? 0.7484 0.6540 0.6608 0.0844 0.1861 0.0939 286 GLN A NE2 920 N N . PRO A 205 ? 0.5492 0.3704 0.3694 0.0693 0.1729 0.0733 287 PRO A N 921 C CA . PRO A 205 ? 0.5093 0.3308 0.3348 0.0583 0.1639 0.0727 287 PRO A CA 922 C C . PRO A 205 ? 0.6901 0.5348 0.5447 0.0530 0.1628 0.0799 287 PRO A C 923 O O . PRO A 205 ? 0.7563 0.6190 0.6269 0.0573 0.1699 0.0867 287 PRO A O 924 C CB . PRO A 205 ? 0.5064 0.3226 0.3202 0.0548 0.1642 0.0760 287 PRO A CB 925 C CG . PRO A 205 ? 0.5645 0.3871 0.3763 0.0630 0.1752 0.0817 287 PRO A CG 926 C CD . PRO A 205 ? 0.5546 0.3720 0.3619 0.0726 0.1793 0.0771 287 PRO A CD 927 N N . ILE A 206 ? 0.7764 0.6201 0.6379 0.0434 0.1534 0.0784 288 ILE A N 928 C CA . ILE A 206 ? 0.7229 0.5861 0.6122 0.0372 0.1504 0.0838 288 ILE A CA 929 C C . ILE A 206 ? 0.7269 0.6101 0.6349 0.0340 0.1551 0.0950 288 ILE A C 930 O O . ILE A 206 ? 0.7392 0.6431 0.6713 0.0334 0.1572 0.1006 288 ILE A O 931 C CB . ILE A 206 ? 0.5068 0.3618 0.3986 0.0270 0.1378 0.0793 288 ILE A CB 932 C CG1 . ILE A 206 ? 0.6534 0.5273 0.5745 0.0208 0.1341 0.0840 288 ILE A CG1 933 C CG2 . ILE A 206 ? 0.4393 0.2845 0.3213 0.0200 0.1323 0.0803 288 ILE A CG2 934 C CD1 . ILE A 206 ? 0.7049 0.5819 0.6323 0.0250 0.1336 0.0795 288 ILE A CD1 935 N N . TRP A 207 ? 0.7001 0.5778 0.5977 0.0319 0.1566 0.0983 289 TRP A N 936 C CA . TRP A 207 ? 0.6966 0.5919 0.6110 0.0284 0.1610 0.1090 289 TRP A CA 937 C C . TRP A 207 ? 0.7224 0.6324 0.6435 0.0377 0.1724 0.1142 289 TRP A C 938 O O . TRP A 207 ? 0.8215 0.7522 0.7646 0.0353 0.1757 0.1229 289 TRP A O 939 C CB . TRP A 207 ? 0.7088 0.5940 0.6094 0.0240 0.1597 0.1115 289 TRP A CB 940 C CG . TRP A 207 ? 0.7729 0.6405 0.6445 0.0318 0.1641 0.1068 289 TRP A CG 941 C CD1 . TRP A 207 ? 0.8078 0.6777 0.6713 0.0409 0.1747 0.1095 289 TRP A CD1 942 C CD2 . TRP A 207 ? 0.7929 0.6379 0.6403 0.0309 0.1576 0.0985 289 TRP A CD2 943 N NE1 . TRP A 207 ? 0.8565 0.7060 0.6921 0.0456 0.1751 0.1031 289 TRP A NE1 944 C CE2 . TRP A 207 ? 0.8071 0.6415 0.6325 0.0395 0.1646 0.0963 289 TRP A CE2 945 C CE3 . TRP A 207 ? 0.7517 0.5846 0.5945 0.0237 0.1459 0.0925 289 TRP A CE3 946 C CZ2 . TRP A 207 ? 0.7701 0.5827 0.5695 0.0406 0.1604 0.0883 289 TRP A CZ2 947 C CZ3 . TRP A 207 ? 0.6559 0.4681 0.4731 0.0251 0.1418 0.0848 289 TRP A CZ3 948 C CH2 . TRP A 207 ? 0.7242 0.5265 0.5200 0.0333 0.1490 0.0827 289 TRP A CH2 949 N N . VAL A 208 ? 0.6434 0.5423 0.5462 0.0482 0.1776 0.1088 290 VAL A N 950 C CA . VAL A 208 ? 0.7446 0.6552 0.6528 0.0583 0.1874 0.1127 290 VAL A CA 951 C C . VAL A 208 ? 0.7087 0.6355 0.6387 0.0597 0.1862 0.1132 290 VAL A C 952 O O . VAL A 208 ? 0.6832 0.6309 0.6325 0.0624 0.1914 0.1205 290 VAL A O 953 C CB . VAL A 208 ? 0.7535 0.6447 0.6353 0.0687 0.1921 0.1061 290 VAL A CB 954 C CG1 . VAL A 208 ? 0.5733 0.4752 0.4618 0.0793 0.2009 0.1097 290 VAL A CG1 955 C CG2 . VAL A 208 ? 0.7938 0.6720 0.6553 0.0681 0.1942 0.1067 290 VAL A CG2 956 N N . THR A 209 ? 0.6915 0.6089 0.6183 0.0578 0.1790 0.1055 291 THR A N 957 C CA . THR A 209 ? 0.7768 0.7084 0.7230 0.0586 0.1767 0.1052 291 THR A CA 958 C C . THR A 209 ? 0.7912 0.7465 0.7670 0.0495 0.1736 0.1130 291 THR A C 959 O O . THR A 209 ? 0.8354 0.8119 0.8323 0.0520 0.1758 0.1177 291 THR A O 960 C CB . THR A 209 ? 0.7650 0.6803 0.7010 0.0568 0.1689 0.0954 291 THR A CB 961 O OG1 . THR A 209 ? 0.7689 0.6619 0.6785 0.0647 0.1709 0.0877 291 THR A OG1 962 C CG2 . THR A 209 ? 0.7147 0.6454 0.6706 0.0581 0.1666 0.0953 291 THR A CG2 963 N N . ALA A 210 ? 0.6958 0.6470 0.6732 0.0388 0.1677 0.1143 292 ALA A N 964 C CA . ALA A 210 ? 0.6372 0.6078 0.6423 0.0284 0.1632 0.1211 292 ALA A CA 965 C C . ALA A 210 ? 0.7022 0.6930 0.7221 0.0302 0.1708 0.1309 292 ALA A C 966 O O . ALA A 210 ? 0.7306 0.7440 0.7775 0.0258 0.1692 0.1364 292 ALA A O 967 C CB . ALA A 210 ? 0.5927 0.5507 0.5933 0.0172 0.1549 0.1202 292 ALA A CB 968 N N . ASN A 211 ? 0.6797 0.6624 0.6821 0.0365 0.1787 0.1329 293 ASN A N 969 C CA . ASN A 211 ? 0.5467 0.5465 0.5604 0.0388 0.1868 0.1422 293 ASN A CA 970 C C . ASN A 211 ? 0.5730 0.5912 0.6011 0.0474 0.1921 0.1450 293 ASN A C 971 O O . ASN A 211 ? 0.6141 0.6545 0.6644 0.0454 0.1945 0.1532 293 ASN A O 972 C CB . ASN A 211 ? 0.5601 0.5449 0.5493 0.0443 0.1939 0.1429 293 ASN A CB 973 C CG . ASN A 211 ? 0.6842 0.6857 0.6841 0.0467 0.2026 0.1529 293 ASN A CG 974 O OD1 . ASN A 211 ? 0.7518 0.7596 0.7509 0.0569 0.2106 0.1548 293 ASN A OD1 975 N ND2 . ASN A 211 ? 0.7015 0.7094 0.7113 0.0372 0.2011 0.1594 293 ASN A ND2 976 N N . HIS A 212 ? 0.5129 0.5215 0.5284 0.0567 0.1932 0.1383 294 HIS A N 977 C CA . HIS A 212 ? 0.4728 0.4964 0.4997 0.0657 0.1974 0.1405 294 HIS A CA 978 C C . HIS A 212 ? 0.5460 0.5912 0.6010 0.0598 0.1906 0.1423 294 HIS A C 979 O O . HIS A 212 ? 0.7352 0.7998 0.8067 0.0644 0.1931 0.1469 294 HIS A O 980 C CB . HIS A 212 ? 0.5726 0.5775 0.5776 0.0764 0.1992 0.1324 294 HIS A CB 981 C CG . HIS A 212 ? 0.7597 0.7454 0.7385 0.0837 0.2062 0.1307 294 HIS A CG 982 N ND1 . HIS A 212 ? 0.8264 0.7938 0.7848 0.0934 0.2085 0.1240 294 HIS A ND1 983 C CD2 . HIS A 212 ? 0.7829 0.7646 0.7529 0.0825 0.2112 0.1347 294 HIS A CD2 984 C CE1 . HIS A 212 ? 0.8401 0.7932 0.7783 0.0977 0.2143 0.1237 294 HIS A CE1 985 N NE2 . HIS A 212 ? 0.8069 0.7687 0.7513 0.0916 0.2162 0.1302 294 HIS A NE2 986 N N . GLN A 213 ? 0.4832 0.5247 0.5433 0.0496 0.1817 0.1386 295 GLN A N 987 C CA . GLN A 213 ? 0.5473 0.6079 0.6336 0.0431 0.1739 0.1393 295 GLN A CA 988 C C . GLN A 213 ? 0.6387 0.7116 0.7453 0.0295 0.1685 0.1446 295 GLN A C 989 O O . GLN A 213 ? 0.4516 0.5322 0.5753 0.0205 0.1591 0.1427 295 GLN A O 990 C CB . GLN A 213 ? 0.5605 0.6082 0.6391 0.0425 0.1670 0.1301 295 GLN A CB 991 C CG . GLN A 213 ? 0.5356 0.5725 0.5968 0.0555 0.1713 0.1247 295 GLN A CG 992 C CD . GLN A 213 ? 0.5901 0.6077 0.6367 0.0551 0.1657 0.1150 295 GLN A CD 993 O OE1 . GLN A 213 ? 0.6167 0.6417 0.6775 0.0491 0.1582 0.1127 295 GLN A OE1 994 N NE2 . GLN A 213 ? 0.6021 0.5948 0.6204 0.0614 0.1689 0.1091 295 GLN A NE2 995 N N . GLU A 214 ? 0.7666 0.8400 0.8707 0.0281 0.1741 0.1510 296 GLU A N 996 C CA . GLU A 214 ? 0.7347 0.8199 0.8579 0.0161 0.1702 0.1572 296 GLU A CA 997 C C . GLU A 214 ? 0.6095 0.6821 0.7324 0.0040 0.1597 0.1527 296 GLU A C 998 O O . GLU A 214 ? 0.5906 0.6754 0.7360 -0.0065 0.1511 0.1536 296 GLU A O 999 C CB . GLU A 214 ? 0.7836 0.8978 0.9373 0.0134 0.1679 0.1624 296 GLU A CB 1000 C CG . GLU A 214 ? 0.8510 0.9784 1.0064 0.0252 0.1776 0.1674 296 GLU A CG 1001 C CD . GLU A 214 ? 0.9470 1.1029 1.1315 0.0227 0.1742 0.1720 296 GLU A CD 1002 O OE1 . GLU A 214 ? 0.9948 1.1604 1.1986 0.0110 0.1643 0.1713 296 GLU A OE1 1003 O OE2 . GLU A 214 ? 0.9852 1.1529 1.1728 0.0323 0.1807 0.1760 296 GLU A OE2 1004 N N . VAL A 215 ? 0.4974 0.5446 0.5942 0.0054 0.1597 0.1475 297 VAL A N 1005 C CA . VAL A 215 ? 0.5469 0.5790 0.6400 -0.0053 0.1498 0.1434 297 VAL A CA 1006 C C . VAL A 215 ? 0.6723 0.6862 0.7441 -0.0065 0.1525 0.1448 297 VAL A C 1007 O O . VAL A 215 ? 0.7104 0.7086 0.7566 0.0021 0.1583 0.1419 297 VAL A O 1008 C CB . VAL A 215 ? 0.5601 0.5774 0.6424 -0.0037 0.1436 0.1338 297 VAL A CB 1009 C CG1 . VAL A 215 ? 0.5745 0.5729 0.6492 -0.0136 0.1334 0.1293 297 VAL A CG1 1010 C CG2 . VAL A 215 ? 0.2718 0.3079 0.3771 -0.0041 0.1392 0.1323 297 VAL A CG2 1011 N N . LYS A 216 ? 0.6764 0.6923 0.7584 -0.0171 0.1477 0.1490 298 LYS A N 1012 C CA . LYS A 216 ? 0.6389 0.6399 0.7030 -0.0189 0.1498 0.1515 298 LYS A CA 1013 C C . LYS A 216 ? 0.5709 0.5458 0.6114 -0.0202 0.1429 0.1434 298 LYS A C 1014 O O . LYS A 216 ? 0.4106 0.3801 0.4555 -0.0245 0.1334 0.1370 298 LYS A O 1015 C CB . LYS A 216 ? 0.6224 0.6326 0.7049 -0.0301 0.1462 0.1580 298 LYS A CB 1016 N N . SER A 217 ? 0.6252 0.5847 0.6412 -0.0163 0.1471 0.1437 299 SER A N 1017 C CA . SER A 217 ? 0.6207 0.5560 0.6128 -0.0167 0.1405 0.1362 299 SER A CA 1018 C C . SER A 217 ? 0.6094 0.5336 0.5864 -0.0195 0.1408 0.1399 299 SER A C 1019 O O . SER A 217 ? 0.5728 0.5008 0.5427 -0.0145 0.1504 0.1456 299 SER A O 1020 C CB . SER A 217 ? 0.6309 0.5553 0.6016 -0.0054 0.1452 0.1291 299 SER A CB 1021 O OG . SER A 217 ? 0.6187 0.5476 0.5803 0.0041 0.1572 0.1330 299 SER A OG 1022 N N . GLY A 218 ? 0.5700 0.4809 0.5425 -0.0272 0.1300 0.1366 300 GLY A N 1023 C CA . GLY A 218 ? 0.5754 0.4753 0.5337 -0.0303 0.1286 0.1399 300 GLY A CA 1024 C C . GLY A 218 ? 0.6960 0.5744 0.6296 -0.0283 0.1219 0.1321 300 GLY A C 1025 O O . GLY A 218 ? 0.7101 0.5806 0.6463 -0.0336 0.1104 0.1264 300 GLY A O 1026 N N . THR A 219 ? 0.8256 0.6952 0.7356 -0.0204 0.1286 0.1316 301 THR A N 1027 C CA . THR A 219 ? 0.8747 0.7247 0.7603 -0.0174 0.1229 0.1235 301 THR A CA 1028 C C . THR A 219 ? 0.9121 0.7528 0.7838 -0.0200 0.1203 0.1271 301 THR A C 1029 O O . THR A 219 ? 0.9885 0.8365 0.8645 -0.0219 0.1259 0.1362 301 THR A O 1030 C CB . THR A 219 ? 1.0366 0.8805 0.9027 -0.0061 0.1312 0.1178 301 THR A CB 1031 O OG1 . THR A 219 ? 1.2467 1.0715 1.0904 -0.0042 0.1246 0.1087 301 THR A OG1 1032 C CG2 . THR A 219 ? 1.0474 0.8959 0.9046 -0.0002 0.1430 0.1245 301 THR A CG2 1033 N N . TYR A 220 ? 0.9503 0.7752 0.8057 -0.0201 0.1118 0.1201 302 TYR A N 1034 C CA . TYR A 220 ? 0.8497 0.6652 0.6908 -0.0217 0.1086 0.1228 302 TYR A CA 1035 C C . TYR A 220 ? 0.9084 0.7070 0.7229 -0.0161 0.1057 0.1135 302 TYR A C 1036 O O . TYR A 220 ? 0.9537 0.7439 0.7664 -0.0182 0.0956 0.1055 302 TYR A O 1037 C CB . TYR A 220 ? 0.6992 0.5155 0.5560 -0.0315 0.0971 0.1257 302 TYR A CB 1038 C CG . TYR A 220 ? 0.8761 0.6902 0.7274 -0.0345 0.0969 0.1340 302 TYR A CG 1039 C CD1 . TYR A 220 ? 0.9529 0.7541 0.7849 -0.0324 0.0921 0.1313 302 TYR A CD1 1040 C CD2 . TYR A 220 ? 1.0043 0.8290 0.8697 -0.0395 0.1016 0.1444 302 TYR A CD2 1041 C CE1 . TYR A 220 ? 0.9459 0.7454 0.7730 -0.0348 0.0921 0.1394 302 TYR A CE1 1042 C CE2 . TYR A 220 ? 0.9609 0.7830 0.8208 -0.0424 0.1015 0.1522 302 TYR A CE2 1043 C CZ . TYR A 220 ? 0.8847 0.6945 0.7256 -0.0398 0.0968 0.1501 302 TYR A CZ 1044 O OH . TYR A 220 ? 0.6904 0.4979 0.5258 -0.0423 0.0968 0.1584 302 TYR A OH 1045 N N . PHE A 221 ? 0.9309 0.7247 0.7251 -0.0090 0.1144 0.1142 303 PHE A N 1046 C CA . PHE A 221 ? 1.0292 0.8062 0.7960 -0.0038 0.1126 0.1057 303 PHE A CA 1047 C C . PHE A 221 ? 1.0877 0.8564 0.8478 -0.0001 0.1101 0.0939 303 PHE A C 1048 O O . PHE A 221 ? 1.2550 1.0105 1.0021 -0.0009 0.1015 0.0856 303 PHE A O 1049 C CB . PHE A 221 ? 1.0549 0.8228 0.8142 -0.0086 0.1022 0.1054 303 PHE A CB 1050 C CG . PHE A 221 ? 1.1201 0.8926 0.8795 -0.0109 0.1051 0.1164 303 PHE A CG 1051 C CD1 . PHE A 221 ? 1.1308 0.9118 0.8897 -0.0074 0.1170 0.1242 303 PHE A CD1 1052 C CD2 . PHE A 221 ? 1.1823 0.9507 0.9423 -0.0162 0.0960 0.1190 303 PHE A CD2 1053 C CE1 . PHE A 221 ? 1.2349 1.0199 0.9935 -0.0098 0.1197 0.1345 303 PHE A CE1 1054 C CE2 . PHE A 221 ? 1.2443 1.0164 1.0041 -0.0183 0.0987 0.1296 303 PHE A CE2 1055 C CZ . PHE A 221 ? 1.2742 1.0544 1.0329 -0.0154 0.1105 0.1373 303 PHE A CZ 1056 N N . TRP A 222 ? 0.8942 0.6708 0.6630 0.0041 0.1175 0.0935 304 TRP A N 1057 C CA . TRP A 222 ? 0.7011 0.4695 0.4623 0.0086 0.1168 0.0830 304 TRP A CA 1058 C C . TRP A 222 ? 0.6659 0.4278 0.4082 0.0184 0.1271 0.0803 304 TRP A C 1059 O O . TRP A 222 ? 0.6966 0.4686 0.4431 0.0225 0.1374 0.0874 304 TRP A O 1060 C CB . TRP A 222 ? 0.5854 0.3661 0.3702 0.0068 0.1166 0.0833 304 TRP A CB 1061 C CG . TRP A 222 ? 0.7045 0.4759 0.4828 0.0098 0.1131 0.0724 304 TRP A CG 1062 C CD1 . TRP A 222 ? 0.6911 0.4586 0.4603 0.0181 0.1207 0.0677 304 TRP A CD1 1063 C CD2 . TRP A 222 ? 0.6734 0.4380 0.4541 0.0045 0.1010 0.0648 304 TRP A CD2 1064 N NE1 . TRP A 222 ? 0.6011 0.3593 0.3665 0.0179 0.1143 0.0580 304 TRP A NE1 1065 C CE2 . TRP A 222 ? 0.5583 0.3151 0.3306 0.0096 0.1022 0.0560 304 TRP A CE2 1066 C CE3 . TRP A 222 ? 0.6537 0.4188 0.4440 -0.0037 0.0891 0.0645 304 TRP A CE3 1067 C CZ2 . TRP A 222 ? 0.5425 0.2926 0.3152 0.0064 0.0921 0.0472 304 TRP A CZ2 1068 C CZ3 . TRP A 222 ? 0.5694 0.3289 0.3609 -0.0063 0.0788 0.0553 304 TRP A CZ3 1069 C CH2 . TRP A 222 ? 0.5271 0.2795 0.3097 -0.0016 0.0804 0.0469 304 TRP A CH2 1070 N N . PRO A 223 ? 0.6364 0.3812 0.3582 0.0219 0.1240 0.0698 305 PRO A N 1071 C CA . PRO A 223 ? 0.6453 0.3808 0.3484 0.0309 0.1320 0.0656 305 PRO A CA 1072 C C . PRO A 223 ? 0.6442 0.3911 0.3598 0.0375 0.1424 0.0684 305 PRO A C 1073 O O . PRO A 223 ? 0.7204 0.4704 0.4472 0.0377 0.1408 0.0647 305 PRO A O 1074 C CB . PRO A 223 ? 0.5634 0.2802 0.2508 0.0309 0.1240 0.0534 305 PRO A CB 1075 C CG . PRO A 223 ? 0.5472 0.2612 0.2364 0.0222 0.1120 0.0524 305 PRO A CG 1076 C CD . PRO A 223 ? 0.6200 0.3526 0.3355 0.0168 0.1115 0.0612 305 PRO A CD 1077 N N . GLY A 224 ? 0.6530 0.4068 0.3667 0.0430 0.1527 0.0750 306 GLY A N 1078 C CA . GLY A 224 ? 0.7090 0.4748 0.4347 0.0498 0.1629 0.0785 306 GLY A CA 1079 C C . GLY A 224 ? 0.7959 0.5841 0.5457 0.0465 0.1675 0.0902 306 GLY A C 1080 O O . GLY A 224 ? 0.9052 0.7066 0.6674 0.0518 0.1762 0.0948 306 GLY A O 1081 N N . SER A 225 ? 0.7573 0.5497 0.5145 0.0376 0.1612 0.0951 307 SER A N 1082 C CA . SER A 225 ? 0.7584 0.5708 0.5392 0.0327 0.1643 0.1064 307 SER A CA 1083 C C . SER A 225 ? 0.9204 0.7377 0.6951 0.0359 0.1733 0.1147 307 SER A C 1084 O O . SER A 225 ? 1.0028 0.8376 0.7953 0.0359 0.1803 0.1235 307 SER A O 1085 C CB . SER A 225 ? 0.7169 0.5306 0.5092 0.0215 0.1533 0.1086 307 SER A CB 1086 O OG . SER A 225 ? 0.8515 0.6581 0.6460 0.0187 0.1442 0.1000 307 SER A OG 1087 N N . ASP A 226 ? 0.9218 0.7242 0.6719 0.0383 0.1729 0.1118 308 ASP A N 1088 C CA . ASP A 226 ? 0.8336 0.6393 0.5755 0.0418 0.1815 0.1192 308 ASP A CA 1089 C C . ASP A 226 ? 0.8539 0.6642 0.5938 0.0523 0.1933 0.1195 308 ASP A C 1090 O O . ASP A 226 ? 0.9370 0.7603 0.6848 0.0546 0.2023 0.1285 308 ASP A O 1091 C CB . ASP A 226 ? 0.8212 0.6094 0.5361 0.0422 0.1777 0.1155 308 ASP A CB 1092 C CG . ASP A 226 ? 0.9117 0.6894 0.6232 0.0345 0.1643 0.1101 308 ASP A CG 1093 O OD1 . ASP A 226 ? 0.9487 0.7180 0.6460 0.0318 0.1598 0.1110 308 ASP A OD1 1094 O OD2 . ASP A 226 ? 0.9174 0.6955 0.6403 0.0314 0.1581 0.1050 308 ASP A OD2 1095 N N . VAL A 227 ? 0.8299 0.6292 0.5596 0.0585 0.1930 0.1099 309 VAL A N 1096 C CA . VAL A 227 ? 0.8628 0.6641 0.5899 0.0690 0.2032 0.1095 309 VAL A CA 1097 C C . VAL A 227 ? 0.9018 0.7216 0.6557 0.0700 0.2067 0.1133 309 VAL A C 1098 O O . VAL A 227 ? 1.0673 0.8914 0.8356 0.0642 0.1996 0.1112 309 VAL A O 1099 C CB . VAL A 227 ? 0.9703 0.7503 0.6753 0.0750 0.2009 0.0977 309 VAL A CB 1100 C CG1 . VAL A 227 ? 1.0773 0.8546 0.7721 0.0861 0.2118 0.0981 309 VAL A CG1 1101 C CG2 . VAL A 227 ? 1.0330 0.7948 0.7155 0.0708 0.1928 0.0920 309 VAL A CG2 1102 N N . GLU A 228 ? 0.9220 0.7531 0.6823 0.0774 0.2175 0.1191 310 GLU A N 1103 C CA . GLU A 228 ? 1.0222 0.8716 0.8075 0.0794 0.2210 0.1229 310 GLU A CA 1104 C C . GLU A 228 ? 1.0454 0.8855 0.8236 0.0881 0.2223 0.1149 310 GLU A C 1105 O O . GLU A 228 ? 1.1043 0.9334 0.8650 0.0969 0.2283 0.1123 310 GLU A O 1106 C CB . GLU A 228 ? 1.1105 0.9792 0.9097 0.0825 0.2315 0.1343 310 GLU A CB 1107 C CG . GLU A 228 ? 1.1993 1.0602 0.9782 0.0902 0.2403 0.1362 310 GLU A CG 1108 C CD . GLU A 228 ? 1.2890 1.1702 1.0836 0.0921 0.2502 0.1483 310 GLU A CD 1109 O OE1 . GLU A 228 ? 1.3085 1.2097 1.1300 0.0868 0.2495 0.1549 310 GLU A OE1 1110 O OE2 . GLU A 228 ? 1.2954 1.1726 1.0756 0.0988 0.2585 0.1511 310 GLU A OE2 1111 N N . ILE A 229 ? 0.9629 0.8068 0.7548 0.0855 0.2165 0.1111 311 ILE A N 1112 C CA . ILE A 229 ? 0.9701 0.8062 0.7580 0.0930 0.2170 0.1043 311 ILE A CA 1113 C C . ILE A 229 ? 1.0045 0.8621 0.8166 0.0975 0.2228 0.1107 311 ILE A C 1114 O O . ILE A 229 ? 1.0447 0.9210 0.8804 0.0912 0.2203 0.1161 311 ILE A O 1115 C CB . ILE A 229 ? 0.9512 0.7755 0.7362 0.0877 0.2061 0.0950 311 ILE A CB 1116 C CG1 . ILE A 229 ? 0.8043 0.6096 0.5680 0.0820 0.1991 0.0894 311 ILE A CG1 1117 C CG2 . ILE A 229 ? 1.0512 0.8646 0.8295 0.0954 0.2065 0.0879 311 ILE A CG2 1118 N N . ASP A 230 ? 1.0066 0.8611 0.8127 0.1081 0.2300 0.1103 312 ASP A N 1119 C CA . ASP A 230 ? 1.0175 0.8919 0.8446 0.1138 0.2361 0.1170 312 ASP A CA 1120 C C . ASP A 230 ? 0.8981 0.7961 0.7449 0.1108 0.2415 0.1286 312 ASP A C 1121 O O . ASP A 230 ? 0.8309 0.7505 0.7026 0.1102 0.2427 0.1347 312 ASP A O 1122 C CB . ASP A 230 ? 1.1040 0.9848 0.9472 0.1116 0.2295 0.1137 312 ASP A CB 1123 C CG . ASP A 230 ? 1.1713 1.0669 1.0299 0.1198 0.2351 0.1183 312 ASP A CG 1124 O OD1 . ASP A 230 ? 1.1343 1.0257 0.9835 0.1292 0.2432 0.1204 312 ASP A OD1 1125 O OD2 . ASP A 230 ? 1.2189 1.1301 1.0988 0.1168 0.2312 0.1201 312 ASP A OD2 1126 N N . GLY A 231 ? 0.8159 0.7097 0.6514 0.1085 0.2444 0.1317 313 GLY A N 1127 C CA . GLY A 231 ? 0.8245 0.7382 0.6761 0.1051 0.2496 0.1428 313 GLY A CA 1128 C C . GLY A 231 ? 0.8108 0.7396 0.6851 0.0929 0.2424 0.1468 313 GLY A C 1129 O O . GLY A 231 ? 0.7521 0.7016 0.6474 0.0894 0.2457 0.1565 313 GLY A O 1130 N N . ILE A 232 ? 0.7816 0.6995 0.6518 0.0863 0.2324 0.1394 314 ILE A N 1131 C CA . ILE A 232 ? 0.8011 0.7305 0.6916 0.0745 0.2245 0.1421 314 ILE A CA 1132 C C . ILE A 232 ? 0.8289 0.7439 0.7060 0.0656 0.2173 0.1396 314 ILE A C 1133 O O . ILE A 232 ? 0.7928 0.6864 0.6461 0.0674 0.2136 0.1311 314 ILE A O 1134 C CB . ILE A 232 ? 0.8784 0.8108 0.7808 0.0735 0.2179 0.1366 314 ILE A CB 1135 C CG1 . ILE A 232 ? 1.0248 0.9720 0.9409 0.0825 0.2243 0.1395 314 ILE A CG1 1136 C CG2 . ILE A 232 ? 0.8195 0.7640 0.7437 0.0611 0.2097 0.1396 314 ILE A CG2 1137 C CD1 . ILE A 232 ? 1.1005 1.0742 1.0427 0.0803 0.2291 0.1510 314 ILE A CD1 1138 N N . LEU A 233 ? 0.9100 0.8366 0.8026 0.0558 0.2148 0.1471 315 LEU A N 1139 C CA . LEU A 233 ? 0.8799 0.7945 0.7630 0.0466 0.2069 0.1458 315 LEU A CA 1140 C C . LEU A 233 ? 0.8525 0.7776 0.7594 0.0352 0.1981 0.1479 315 LEU A C 1141 O O . LEU A 233 ? 0.8848 0.8304 0.8172 0.0330 0.2002 0.1542 315 LEU A O 1142 C CB . LEU A 233 ? 0.8611 0.7764 0.7372 0.0455 0.2123 0.1535 315 LEU A CB 1143 C CG . LEU A 233 ? 0.9318 0.8285 0.7770 0.0528 0.2164 0.1496 315 LEU A CG 1144 C CD1 . LEU A 233 ? 0.9503 0.8497 0.7914 0.0500 0.2208 0.1583 315 LEU A CD1 1145 C CD2 . LEU A 233 ? 0.9125 0.7873 0.7372 0.0509 0.2070 0.1390 315 LEU A CD2 1146 N N . PRO A 234 ? 0.8259 0.7370 0.7250 0.0280 0.1877 0.1425 316 PRO A N 1147 C CA . PRO A 234 ? 0.7655 0.6839 0.6857 0.0166 0.1784 0.1442 316 PRO A CA 1148 C C . PRO A 234 ? 0.7559 0.6889 0.6944 0.0090 0.1801 0.1549 316 PRO A C 1149 O O . PRO A 234 ? 0.8378 0.7674 0.7652 0.0100 0.1850 0.1598 316 PRO A O 1150 C CB . PRO A 234 ? 0.7453 0.6425 0.6476 0.0117 0.1681 0.1371 316 PRO A CB 1151 C CG . PRO A 234 ? 0.7516 0.6331 0.6248 0.0190 0.1727 0.1342 316 PRO A CG 1152 C CD . PRO A 234 ? 0.8358 0.7231 0.7060 0.0303 0.1836 0.1340 316 PRO A CD 1153 N N . ASP A 235 ? 0.7342 0.6830 0.7003 0.0016 0.1760 0.1583 317 ASP A N 1154 C CA . ASP A 235 ? 0.6845 0.6487 0.6712 -0.0059 0.1775 0.1681 317 ASP A CA 1155 C C . ASP A 235 ? 0.6234 0.5752 0.6000 -0.0133 0.1731 0.1708 317 ASP A C 1156 O O . ASP A 235 ? 0.6361 0.5952 0.6183 -0.0161 0.1780 0.1793 317 ASP A O 1157 C CB . ASP A 235 ? 0.6148 0.5952 0.6317 -0.0138 0.1711 0.1689 317 ASP A CB 1158 C CG . ASP A 235 ? 0.6181 0.6121 0.6460 -0.0064 0.1749 0.1668 317 ASP A CG 1159 O OD1 . ASP A 235 ? 0.6593 0.6734 0.7141 -0.0106 0.1736 0.1706 317 ASP A OD1 1160 O OD2 . ASP A 235 ? 0.6016 0.5861 0.6108 0.0037 0.1789 0.1612 317 ASP A OD2 1161 N N . ILE A 236 ? 0.5850 0.5183 0.5467 -0.0163 0.1638 0.1637 318 ILE A N 1162 C CA . ILE A 236 ? 0.6599 0.5791 0.6079 -0.0217 0.1590 0.1654 318 ILE A CA 1163 C C . ILE A 236 ? 0.5956 0.4941 0.5143 -0.0162 0.1560 0.1574 318 ILE A C 1164 O O . ILE A 236 ? 0.5299 0.4193 0.4448 -0.0167 0.1481 0.1490 318 ILE A O 1165 C CB . ILE A 236 ? 0.6583 0.5764 0.6224 -0.0342 0.1472 0.1654 318 ILE A CB 1166 C CG1 . ILE A 236 ? 0.6047 0.5426 0.5978 -0.0407 0.1495 0.1729 318 ILE A CG1 1167 C CG2 . ILE A 236 ? 0.4461 0.3486 0.3945 -0.0387 0.1418 0.1669 318 ILE A CG2 1168 C CD1 . ILE A 236 ? 0.6603 0.5962 0.6691 -0.0528 0.1380 0.1720 318 ILE A CD1 1169 N N . TYR A 237 ? 0.6340 0.5253 0.5322 -0.0109 0.1623 0.1599 319 TYR A N 1170 C CA . TYR A 237 ? 0.7234 0.5955 0.5932 -0.0054 0.1598 0.1523 319 TYR A CA 1171 C C . TYR A 237 ? 0.7946 0.6567 0.6482 -0.0077 0.1583 0.1563 319 TYR A C 1172 O O . TYR A 237 ? 0.7560 0.6260 0.6187 -0.0123 0.1613 0.1656 319 TYR A O 1173 C CB . TYR A 237 ? 0.7829 0.6538 0.6385 0.0068 0.1696 0.1483 319 TYR A CB 1174 C CG . TYR A 237 ? 0.7921 0.6686 0.6407 0.0126 0.1814 0.1555 319 TYR A CG 1175 C CD1 . TYR A 237 ? 0.7283 0.6244 0.5981 0.0120 0.1891 0.1646 319 TYR A CD1 1176 C CD2 . TYR A 237 ? 0.7454 0.6080 0.5667 0.0187 0.1846 0.1532 319 TYR A CD2 1177 C CE1 . TYR A 237 ? 0.7188 0.6203 0.5827 0.0175 0.2000 0.1714 319 TYR A CE1 1178 C CE2 . TYR A 237 ? 0.7648 0.6323 0.5795 0.0243 0.1954 0.1597 319 TYR A CE2 1179 C CZ . TYR A 237 ? 0.7767 0.6637 0.6128 0.0238 0.2033 0.1690 319 TYR A CZ 1180 O OH . TYR A 237 ? 0.8022 0.6944 0.6321 0.0295 0.2142 0.1757 319 TYR A OH 1181 N N . LYS A 238 ? 0.8563 0.7012 0.6861 -0.0044 0.1536 0.1491 320 LYS A N 1182 C CA . LYS A 238 ? 0.7678 0.6026 0.5800 -0.0055 0.1517 0.1521 320 LYS A CA 1183 C C . LYS A 238 ? 0.7869 0.6064 0.5697 0.0033 0.1535 0.1441 320 LYS A C 1184 O O . LYS A 238 ? 0.8382 0.6467 0.6122 0.0047 0.1469 0.1341 320 LYS A O 1185 C CB . LYS A 238 ? 0.5416 0.3702 0.3600 -0.0150 0.1386 0.1521 320 LYS A CB 1186 N N . VAL A 239 ? 0.7929 0.6113 0.5604 0.0089 0.1622 0.1481 321 VAL A N 1187 C CA . VAL A 239 ? 0.8638 0.6670 0.6023 0.0167 0.1638 0.1408 321 VAL A CA 1188 C C . VAL A 239 ? 0.8995 0.6879 0.6242 0.0126 0.1519 0.1358 321 VAL A C 1189 O O . VAL A 239 ? 0.9995 0.7895 0.7302 0.0057 0.1464 0.1423 321 VAL A O 1190 C CB . VAL A 239 ? 0.8638 0.6690 0.5893 0.0225 0.1747 0.1473 321 VAL A CB 1191 C CG1 . VAL A 239 ? 0.7512 0.5682 0.4856 0.0294 0.1867 0.1496 321 VAL A CG1 1192 C CG2 . VAL A 239 ? 0.9008 0.7127 0.6340 0.0155 0.1742 0.1589 321 VAL A CG2 1193 N N . TYR A 240 ? 0.8139 0.5879 0.5209 0.0167 0.1478 0.1244 322 TYR A N 1194 C CA . TYR A 240 ? 0.8069 0.5678 0.5037 0.0127 0.1355 0.1183 322 TYR A CA 1195 C C . TYR A 240 ? 0.8666 0.6223 0.5493 0.0110 0.1330 0.1235 322 TYR A C 1196 O O . TYR A 240 ? 0.9237 0.6752 0.5876 0.0166 0.1397 0.1248 322 TYR A O 1197 C CB . TYR A 240 ? 0.7146 0.4603 0.3934 0.0175 0.1323 0.1049 322 TYR A CB 1198 C CG . TYR A 240 ? 0.7373 0.4704 0.4070 0.0130 0.1192 0.0981 322 TYR A CG 1199 C CD1 . TYR A 240 ? 0.8106 0.5462 0.4975 0.0064 0.1097 0.0960 322 TYR A CD1 1200 C CD2 . TYR A 240 ? 0.7301 0.4494 0.3747 0.0153 0.1162 0.0939 322 TYR A CD2 1201 C CE1 . TYR A 240 ? 0.8083 0.5333 0.4880 0.0026 0.0977 0.0898 322 TYR A CE1 1202 C CE2 . TYR A 240 ? 0.7738 0.4826 0.4109 0.0112 0.1041 0.0879 322 TYR A CE2 1203 C CZ . TYR A 240 ? 0.7705 0.4823 0.4254 0.0049 0.0950 0.0859 322 TYR A CZ 1204 O OH . TYR A 240 ? 0.7617 0.4639 0.4101 0.0011 0.0830 0.0800 322 TYR A OH 1205 N N . ASN A 241 ? 0.7970 0.5532 0.4896 0.0035 0.1233 0.1266 323 ASN A N 1206 C CA . ASN A 241 ? 0.8884 0.6397 0.5696 0.0014 0.1192 0.1317 323 ASN A CA 1207 C C . ASN A 241 ? 0.8723 0.6159 0.5556 -0.0038 0.1054 0.1267 323 ASN A C 1208 O O . ASN A 241 ? 0.8627 0.6131 0.5677 -0.0104 0.0994 0.1308 323 ASN A O 1209 C CB . ASN A 241 ? 0.9416 0.7057 0.6381 -0.0029 0.1240 0.1457 323 ASN A CB 1210 C CG . ASN A 241 ? 1.0405 0.8001 0.7235 -0.0038 0.1219 0.1523 323 ASN A CG 1211 O OD1 . ASN A 241 ? 1.0436 0.7912 0.7060 -0.0012 0.1166 0.1464 323 ASN A OD1 1212 N ND2 . ASN A 241 ? 1.2353 1.0046 0.9297 -0.0076 0.1263 0.1645 323 ASN A ND2 1213 N N . GLY A 242 ? 0.8370 0.5665 0.4981 -0.0009 0.1000 0.1175 324 GLY A N 1214 C CA . GLY A 242 ? 0.8349 0.5568 0.4966 -0.0051 0.0869 0.1114 324 GLY A CA 1215 C C . GLY A 242 ? 0.8238 0.5481 0.4913 -0.0098 0.0806 0.1198 324 GLY A C 1216 O O . GLY A 242 ? 0.7577 0.4778 0.4298 -0.0135 0.0697 0.1160 324 GLY A O 1217 N N . SER A 243 ? 0.8218 0.5527 0.4893 -0.0095 0.0875 0.1313 325 SER A N 1218 C CA . SER A 243 ? 0.7971 0.5301 0.4696 -0.0135 0.0826 0.1405 325 SER A CA 1219 C C . SER A 243 ? 0.8886 0.6320 0.5919 -0.0205 0.0795 0.1474 325 SER A C 1220 O O . SER A 243 ? 0.9536 0.6978 0.6656 -0.0244 0.0732 0.1534 325 SER A O 1221 C CB . SER A 243 ? 0.7929 0.5281 0.4519 -0.0106 0.0912 0.1502 325 SER A CB 1222 O OG . SER A 243 ? 0.8485 0.5739 0.4792 -0.0041 0.0940 0.1434 325 SER A OG 1223 N N . VAL A 244 ? 0.9266 0.6781 0.6466 -0.0218 0.0839 0.1466 326 VAL A N 1224 C CA . VAL A 244 ? 0.9161 0.6777 0.6658 -0.0288 0.0809 0.1522 326 VAL A CA 1225 C C . VAL A 244 ? 0.9776 0.7353 0.7389 -0.0321 0.0684 0.1458 326 VAL A C 1226 O O . VAL A 244 ? 0.9817 0.7337 0.7380 -0.0301 0.0643 0.1343 326 VAL A O 1227 C CB . VAL A 244 ? 0.7450 0.5160 0.5088 -0.0291 0.0878 0.1512 326 VAL A CB 1228 C CG1 . VAL A 244 ? 0.6815 0.4620 0.4755 -0.0372 0.0829 0.1557 326 VAL A CG1 1229 C CG2 . VAL A 244 ? 0.5640 0.3405 0.3193 -0.0255 0.1009 0.1579 326 VAL A CG2 1230 N N . PRO A 245 ? 0.9849 0.7454 0.7617 -0.0370 0.0627 0.1530 327 PRO A N 1231 C CA . PRO A 245 ? 0.9958 0.7533 0.7852 -0.0394 0.0516 0.1471 327 PRO A CA 1232 C C . PRO A 245 ? 0.9872 0.7504 0.7967 -0.0418 0.0489 0.1401 327 PRO A C 1233 O O . PRO A 245 ? 0.8985 0.6710 0.7224 -0.0445 0.0542 0.1447 327 PRO A O 1234 C CB . PRO A 245 ? 0.9290 0.6907 0.7346 -0.0436 0.0494 0.1586 327 PRO A CB 1235 C CG . PRO A 245 ? 0.9331 0.7028 0.7424 -0.0464 0.0583 0.1700 327 PRO A CG 1236 C CD . PRO A 245 ? 0.9707 0.7372 0.7544 -0.0406 0.0667 0.1669 327 PRO A CD 1237 N N . PHE A 246 ? 0.9541 0.7120 0.7638 -0.0411 0.0405 0.1290 328 PHE A N 1238 C CA . PHE A 246 ? 0.7972 0.5599 0.6232 -0.0427 0.0374 0.1209 328 PHE A CA 1239 C C . PHE A 246 ? 0.7545 0.5282 0.6119 -0.0477 0.0366 0.1268 328 PHE A C 1240 O O . PHE A 246 ? 0.6872 0.4687 0.5586 -0.0496 0.0389 0.1260 328 PHE A O 1241 C CB . PHE A 246 ? 0.7244 0.4802 0.5451 -0.0417 0.0276 0.1084 328 PHE A CB 1242 C CG . PHE A 246 ? 0.7221 0.4666 0.5134 -0.0375 0.0273 0.1009 328 PHE A CG 1243 C CD1 . PHE A 246 ? 0.7460 0.4879 0.5203 -0.0339 0.0364 0.1020 328 PHE A CD1 1244 C CD2 . PHE A 246 ? 0.6424 0.3790 0.4233 -0.0372 0.0179 0.0924 328 PHE A CD2 1245 C CE1 . PHE A 246 ? 0.6067 0.3371 0.3542 -0.0299 0.0363 0.0945 328 PHE A CE1 1246 C CE2 . PHE A 246 ? 0.5866 0.3120 0.3408 -0.0340 0.0171 0.0854 328 PHE A CE2 1247 C CZ . PHE A 246 ? 0.5319 0.2536 0.2693 -0.0303 0.0264 0.0862 328 PHE A CZ 1248 N N . GLU A 247 ? 0.7216 0.4950 0.5895 -0.0496 0.0334 0.1324 329 GLU A N 1249 C CA . GLU A 247 ? 0.6194 0.4008 0.5170 -0.0536 0.0334 0.1372 329 GLU A CA 1250 C C . GLU A 247 ? 0.5744 0.3661 0.4832 -0.0581 0.0398 0.1481 329 GLU A C 1251 O O . GLU A 247 ? 0.5945 0.3953 0.5266 -0.0613 0.0395 0.1471 329 GLU A O 1252 C CB . GLU A 247 ? 0.5551 0.3316 0.4573 -0.0536 0.0316 0.1420 329 GLU A CB 1253 N N . GLU A 248 ? 0.6223 0.4126 0.5109 -0.0579 0.0452 0.1549 330 GLU A N 1254 C CA . GLU A 248 ? 0.7337 0.5309 0.6236 -0.0638 0.0511 0.1634 330 GLU A CA 1255 C C . GLU A 248 ? 0.7132 0.5149 0.6025 -0.0627 0.0556 0.1567 330 GLU A C 1256 O O . GLU A 248 ? 0.6490 0.4567 0.5457 -0.0684 0.0597 0.1597 330 GLU A O 1257 C CB . GLU A 248 ? 0.8838 0.6770 0.7508 -0.0615 0.0589 0.1709 330 GLU A CB 1258 C CG . GLU A 248 ? 1.0088 0.8069 0.8748 -0.0666 0.0679 0.1785 330 GLU A CG 1259 C CD . GLU A 248 ? 1.1733 0.9685 1.0204 -0.0636 0.0755 0.1868 330 GLU A CD 1260 O OE1 . GLU A 248 ? 1.2276 1.0275 1.0696 -0.0628 0.0868 0.1910 330 GLU A OE1 1261 O OE2 . GLU A 248 ? 1.1954 0.9843 1.0337 -0.0613 0.0709 0.1890 330 GLU A OE2 1262 N N . ARG A 249 ? 0.7277 0.5244 0.6054 -0.0557 0.0554 0.1464 331 ARG A N 1263 C CA . ARG A 249 ? 0.7085 0.5086 0.5850 -0.0533 0.0597 0.1397 331 ARG A CA 1264 C C . ARG A 249 ? 0.7880 0.5956 0.6899 -0.0585 0.0531 0.1361 331 ARG A C 1265 O O . ARG A 249 ? 0.7660 0.5807 0.6746 -0.0605 0.0577 0.1360 331 ARG A O 1266 C CB . ARG A 249 ? 0.5586 0.3485 0.4135 -0.0458 0.0593 0.1288 331 ARG A CB 1267 C CG . ARG A 249 ? 0.5674 0.3479 0.3954 -0.0408 0.0632 0.1304 331 ARG A CG 1268 C CD . ARG A 249 ? 0.5258 0.2955 0.3312 -0.0347 0.0627 0.1187 331 ARG A CD 1269 N NE . ARG A 249 ? 0.6380 0.3977 0.4173 -0.0305 0.0647 0.1192 331 ARG A NE 1270 C CZ . ARG A 249 ? 0.6818 0.4306 0.4373 -0.0252 0.0652 0.1103 331 ARG A CZ 1271 N NH1 . ARG A 249 ? 0.7104 0.4565 0.4651 -0.0234 0.0642 0.1004 331 ARG A NH1 1272 N NH2 . ARG A 249 ? 0.6845 0.4246 0.4171 -0.0219 0.0664 0.1111 331 ARG A NH2 1273 N N . ILE A 250 ? 0.8094 0.6157 0.7256 -0.0596 0.0438 0.1326 332 ILE A N 1274 C CA . ILE A 250 ? 0.7612 0.5752 0.7035 -0.0625 0.0381 0.1278 332 ILE A CA 1275 C C . ILE A 250 ? 0.7379 0.5605 0.6921 -0.0721 0.0356 0.1328 332 ILE A C 1276 O O . ILE A 250 ? 0.7397 0.5605 0.6898 -0.0790 0.0346 0.1263 332 ILE A O 1277 C CB . ILE A 250 ? 0.7676 0.5757 0.7183 -0.0589 0.0336 0.1194 332 ILE A CB 1278 C CG1 . ILE A 250 ? 0.7004 0.4985 0.6265 -0.0544 0.0291 0.1102 332 ILE A CG1 1279 C CG2 . ILE A 250 ? 0.7760 0.5890 0.7464 -0.0590 0.0330 0.1088 332 ILE A CG2 1280 C CD1 . ILE A 250 ? 0.6248 0.4235 0.5429 -0.0522 0.0288 0.1016 332 ILE A CD1 1281 N N . LEU A 251 ? 0.6860 0.5042 0.6342 -0.0767 0.0347 0.1396 333 LEU A N 1282 C CA . LEU A 251 ? 0.7514 0.5499 0.6786 -0.0876 0.0430 0.1353 333 LEU A CA 1283 C C . LEU A 251 ? 0.7075 0.5181 0.6419 -0.0882 0.0545 0.1444 333 LEU A C 1284 O O . LEU A 251 ? 0.6693 0.4854 0.6182 -0.0925 0.0609 0.1449 333 LEU A O 1285 C CB . LEU A 251 ? 0.8088 0.5962 0.7257 -0.0895 0.0451 0.1409 333 LEU A CB 1286 C CG . LEU A 251 ? 0.7720 0.5389 0.6849 -0.0780 0.0557 0.1295 333 LEU A CG 1287 C CD1 . LEU A 251 ? 0.7400 0.4976 0.6427 -0.0814 0.0558 0.1378 333 LEU A CD1 1288 C CD2 . LEU A 251 ? 0.7448 0.5191 0.6862 -0.0791 0.0538 0.1237 333 LEU A CD2 1289 N N . ALA A 252 ? 0.7500 0.5671 0.6768 -0.0818 0.0595 0.1510 334 ALA A N 1290 C CA . ALA A 252 ? 0.8066 0.6355 0.7359 -0.0776 0.0734 0.1551 334 ALA A CA 1291 C C . ALA A 252 ? 0.7234 0.5618 0.6677 -0.0772 0.0743 0.1486 334 ALA A C 1292 O O . ALA A 252 ? 0.6970 0.5481 0.6560 -0.0785 0.0825 0.1521 334 ALA A O 1293 C CB . ALA A 252 ? 0.8736 0.7021 0.7843 -0.0678 0.0806 0.1573 334 ALA A CB 1294 N N . VAL A 253 ? 0.6703 0.5044 0.6131 -0.0751 0.0656 0.1399 335 VAL A N 1295 C CA . VAL A 253 ? 0.6269 0.4688 0.5826 -0.0745 0.0653 0.1331 335 VAL A CA 1296 C C . VAL A 253 ? 0.6409 0.4848 0.6142 -0.0828 0.0612 0.1296 335 VAL A C 1297 O O . VAL A 253 ? 0.6310 0.4891 0.6231 -0.0836 0.0654 0.1294 335 VAL A O 1298 C CB . VAL A 253 ? 0.5160 0.3524 0.4658 -0.0694 0.0573 0.1244 335 VAL A CB 1299 C CG1 . VAL A 253 ? 0.4884 0.3321 0.4509 -0.0694 0.0565 0.1174 335 VAL A CG1 1300 C CG2 . VAL A 253 ? 0.5036 0.3358 0.4337 -0.0594 0.0650 0.1247 335 VAL A CG2 1301 N N . LEU A 254 ? 0.5840 0.4143 0.5519 -0.0876 0.0543 0.1263 336 LEU A N 1302 C CA . LEU A 254 ? 0.5898 0.4222 0.5759 -0.0928 0.0528 0.1219 336 LEU A CA 1303 C C . LEU A 254 ? 0.7893 0.6364 0.7936 -0.0971 0.0600 0.1316 336 LEU A C 1304 O O . LEU A 254 ? 0.9094 0.7679 0.9359 -0.1013 0.0585 0.1296 336 LEU A O 1305 C CB . LEU A 254 ? 0.5027 0.3179 0.4803 -0.0933 0.0488 0.1168 336 LEU A CB 1306 C CG . LEU A 254 ? 0.4776 0.2861 0.4502 -0.0854 0.0440 0.1043 336 LEU A CG 1307 C CD1 . LEU A 254 ? 0.4519 0.2520 0.4266 -0.0824 0.0430 0.1023 336 LEU A CD1 1308 C CD2 . LEU A 254 ? 0.4544 0.2723 0.4438 -0.0866 0.0396 0.0960 336 LEU A CD2 1309 N N . GLU A 255 ? 0.7603 0.6080 0.7556 -0.0959 0.0675 0.1419 337 GLU A N 1310 C CA . GLU A 255 ? 0.7992 0.6612 0.8109 -0.0993 0.0758 0.1514 337 GLU A CA 1311 C C . GLU A 255 ? 0.8694 0.7519 0.8974 -0.0966 0.0823 0.1536 337 GLU A C 1312 O O . GLU A 255 ? 0.9754 0.8730 1.0254 -0.1008 0.0854 0.1575 337 GLU A O 1313 C CB . GLU A 255 ? 0.9176 0.7748 0.9139 -0.0976 0.0830 0.1616 337 GLU A CB 1314 C CG . GLU A 255 ? 1.0514 0.8914 1.0364 -0.1014 0.0783 0.1625 337 GLU A CG 1315 C CD . GLU A 255 ? 1.0664 0.9036 1.0367 -0.0995 0.0854 0.1732 337 GLU A CD 1316 O OE1 . GLU A 255 ? 1.0260 0.8490 0.9847 -0.1018 0.0821 0.1752 337 GLU A OE1 1317 O OE2 . GLU A 255 ? 1.0351 0.8845 1.0052 -0.0950 0.0949 0.1794 337 GLU A OE2 1318 N N . TRP A 256 ? 0.8524 0.7355 0.8696 -0.0893 0.0845 0.1509 338 TRP A N 1319 C CA . TRP A 256 ? 0.7744 0.6755 0.8044 -0.0849 0.0916 0.1524 338 TRP A CA 1320 C C . TRP A 256 ? 0.7325 0.6434 0.7842 -0.0886 0.0847 0.1455 338 TRP A C 1321 O O . TRP A 256 ? 0.8210 0.7508 0.8921 -0.0885 0.0894 0.1485 338 TRP A O 1322 C CB . TRP A 256 ? 0.7483 0.6448 0.7588 -0.0751 0.0959 0.1503 338 TRP A CB 1323 C CG . TRP A 256 ? 0.7381 0.6262 0.7265 -0.0703 0.1024 0.1560 338 TRP A CG 1324 C CD1 . TRP A 256 ? 0.6740 0.5624 0.6607 -0.0731 0.1072 0.1646 338 TRP A CD1 1325 C CD2 . TRP A 256 ? 0.7358 0.6139 0.7002 -0.0617 0.1046 0.1531 338 TRP A CD2 1326 N NE1 . TRP A 256 ? 0.6181 0.4980 0.5813 -0.0667 0.1121 0.1673 338 TRP A NE1 1327 C CE2 . TRP A 256 ? 0.6571 0.5306 0.6063 -0.0596 0.1105 0.1600 338 TRP A CE2 1328 C CE3 . TRP A 256 ? 0.6655 0.5379 0.6199 -0.0554 0.1022 0.1448 338 TRP A CE3 1329 C CZ2 . TRP A 256 ? 0.6429 0.5067 0.5673 -0.0513 0.1139 0.1584 338 TRP A CZ2 1330 C CZ3 . TRP A 256 ? 0.5666 0.4286 0.4963 -0.0473 0.1058 0.1429 338 TRP A CZ3 1331 C CH2 . TRP A 256 ? 0.6159 0.4738 0.5308 -0.0453 0.1115 0.1494 338 TRP A CH2 1332 N N . LEU A 257 ? 0.6374 0.5358 0.6853 -0.0914 0.0734 0.1360 339 LEU A N 1333 C CA . LEU A 257 ? 0.6593 0.5654 0.7255 -0.0947 0.0655 0.1279 339 LEU A CA 1334 C C . LEU A 257 ? 0.7548 0.6736 0.8449 -0.1024 0.0643 0.1307 339 LEU A C 1335 O O . LEU A 257 ? 0.7658 0.6956 0.8740 -0.1051 0.0587 0.1256 339 LEU A O 1336 C CB . LEU A 257 ? 0.5917 0.4805 0.6461 -0.0951 0.0546 0.1168 339 LEU A CB 1337 C CG . LEU A 257 ? 0.4321 0.3181 0.4800 -0.0900 0.0501 0.1080 339 LEU A CG 1338 C CD1 . LEU A 257 ? 0.4031 0.2876 0.4358 -0.0827 0.0578 0.1126 339 LEU A CD1 1339 C CD2 . LEU A 257 ? 0.4106 0.2793 0.4452 -0.0898 0.0409 0.0976 339 LEU A CD2 1340 N N . GLN A 258 ? 0.8400 0.7571 0.9296 -0.1058 0.0691 0.1389 340 GLN A N 1341 C CA . GLN A 258 ? 0.8303 0.7571 0.9407 -0.1136 0.0679 0.1420 340 GLN A CA 1342 C C . GLN A 258 ? 0.8561 0.8036 0.9826 -0.1139 0.0778 0.1523 340 GLN A C 1343 O O . GLN A 258 ? 0.8650 0.8227 1.0103 -0.1206 0.0774 0.1558 340 GLN A O 1344 C CB . GLN A 258 ? 0.7614 0.6722 0.8623 -0.1177 0.0662 0.1440 340 GLN A CB 1345 C CG . GLN A 258 ? 0.7031 0.5927 0.7832 -0.1150 0.0592 0.1355 340 GLN A CG 1346 C CD . GLN A 258 ? 0.7931 0.6688 0.8692 -0.1193 0.0556 0.1351 340 GLN A CD 1347 O OE1 . GLN A 258 ? 0.7983 0.6711 0.8824 -0.1224 0.0479 0.1274 340 GLN A OE1 1348 N NE2 . GLN A 258 ? 0.9171 0.7841 0.9800 -0.1190 0.0615 0.1436 340 GLN A NE2 1349 N N . LEU A 259 ? 0.8409 0.7944 0.9595 -0.1063 0.0868 0.1570 341 LEU A N 1350 C CA . LEU A 259 ? 0.7726 0.7465 0.9047 -0.1044 0.0974 0.1664 341 LEU A CA 1351 C C . LEU A 259 ? 0.8501 0.8445 1.0088 -0.1076 0.0939 0.1642 341 LEU A C 1352 O O . LEU A 259 ? 0.9312 0.9244 1.0935 -0.1080 0.0852 0.1550 341 LEU A O 1353 C CB . LEU A 259 ? 0.6869 0.6615 0.8023 -0.0936 0.1074 0.1696 341 LEU A CB 1354 C CG . LEU A 259 ? 0.7203 0.6879 0.8180 -0.0901 0.1169 0.1779 341 LEU A CG 1355 C CD1 . LEU A 259 ? 0.7950 0.7405 0.8758 -0.0943 0.1106 0.1760 341 LEU A CD1 1356 C CD2 . LEU A 259 ? 0.6977 0.6643 0.7768 -0.0786 0.1257 0.1785 341 LEU A CD2 1357 N N . PRO A 260 ? 0.8039 0.8174 0.9811 -0.1099 0.1003 0.1725 342 PRO A N 1358 C CA . PRO A 260 ? 0.7051 0.7401 0.9078 -0.1129 0.0974 0.1713 342 PRO A CA 1359 C C . PRO A 260 ? 0.7037 0.7465 0.9062 -0.1053 0.0973 0.1665 342 PRO A C 1360 O O . PRO A 260 ? 0.7645 0.8017 0.9497 -0.0963 0.1043 0.1676 342 PRO A O 1361 C CB . PRO A 260 ? 0.7666 0.8195 0.9819 -0.1130 0.1080 0.1830 342 PRO A CB 1362 C CG . PRO A 260 ? 0.7961 0.8346 0.9984 -0.1154 0.1120 0.1887 342 PRO A CG 1363 C CD . PRO A 260 ? 0.8203 0.8361 0.9951 -0.1101 0.1103 0.1834 342 PRO A CD 1364 N N . SER A 261 ? 0.7054 0.7608 0.9264 -0.1088 0.0895 0.1610 343 SER A N 1365 C CA . SER A 261 ? 0.7201 0.7825 0.9423 -0.1025 0.0877 0.1555 343 SER A CA 1366 C C . SER A 261 ? 0.7878 0.8633 1.0078 -0.0921 0.1003 0.1624 343 SER A C 1367 O O . SER A 261 ? 0.7956 0.8701 1.0078 -0.0844 0.1015 0.1584 343 SER A O 1368 C CB . SER A 261 ? 0.6675 0.7445 0.9118 -0.1085 0.0778 0.1499 343 SER A CB 1369 O OG . SER A 261 ? 0.6084 0.6939 0.8548 -0.1021 0.0765 0.1453 343 SER A OG 1370 N N . HIS A 262 ? 0.8033 0.8906 1.0297 -0.0913 0.1099 0.1723 344 HIS A N 1371 C CA . HIS A 262 ? 0.9103 1.0104 1.1342 -0.0805 0.1223 0.1786 344 HIS A CA 1372 C C . HIS A 262 ? 0.8886 0.9721 1.0853 -0.0724 0.1319 0.1815 344 HIS A C 1373 O O . HIS A 262 ? 0.8312 0.9179 1.0179 -0.0613 0.1410 0.1832 344 HIS A O 1374 C CB . HIS A 262 ? 1.0719 1.1951 1.3170 -0.0827 0.1278 0.1876 344 HIS A CB 1375 C CG . HIS A 262 ? 1.1676 1.3076 1.4385 -0.0909 0.1183 0.1848 344 HIS A CG 1376 N ND1 . HIS A 262 ? 1.1500 1.2876 1.4247 -0.0935 0.1069 0.1749 344 HIS A ND1 1377 C CD2 . HIS A 262 ? 1.2017 1.3608 1.4948 -0.0969 0.1183 0.1903 344 HIS A CD2 1378 C CE1 . HIS A 262 ? 1.1618 1.3159 1.4589 -0.1007 0.1001 0.1738 344 HIS A CE1 1379 N NE2 . HIS A 262 ? 1.2117 1.3792 1.5207 -0.1031 0.1067 0.1831 344 HIS A NE2 1380 N N . GLU A 263 ? 0.9179 0.9829 1.1016 -0.0775 0.1294 0.1815 345 GLU A N 1381 C CA . GLU A 263 ? 0.8635 0.9123 1.0206 -0.0708 0.1374 0.1840 345 GLU A CA 1382 C C . GLU A 263 ? 0.7647 0.7885 0.8999 -0.0712 0.1300 0.1756 345 GLU A C 1383 O O . GLU A 263 ? 0.7489 0.7565 0.8610 -0.0678 0.1337 0.1767 345 GLU A O 1384 C CB . GLU A 263 ? 0.8188 0.8676 0.9764 -0.0752 0.1427 0.1929 345 GLU A CB 1385 N N . ARG A 264 ? 0.6280 0.6492 0.7704 -0.0751 0.1191 0.1672 346 ARG A N 1386 C CA . ARG A 264 ? 0.5543 0.5529 0.6781 -0.0757 0.1108 0.1586 346 ARG A CA 1387 C C . ARG A 264 ? 0.6382 0.6329 0.7494 -0.0662 0.1130 0.1532 346 ARG A C 1388 O O . ARG A 264 ? 0.5920 0.6009 0.7174 -0.0638 0.1127 0.1512 346 ARG A O 1389 C CB . ARG A 264 ? 0.5025 0.4980 0.6396 -0.0856 0.0970 0.1516 346 ARG A CB 1390 C CG . ARG A 264 ? 0.4349 0.4078 0.5540 -0.0862 0.0876 0.1422 346 ARG A CG 1391 C CD . ARG A 264 ? 0.4802 0.4526 0.6134 -0.0944 0.0745 0.1343 346 ARG A CD 1392 N NE . ARG A 264 ? 0.6245 0.6150 0.7777 -0.0944 0.0717 0.1312 346 ARG A NE 1393 C CZ . ARG A 264 ? 0.7191 0.7229 0.8941 -0.1013 0.0660 0.1302 346 ARG A CZ 1394 N NH1 . ARG A 264 ? 0.7088 0.7090 0.8887 -0.1088 0.0632 0.1320 346 ARG A NH1 1395 N NH2 . ARG A 264 ? 0.6767 0.6970 0.8678 -0.1006 0.0632 0.1273 346 ARG A NH2 1396 N N . PRO A 265 ? 0.7077 0.6829 0.7917 -0.0607 0.1150 0.1507 347 PRO A N 1397 C CA . PRO A 265 ? 0.7102 0.6779 0.7785 -0.0515 0.1171 0.1448 347 PRO A CA 1398 C C . PRO A 265 ? 0.6708 0.6344 0.7458 -0.0548 0.1058 0.1355 347 PRO A C 1399 O O . PRO A 265 ? 0.5043 0.4635 0.5876 -0.0637 0.0948 0.1318 347 PRO A O 1400 C CB . PRO A 265 ? 0.5969 0.5426 0.6349 -0.0477 0.1187 0.1434 347 PRO A CB 1401 C CG . PRO A 265 ? 0.5593 0.5018 0.5974 -0.0545 0.1177 0.1493 347 PRO A CG 1402 C CD . PRO A 265 ? 0.6427 0.6019 0.7090 -0.0630 0.1151 0.1534 347 PRO A CD 1403 N N . HIS A 266 ? 0.8236 0.7885 0.8944 -0.0470 0.1087 0.1314 348 HIS A N 1404 C CA . HIS A 266 ? 0.8614 0.8236 0.9384 -0.0489 0.0991 0.1229 348 HIS A CA 1405 C C . HIS A 266 ? 0.7114 0.6503 0.7615 -0.0438 0.0969 0.1153 348 HIS A C 1406 O O . HIS A 266 ? 0.7141 0.6447 0.7642 -0.0462 0.0870 0.1070 348 HIS A O 1407 C CB . HIS A 266 ? 0.9771 0.9598 1.0718 -0.0442 0.1034 0.1239 348 HIS A CB 1408 C CG . HIS A 266 ? 1.0745 1.0615 1.1847 -0.0489 0.0923 0.1167 348 HIS A CG 1409 N ND1 . HIS A 266 ? 1.1322 1.1224 1.2428 -0.0424 0.0936 0.1127 348 HIS A ND1 1410 C CD2 . HIS A 266 ? 1.1196 1.1084 1.2447 -0.0589 0.0795 0.1123 348 HIS A CD2 1411 C CE1 . HIS A 266 ? 1.1349 1.1293 1.2608 -0.0486 0.0819 0.1064 348 HIS A CE1 1412 N NE2 . HIS A 266 ? 1.1781 1.1714 1.3122 -0.0584 0.0728 0.1054 348 HIS A NE2 1413 N N . PHE A 267 ? 0.5578 0.4866 0.5849 -0.0366 0.1055 0.1174 349 PHE A N 1414 C CA . PHE A 267 ? 0.4317 0.3382 0.4313 -0.0318 0.1032 0.1100 349 PHE A CA 1415 C C . PHE A 267 ? 0.6093 0.5023 0.5906 -0.0335 0.1025 0.1122 349 PHE A C 1416 O O . PHE A 267 ? 0.8109 0.7100 0.7907 -0.0320 0.1108 0.1200 349 PHE A O 1417 C CB . PHE A 267 ? 0.3525 0.2578 0.3379 -0.0199 0.1134 0.1081 349 PHE A CB 1418 C CG . PHE A 267 ? 0.4847 0.3675 0.4400 -0.0145 0.1123 0.1006 349 PHE A CG 1419 C CD1 . PHE A 267 ? 0.5465 0.4157 0.4948 -0.0163 0.1022 0.0910 349 PHE A CD1 1420 C CD2 . PHE A 267 ? 0.4872 0.3630 0.4217 -0.0078 0.1206 0.1025 349 PHE A CD2 1421 C CE1 . PHE A 267 ? 0.4989 0.3489 0.4207 -0.0118 0.1003 0.0836 349 PHE A CE1 1422 C CE2 . PHE A 267 ? 0.4668 0.3227 0.3743 -0.0034 0.1188 0.0948 349 PHE A CE2 1423 C CZ . PHE A 267 ? 0.5066 0.3498 0.4080 -0.0056 0.1086 0.0854 349 PHE A CZ 1424 N N . TYR A 268 ? 0.4991 0.3749 0.4673 -0.0363 0.0922 0.1055 350 TYR A N 1425 C CA . TYR A 268 ? 0.4968 0.3609 0.4496 -0.0384 0.0896 0.1076 350 TYR A CA 1426 C C . TYR A 268 ? 0.4960 0.3418 0.4236 -0.0333 0.0858 0.0994 350 TYR A C 1427 O O . TYR A 268 ? 0.5689 0.4092 0.4945 -0.0318 0.0800 0.0906 350 TYR A O 1428 C CB . TYR A 268 ? 0.5772 0.4413 0.5438 -0.0491 0.0783 0.1087 350 TYR A CB 1429 C CG . TYR A 268 ? 0.5101 0.3908 0.5007 -0.0554 0.0809 0.1154 350 TYR A CG 1430 C CD1 . TYR A 268 ? 0.4996 0.3929 0.5121 -0.0583 0.0779 0.1126 350 TYR A CD1 1431 C CD2 . TYR A 268 ? 0.5224 0.4070 0.5144 -0.0583 0.0862 0.1243 350 TYR A CD2 1432 C CE1 . TYR A 268 ? 0.5799 0.4899 0.6157 -0.0640 0.0796 0.1181 350 TYR A CE1 1433 C CE2 . TYR A 268 ? 0.5524 0.4526 0.5671 -0.0640 0.0884 0.1299 350 TYR A CE2 1434 C CZ . TYR A 268 ? 0.5827 0.4959 0.6195 -0.0669 0.0849 0.1266 350 TYR A CZ 1435 O OH . TYR A 268 ? 0.6272 0.5572 0.6877 -0.0727 0.0862 0.1317 350 TYR A OH 1436 N N . THR A 269 ? 0.5099 0.3469 0.4186 -0.0307 0.0890 0.1019 351 THR A N 1437 C CA . THR A 269 ? 0.4536 0.2738 0.3387 -0.0268 0.0846 0.0939 351 THR A CA 1438 C C . THR A 269 ? 0.4259 0.2389 0.3046 -0.0311 0.0780 0.0964 351 THR A C 1439 O O . THR A 269 ? 0.4314 0.2501 0.3164 -0.0346 0.0808 0.1057 351 THR A O 1440 C CB . THR A 269 ? 0.5114 0.3252 0.3737 -0.0171 0.0957 0.0922 351 THR A CB 1441 O OG1 . THR A 269 ? 0.4714 0.2864 0.3254 -0.0157 0.1029 0.1002 351 THR A OG1 1442 C CG2 . THR A 269 ? 0.3818 0.2054 0.2520 -0.0116 0.1046 0.0923 351 THR A CG2 1443 N N . LEU A 270 ? 0.5028 0.3037 0.3692 -0.0305 0.0692 0.0881 352 LEU A N 1444 C CA . LEU A 270 ? 0.6146 0.4083 0.4731 -0.0329 0.0632 0.0896 352 LEU A CA 1445 C C . LEU A 270 ? 0.7133 0.4920 0.5459 -0.0281 0.0609 0.0807 352 LEU A C 1446 O O . LEU A 270 ? 0.7663 0.5405 0.5951 -0.0263 0.0567 0.0711 352 LEU A O 1447 C CB . LEU A 270 ? 0.6575 0.4557 0.5370 -0.0397 0.0512 0.0889 352 LEU A CB 1448 C CG . LEU A 270 ? 0.7931 0.6009 0.6923 -0.0460 0.0512 0.0997 352 LEU A CG 1449 C CD1 . LEU A 270 ? 0.8820 0.6940 0.8034 -0.0510 0.0397 0.0971 352 LEU A CD1 1450 C CD2 . LEU A 270 ? 0.7963 0.5993 0.6821 -0.0455 0.0554 0.1077 352 LEU A CD2 1451 N N . TYR A 271 ? 0.6204 0.3915 0.4350 -0.0263 0.0634 0.0841 353 TYR A N 1452 C CA . TYR A 271 ? 0.5786 0.3347 0.3670 -0.0223 0.0611 0.0760 353 TYR A CA 1453 C C . TYR A 271 ? 0.6300 0.3798 0.4098 -0.0247 0.0546 0.0780 353 TYR A C 1454 O O . TYR A 271 ? 0.6820 0.4357 0.4645 -0.0261 0.0579 0.0877 353 TYR A O 1455 C CB . TYR A 271 ? 0.4664 0.2170 0.2342 -0.0151 0.0728 0.0759 353 TYR A CB 1456 C CG . TYR A 271 ? 0.5238 0.2579 0.2633 -0.0115 0.0708 0.0687 353 TYR A CG 1457 C CD1 . TYR A 271 ? 0.5934 0.3169 0.3223 -0.0102 0.0656 0.0572 353 TYR A CD1 1458 C CD2 . TYR A 271 ? 0.5570 0.2859 0.2802 -0.0098 0.0738 0.0735 353 TYR A CD2 1459 C CE1 . TYR A 271 ? 0.6987 0.4064 0.4021 -0.0078 0.0631 0.0504 353 TYR A CE1 1460 C CE2 . TYR A 271 ? 0.6127 0.3265 0.3102 -0.0069 0.0713 0.0667 353 TYR A CE2 1461 C CZ . TYR A 271 ? 0.6871 0.3900 0.3750 -0.0062 0.0657 0.0551 353 TYR A CZ 1462 O OH . TYR A 271 ? 0.7625 0.4498 0.4257 -0.0042 0.0626 0.0483 353 TYR A OH 1463 N N . LEU A 272 ? 0.6559 0.3963 0.4255 -0.0251 0.0454 0.0689 354 LEU A N 1464 C CA . LEU A 272 ? 0.6928 0.4261 0.4519 -0.0267 0.0388 0.0696 354 LEU A CA 1465 C C . LEU A 272 ? 0.7022 0.4200 0.4328 -0.0233 0.0369 0.0609 354 LEU A C 1466 O O . LEU A 272 ? 0.5441 0.2569 0.2693 -0.0220 0.0350 0.0515 354 LEU A O 1467 C CB . LEU A 272 ? 0.6791 0.4180 0.4575 -0.0316 0.0273 0.0673 354 LEU A CB 1468 C CG . LEU A 272 ? 0.5996 0.3494 0.4018 -0.0356 0.0263 0.0769 354 LEU A CG 1469 C CD1 . LEU A 272 ? 0.5955 0.3569 0.4178 -0.0369 0.0329 0.0825 354 LEU A CD1 1470 C CD2 . LEU A 272 ? 0.6375 0.3907 0.4547 -0.0387 0.0151 0.0719 354 LEU A CD2 1471 N N . GLU A 273 ? 0.7331 0.4435 0.4459 -0.0220 0.0374 0.0642 355 GLU A N 1472 C CA . GLU A 273 ? 0.6676 0.3627 0.3529 -0.0192 0.0353 0.0565 355 GLU A CA 1473 C C . GLU A 273 ? 0.7083 0.3972 0.3915 -0.0228 0.0221 0.0483 355 GLU A C 1474 O O . GLU A 273 ? 0.7926 0.4686 0.4558 -0.0217 0.0184 0.0405 355 GLU A O 1475 C CB . GLU A 273 ? 0.6941 0.3846 0.3613 -0.0163 0.0402 0.0629 355 GLU A CB 1476 C CG . GLU A 273 ? 0.7876 0.4827 0.4517 -0.0116 0.0538 0.0693 355 GLU A CG 1477 C CD . GLU A 273 ? 0.7729 0.4831 0.4587 -0.0138 0.0588 0.0816 355 GLU A CD 1478 O OE1 . GLU A 273 ? 0.8116 0.5271 0.5130 -0.0188 0.0518 0.0857 355 GLU A OE1 1479 O OE2 . GLU A 273 ? 0.6733 0.3900 0.3610 -0.0107 0.0699 0.0871 355 GLU A OE2 1480 N N . GLU A 274 ? 0.7141 0.4128 0.4191 -0.0271 0.0150 0.0502 356 GLU A N 1481 C CA . GLU A 274 ? 0.7242 0.4205 0.4306 -0.0302 0.0026 0.0431 356 GLU A CA 1482 C C . GLU A 274 ? 0.7572 0.4593 0.4764 -0.0313 -0.0011 0.0347 356 GLU A C 1483 O O . GLU A 274 ? 0.8022 0.5143 0.5382 -0.0308 0.0043 0.0367 356 GLU A O 1484 C CB . GLU A 274 ? 0.6887 0.3932 0.4114 -0.0333 -0.0031 0.0497 356 GLU A CB 1485 C CG . GLU A 274 ? 0.7861 0.4847 0.4948 -0.0324 -0.0022 0.0572 356 GLU A CG 1486 C CD . GLU A 274 ? 0.8525 0.5385 0.5388 -0.0323 -0.0099 0.0510 356 GLU A CD 1487 O OE1 . GLU A 274 ? 0.8137 0.4893 0.4810 -0.0304 -0.0085 0.0440 356 GLU A OE1 1488 O OE2 . GLU A 274 ? 0.9107 0.5970 0.5992 -0.0341 -0.0173 0.0532 356 GLU A OE2 1489 N N . PRO A 275 ? 0.6933 0.3904 0.4050 -0.0327 -0.0103 0.0257 357 PRO A N 1490 C CA . PRO A 275 ? 0.6611 0.3459 0.3537 -0.0339 -0.0177 0.0229 357 PRO A CA 1491 C C . PRO A 275 ? 0.6735 0.3399 0.3384 -0.0316 -0.0150 0.0171 357 PRO A C 1492 O O . PRO A 275 ? 0.6168 0.2726 0.2693 -0.0334 -0.0231 0.0112 357 PRO A O 1493 C CB . PRO A 275 ? 0.5745 0.2671 0.2780 -0.0367 -0.0290 0.0164 357 PRO A CB 1494 C CG . PRO A 275 ? 0.5413 0.2441 0.2563 -0.0354 -0.0259 0.0123 357 PRO A CG 1495 C CD . PRO A 275 ? 0.5631 0.2709 0.2897 -0.0336 -0.0151 0.0189 357 PRO A CD 1496 N N . ASP A 276 ? 0.6991 0.3618 0.3565 -0.0276 -0.0039 0.0189 358 ASP A N 1497 C CA . ASP A 276 ? 0.7468 0.3928 0.3808 -0.0246 -0.0004 0.0140 358 ASP A CA 1498 C C . ASP A 276 ? 0.8379 0.4768 0.4556 -0.0239 -0.0020 0.0178 358 ASP A C 1499 O O . ASP A 276 ? 0.8828 0.5097 0.4866 -0.0243 -0.0069 0.0128 358 ASP A O 1500 C CB . ASP A 276 ? 0.7151 0.3615 0.3466 -0.0195 0.0127 0.0158 358 ASP A CB 1501 C CG . ASP A 276 ? 0.8274 0.4581 0.4384 -0.0157 0.0164 0.0109 358 ASP A CG 1502 O OD1 . ASP A 276 ? 0.9025 0.5245 0.5133 -0.0162 0.0138 0.0039 358 ASP A OD1 1503 O OD2 . ASP A 276 ? 0.8613 0.4893 0.4587 -0.0122 0.0220 0.0150 358 ASP A OD2 1504 N N . SER A 277 ? 0.7992 0.4469 0.4208 -0.0230 0.0020 0.0277 359 SER A N 1505 C CA . SER A 277 ? 0.8439 0.4876 0.4502 -0.0217 0.0014 0.0326 359 SER A CA 1506 C C . SER A 277 ? 0.9135 0.5526 0.5168 -0.0255 -0.0115 0.0294 359 SER A C 1507 O O . SER A 277 ? 0.9880 0.6181 0.5741 -0.0247 -0.0147 0.0267 359 SER A O 1508 C CB . SER A 277 ? 0.8006 0.4556 0.4158 -0.0207 0.0078 0.0448 359 SER A CB 1509 O OG . SER A 277 ? 0.8548 0.5151 0.4739 -0.0173 0.0200 0.0487 359 SER A OG 1510 N N . SER A 278 ? 0.8506 0.4976 0.4723 -0.0295 -0.0189 0.0298 360 SER A N 1511 C CA . SER A 278 ? 0.7908 0.4353 0.4128 -0.0329 -0.0311 0.0271 360 SER A CA 1512 C C . SER A 278 ? 0.8135 0.4474 0.4299 -0.0348 -0.0374 0.0166 360 SER A C 1513 O O . SER A 278 ? 0.6941 0.3227 0.3057 -0.0367 -0.0459 0.0145 360 SER A O 1514 C CB . SER A 278 ? 0.7360 0.3932 0.3814 -0.0359 -0.0366 0.0302 360 SER A CB 1515 O OG . SER A 278 ? 0.8081 0.4739 0.4619 -0.0346 -0.0310 0.0413 360 SER A OG 1516 N N . GLY A 279 ? 0.8395 0.4711 0.4589 -0.0341 -0.0327 0.0113 361 GLY A N 1517 C CA . GLY A 279 ? 0.7521 0.3731 0.3710 -0.0356 -0.0367 0.0043 361 GLY A CA 1518 C C . GLY A 279 ? 0.7237 0.3355 0.3261 -0.0331 -0.0348 0.0046 361 GLY A C 1519 O O . GLY A 279 ? 0.6271 0.2365 0.2311 -0.0347 -0.0413 0.0038 361 GLY A O 1520 N N . HIS A 280 ? 0.8442 0.4549 0.4324 -0.0288 -0.0256 0.0068 362 HIS A N 1521 C CA . HIS A 280 ? 0.8489 0.4526 0.4194 -0.0260 -0.0233 0.0058 362 HIS A CA 1522 C C . HIS A 280 ? 0.8201 0.4240 0.3817 -0.0275 -0.0313 0.0076 362 HIS A C 1523 O O . HIS A 280 ? 0.8667 0.4674 0.4232 -0.0284 -0.0365 0.0045 362 HIS A O 1524 C CB . HIS A 280 ? 0.8356 0.4388 0.3936 -0.0204 -0.0109 0.0084 362 HIS A CB 1525 C CG . HIS A 280 ? 0.8720 0.4733 0.4342 -0.0176 -0.0024 0.0057 362 HIS A CG 1526 N ND1 . HIS A 280 ? 0.7772 0.3719 0.3353 -0.0163 -0.0015 0.0012 362 HIS A ND1 1527 C CD2 . HIS A 280 ? 0.9170 0.5242 0.4886 -0.0156 0.0057 0.0076 362 HIS A CD2 1528 C CE1 . HIS A 280 ? 0.8073 0.4024 0.3713 -0.0134 0.0067 0.0005 362 HIS A CE1 1529 N NE2 . HIS A 280 ? 0.9131 0.5155 0.4849 -0.0129 0.0112 0.0038 362 HIS A NE2 1530 N N . SER A 281 ? 0.7757 0.3854 0.3370 -0.0276 -0.0321 0.0134 363 SER A N 1531 C CA . SER A 281 ? 0.8053 0.4158 0.3559 -0.0277 -0.0378 0.0167 363 SER A CA 1532 C C . SER A 281 ? 0.8224 0.4345 0.3823 -0.0321 -0.0504 0.0146 363 SER A C 1533 O O . SER A 281 ? 0.9379 0.5500 0.4883 -0.0323 -0.0561 0.0154 363 SER A O 1534 C CB . SER A 281 ? 0.6161 0.2336 0.1652 -0.0257 -0.0334 0.0261 363 SER A CB 1535 O OG . SER A 281 ? 0.8999 0.5253 0.4686 -0.0285 -0.0365 0.0294 363 SER A OG 1536 N N . HIS A 282 ? 0.6572 0.2717 0.2360 -0.0354 -0.0547 0.0123 364 HIS A N 1537 C CA . HIS A 282 ? 0.7043 0.3220 0.2946 -0.0391 -0.0658 0.0116 364 HIS A CA 1538 C C . HIS A 282 ? 0.8921 0.5099 0.4981 -0.0413 -0.0689 0.0079 364 HIS A C 1539 O O . HIS A 282 ? 0.9037 0.5260 0.5195 -0.0433 -0.0769 0.0081 364 HIS A O 1540 C CB . HIS A 282 ? 0.6786 0.3035 0.2798 -0.0405 -0.0696 0.0161 364 HIS A CB 1541 C CG . HIS A 282 ? 0.7187 0.3469 0.3084 -0.0380 -0.0676 0.0236 364 HIS A CG 1542 N ND1 . HIS A 282 ? 0.6631 0.2931 0.2465 -0.0347 -0.0575 0.0291 364 HIS A ND1 1543 C CD2 . HIS A 282 ? 0.7463 0.3773 0.3310 -0.0378 -0.0739 0.0278 364 HIS A CD2 1544 C CE1 . HIS A 282 ? 0.7206 0.3539 0.2959 -0.0327 -0.0574 0.0368 364 HIS A CE1 1545 N NE2 . HIS A 282 ? 0.8075 0.4411 0.3826 -0.0345 -0.0675 0.0360 364 HIS A NE2 1546 N N . GLY A 283 ? 0.9017 0.5172 0.5114 -0.0401 -0.0619 0.0062 365 GLY A N 1547 C CA . GLY A 283 ? 0.7726 0.3934 0.3981 -0.0405 -0.0632 0.0064 365 GLY A CA 1548 C C . GLY A 283 ? 0.8375 0.4827 0.4915 -0.0397 -0.0622 0.0074 365 GLY A C 1549 O O . GLY A 283 ? 0.8027 0.4524 0.4629 -0.0409 -0.0643 0.0077 365 GLY A O 1550 N N . PRO A 284 ? 0.7870 0.4488 0.4574 -0.0375 -0.0592 0.0077 366 PRO A N 1551 C CA . PRO A 284 ? 0.6157 0.3028 0.3116 -0.0358 -0.0579 0.0088 366 PRO A CA 1552 C C . PRO A 284 ? 0.6940 0.3945 0.4062 -0.0365 -0.0654 0.0106 366 PRO A C 1553 O O . PRO A 284 ? 0.7992 0.5150 0.5254 -0.0356 -0.0656 0.0116 366 PRO A O 1554 C CB . PRO A 284 ? 0.4158 0.1125 0.1197 -0.0338 -0.0553 0.0079 366 PRO A CB 1555 C CG . PRO A 284 ? 0.5373 0.2129 0.2186 -0.0341 -0.0520 0.0065 366 PRO A CG 1556 C CD . PRO A 284 ? 0.6953 0.3510 0.3576 -0.0366 -0.0571 0.0067 366 PRO A CD 1557 N N . VAL A 285 ? 0.6712 0.3655 0.3797 -0.0379 -0.0717 0.0109 367 VAL A N 1558 C CA . VAL A 285 ? 0.5934 0.2976 0.3157 -0.0384 -0.0785 0.0124 367 VAL A CA 1559 C C . VAL A 285 ? 0.6652 0.3511 0.3719 -0.0416 -0.0840 0.0127 367 VAL A C 1560 O O . VAL A 285 ? 0.7352 0.4070 0.4279 -0.0436 -0.0894 0.0126 367 VAL A O 1561 C CB . VAL A 285 ? 0.5108 0.2226 0.2423 -0.0378 -0.0823 0.0124 367 VAL A CB 1562 C CG1 . VAL A 285 ? 0.3738 0.1061 0.1245 -0.0347 -0.0778 0.0117 367 VAL A CG1 1563 C CG2 . VAL A 285 ? 0.7452 0.4378 0.4561 -0.0399 -0.0841 0.0114 367 VAL A CG2 1564 N N . SER A 286 ? 0.6913 0.3765 0.3987 -0.0427 -0.0834 0.0123 368 SER A N 1565 C CA . SER A 286 ? 0.8055 0.4729 0.4945 -0.0461 -0.0893 0.0118 368 SER A CA 1566 C C . SER A 286 ? 0.7716 0.4479 0.4699 -0.0473 -0.0919 0.0116 368 SER A C 1567 O O . SER A 286 ? 0.7823 0.4782 0.4987 -0.0457 -0.0890 0.0101 368 SER A O 1568 C CB . SER A 286 ? 0.9278 0.5709 0.5863 -0.0472 -0.0856 0.0109 368 SER A CB 1569 O OG . SER A 286 ? 0.9421 0.5877 0.6001 -0.0462 -0.0779 0.0095 368 SER A OG 1570 N N . SER A 287 ? 0.7423 0.4031 0.4247 -0.0502 -0.0985 0.0137 369 SER A N 1571 C CA . SER A 287 ? 0.6887 0.3559 0.3776 -0.0510 -0.1012 0.0166 369 SER A CA 1572 C C . SER A 287 ? 0.6698 0.3411 0.3565 -0.0484 -0.0906 0.0220 369 SER A C 1573 O O . SER A 287 ? 0.6910 0.3746 0.3942 -0.0474 -0.0875 0.0264 369 SER A O 1574 C CB . SER A 287 ? 0.7508 0.4184 0.4381 -0.0500 -0.1060 0.0235 369 SER A CB 1575 O OG . SER A 287 ? 0.7162 0.3825 0.4103 -0.0520 -0.1150 0.0200 369 SER A OG 1576 N N . GLU A 288 ? 0.7537 0.4148 0.4225 -0.0469 -0.0841 0.0225 370 GLU A N 1577 C CA . GLU A 288 ? 0.8148 0.4786 0.4812 -0.0441 -0.0731 0.0287 370 GLU A CA 1578 C C . GLU A 288 ? 0.7527 0.4230 0.4300 -0.0442 -0.0675 0.0248 370 GLU A C 1579 O O . GLU A 288 ? 0.6093 0.2879 0.2975 -0.0427 -0.0597 0.0311 370 GLU A O 1580 C CB . GLU A 288 ? 0.9001 0.5533 0.5431 -0.0416 -0.0675 0.0306 370 GLU A CB 1581 C CG . GLU A 288 ? 0.9873 0.6394 0.6199 -0.0401 -0.0702 0.0376 370 GLU A CG 1582 C CD . GLU A 288 ? 0.9454 0.5941 0.5757 -0.0421 -0.0813 0.0335 370 GLU A CD 1583 O OE1 . GLU A 288 ? 0.9732 0.6169 0.6051 -0.0443 -0.0850 0.0253 370 GLU A OE1 1584 O OE2 . GLU A 288 ? 0.7762 0.4278 0.4047 -0.0412 -0.0856 0.0393 370 GLU A OE2 1585 N N . VAL A 289 ? 0.8088 0.4761 0.4846 -0.0458 -0.0712 0.0152 371 VAL A N 1586 C CA . VAL A 289 ? 0.7655 0.4429 0.4516 -0.0450 -0.0664 0.0119 371 VAL A CA 1587 C C . VAL A 289 ? 0.6891 0.3877 0.4020 -0.0449 -0.0693 0.0145 371 VAL A C 1588 O O . VAL A 289 ? 0.7430 0.4535 0.4727 -0.0434 -0.0625 0.0171 371 VAL A O 1589 C CB . VAL A 289 ? 0.7033 0.3888 0.3953 -0.0427 -0.0646 0.0071 371 VAL A CB 1590 C CG1 . VAL A 289 ? 0.8017 0.4665 0.4723 -0.0419 -0.0588 0.0058 371 VAL A CG1 1591 C CG2 . VAL A 289 ? 0.7191 0.4201 0.4285 -0.0419 -0.0713 0.0068 371 VAL A CG2 1592 N N . ILE A 290 ? 0.5177 0.2203 0.2362 -0.0462 -0.0789 0.0139 372 ILE A N 1593 C CA . ILE A 290 ? 0.5802 0.3015 0.3248 -0.0453 -0.0812 0.0167 372 ILE A CA 1594 C C . ILE A 290 ? 0.6801 0.4033 0.4371 -0.0449 -0.0743 0.0249 372 ILE A C 1595 O O . ILE A 290 ? 0.7651 0.5016 0.5439 -0.0439 -0.0699 0.0269 372 ILE A O 1596 C CB . ILE A 290 ? 0.5763 0.2995 0.3223 -0.0463 -0.0925 0.0152 372 ILE A CB 1597 C CG1 . ILE A 290 ? 0.3732 0.1125 0.1328 -0.0422 -0.0903 0.0132 372 ILE A CG1 1598 C CG2 . ILE A 290 ? 0.3734 0.1123 0.1453 -0.0449 -0.0931 0.0189 372 ILE A CG2 1599 C CD1 . ILE A 290 ? 0.4973 0.2550 0.2748 -0.0387 -0.0855 0.0130 372 ILE A CD1 1600 N N . LYS A 291 ? 0.5578 0.2688 0.3010 -0.0451 -0.0731 0.0305 373 LYS A N 1601 C CA . LYS A 291 ? 0.6431 0.3562 0.3948 -0.0441 -0.0661 0.0404 373 LYS A CA 1602 C C . LYS A 291 ? 0.7279 0.4433 0.4830 -0.0432 -0.0554 0.0428 373 LYS A C 1603 O O . LYS A 291 ? 0.7806 0.5036 0.5529 -0.0430 -0.0496 0.0491 373 LYS A O 1604 C CB . LYS A 291 ? 0.7679 0.4698 0.5019 -0.0434 -0.0665 0.0470 373 LYS A CB 1605 C CG . LYS A 291 ? 0.7738 0.4752 0.5093 -0.0439 -0.0758 0.0479 373 LYS A CG 1606 C CD . LYS A 291 ? 0.8207 0.5139 0.5400 -0.0423 -0.0749 0.0561 373 LYS A CD 1607 C CE . LYS A 291 ? 0.9325 0.6258 0.6543 -0.0423 -0.0839 0.0579 373 LYS A CE 1608 N NZ . LYS A 291 ? 0.9514 0.6393 0.6584 -0.0400 -0.0827 0.0668 373 LYS A NZ 1609 N N . ALA A 292 ? 0.6810 0.3889 0.4196 -0.0427 -0.0527 0.0376 374 ALA A N 1610 C CA . ALA A 292 ? 0.5949 0.3045 0.3353 -0.0413 -0.0425 0.0393 374 ALA A CA 1611 C C . ALA A 292 ? 0.5672 0.2913 0.3309 -0.0416 -0.0415 0.0355 374 ALA A C 1612 O O . ALA A 292 ? 0.5560 0.2872 0.3343 -0.0412 -0.0342 0.0403 374 ALA A O 1613 C CB . ALA A 292 ? 0.5601 0.2562 0.2749 -0.0400 -0.0395 0.0345 374 ALA A CB 1614 N N . LEU A 293 ? 0.5253 0.2550 0.2927 -0.0420 -0.0489 0.0276 375 LEU A N 1615 C CA . LEU A 293 ? 0.4585 0.2051 0.2487 -0.0411 -0.0482 0.0243 375 LEU A CA 1616 C C . LEU A 293 ? 0.5387 0.2971 0.3544 -0.0416 -0.0476 0.0290 375 LEU A C 1617 O O . LEU A 293 ? 0.6107 0.3793 0.4449 -0.0412 -0.0424 0.0299 375 LEU A O 1618 C CB . LEU A 293 ? 0.4402 0.1937 0.2297 -0.0403 -0.0558 0.0174 375 LEU A CB 1619 C CG . LEU A 293 ? 0.4668 0.2124 0.2358 -0.0394 -0.0553 0.0126 375 LEU A CG 1620 C CD1 . LEU A 293 ? 0.5402 0.2971 0.3134 -0.0376 -0.0621 0.0100 375 LEU A CD1 1621 C CD2 . LEU A 293 ? 0.3500 0.0979 0.1232 -0.0379 -0.0458 0.0121 375 LEU A CD2 1622 N N . GLN A 294 ? 0.5277 0.2837 0.3435 -0.0424 -0.0529 0.0317 376 GLN A N 1623 C CA . GLN A 294 ? 0.4709 0.2352 0.3081 -0.0428 -0.0522 0.0362 376 GLN A CA 1624 C C . GLN A 294 ? 0.5966 0.3578 0.4385 -0.0435 -0.0436 0.0447 376 GLN A C 1625 O O . GLN A 294 ? 0.7016 0.4712 0.5641 -0.0439 -0.0400 0.0472 376 GLN A O 1626 C CB . GLN A 294 ? 0.4905 0.2511 0.3245 -0.0431 -0.0597 0.0376 376 GLN A CB 1627 C CG . GLN A 294 ? 0.5285 0.2966 0.3650 -0.0422 -0.0681 0.0306 376 GLN A CG 1628 C CD . GLN A 294 ? 0.6076 0.3719 0.4420 -0.0425 -0.0755 0.0325 376 GLN A CD 1629 O OE1 . GLN A 294 ? 0.6967 0.4498 0.5207 -0.0434 -0.0756 0.0382 376 GLN A OE1 1630 N NE2 . GLN A 294 ? 0.6029 0.3773 0.4473 -0.0412 -0.0812 0.0284 376 GLN A NE2 1631 N N . LYS A 295 ? 0.6441 0.3933 0.4663 -0.0435 -0.0400 0.0494 377 LYS A N 1632 C CA . LYS A 295 ? 0.6206 0.3681 0.4457 -0.0437 -0.0310 0.0590 377 LYS A CA 1633 C C . LYS A 295 ? 0.5594 0.3141 0.3959 -0.0437 -0.0243 0.0581 377 LYS A C 1634 O O . LYS A 295 ? 0.4480 0.2086 0.3014 -0.0447 -0.0188 0.0642 377 LYS A O 1635 C CB . LYS A 295 ? 0.6515 0.3863 0.4509 -0.0426 -0.0279 0.0641 377 LYS A CB 1636 C CG . LYS A 295 ? 0.7513 0.4865 0.5532 -0.0422 -0.0178 0.0753 377 LYS A CG 1637 C CD . LYS A 295 ? 0.8293 0.5540 0.6048 -0.0401 -0.0140 0.0800 377 LYS A CD 1638 C CE . LYS A 295 ? 0.8399 0.5586 0.6054 -0.0398 -0.0197 0.0834 377 LYS A CE 1639 N NZ . LYS A 295 ? 0.6981 0.4081 0.4380 -0.0372 -0.0156 0.0882 377 LYS A NZ 1640 N N . VAL A 296 ? 0.6151 0.3686 0.4420 -0.0426 -0.0246 0.0507 378 VAL A N 1641 C CA . VAL A 296 ? 0.5119 0.2720 0.3488 -0.0421 -0.0184 0.0497 378 VAL A CA 1642 C C . VAL A 296 ? 0.4888 0.2636 0.3528 -0.0428 -0.0208 0.0462 378 VAL A C 1643 O O . VAL A 296 ? 0.5051 0.2870 0.3849 -0.0435 -0.0155 0.0490 378 VAL A O 1644 C CB . VAL A 296 ? 0.3708 0.1248 0.1893 -0.0403 -0.0178 0.0425 378 VAL A CB 1645 C CG1 . VAL A 296 ? 0.3966 0.1593 0.2283 -0.0395 -0.0130 0.0403 378 VAL A CG1 1646 C CG2 . VAL A 296 ? 0.4013 0.1407 0.1933 -0.0389 -0.0124 0.0462 378 VAL A CG2 1647 N N . ASP A 297 ? 0.4730 0.2527 0.3418 -0.0425 -0.0285 0.0405 379 ASP A N 1648 C CA . ASP A 297 ? 0.5765 0.3703 0.4685 -0.0423 -0.0302 0.0366 379 ASP A CA 1649 C C . ASP A 297 ? 0.5884 0.3847 0.4973 -0.0441 -0.0269 0.0427 379 ASP A C 1650 O O . ASP A 297 ? 0.5505 0.3542 0.4754 -0.0450 -0.0245 0.0416 379 ASP A O 1651 C CB . ASP A 297 ? 0.7146 0.5115 0.6036 -0.0414 -0.0392 0.0305 379 ASP A CB 1652 C CG . ASP A 297 ? 0.8335 0.6402 0.7380 -0.0417 -0.0431 0.0270 379 ASP A CG 1653 O OD1 . ASP A 297 ? 0.7840 0.5981 0.6921 -0.0405 -0.0437 0.0222 379 ASP A OD1 1654 O OD2 . ASP A 297 ? 0.9155 0.7220 0.8280 -0.0430 -0.0454 0.0294 379 ASP A OD2 1655 N N . ARG A 298 ? 0.6179 0.4058 0.5205 -0.0452 -0.0273 0.0491 380 ARG A N 1656 C CA . ARG A 298 ? 0.6743 0.4629 0.5914 -0.0469 -0.0238 0.0554 380 ARG A CA 1657 C C . ARG A 298 ? 0.6267 0.4151 0.5495 -0.0485 -0.0150 0.0626 380 ARG A C 1658 O O . ARG A 298 ? 0.6076 0.3998 0.5468 -0.0503 -0.0109 0.0652 380 ARG A O 1659 C CB . ARG A 298 ? 0.7945 0.5742 0.7028 -0.0472 -0.0263 0.0613 380 ARG A CB 1660 C CG . ARG A 298 ? 1.0792 0.8484 0.9667 -0.0468 -0.0242 0.0679 380 ARG A CG 1661 C CD . ARG A 298 ? 1.1620 0.9230 1.0408 -0.0466 -0.0268 0.0740 380 ARG A CD 1662 N NE . ARG A 298 ? 1.0879 0.8490 0.9638 -0.0458 -0.0360 0.0674 380 ARG A NE 1663 C CZ . ARG A 298 ? 1.0270 0.7806 0.8834 -0.0449 -0.0416 0.0661 380 ARG A CZ 1664 N NH1 . ARG A 298 ? 0.9801 0.7348 0.8359 -0.0444 -0.0500 0.0606 380 ARG A NH1 1665 N NH2 . ARG A 298 ? 1.0650 0.8097 0.9017 -0.0444 -0.0387 0.0704 380 ARG A NH2 1666 N N . LEU A 299 ? 0.6358 0.4190 0.5434 -0.0477 -0.0119 0.0656 381 LEU A N 1667 C CA . LEU A 299 ? 0.6742 0.4580 0.5849 -0.0487 -0.0032 0.0734 381 LEU A CA 1668 C C . LEU A 299 ? 0.6140 0.4074 0.5410 -0.0493 -0.0008 0.0693 381 LEU A C 1669 O O . LEU A 299 ? 0.5272 0.3243 0.4671 -0.0514 0.0055 0.0755 381 LEU A O 1670 C CB . LEU A 299 ? 0.7825 0.5579 0.6687 -0.0470 -0.0002 0.0763 381 LEU A CB 1671 C CG . LEU A 299 ? 0.7837 0.5500 0.6543 -0.0466 0.0006 0.0841 381 LEU A CG 1672 C CD1 . LEU A 299 ? 0.8919 0.6496 0.7360 -0.0442 0.0043 0.0848 381 LEU A CD1 1673 C CD2 . LEU A 299 ? 0.6918 0.4612 0.5766 -0.0486 0.0068 0.0960 381 LEU A CD2 1674 N N . VAL A 300 ? 0.5975 0.3952 0.5238 -0.0476 -0.0058 0.0591 382 VAL A N 1675 C CA . VAL A 300 ? 0.5599 0.3673 0.5013 -0.0476 -0.0043 0.0543 382 VAL A CA 1676 C C . VAL A 300 ? 0.5929 0.4069 0.5535 -0.0494 -0.0048 0.0522 382 VAL A C 1677 O O . VAL A 300 ? 0.6321 0.4512 0.6059 -0.0513 -0.0006 0.0525 382 VAL A O 1678 C CB . VAL A 300 ? 0.3861 0.1972 0.3210 -0.0447 -0.0091 0.0443 382 VAL A CB 1679 C CG1 . VAL A 300 ? 0.3606 0.1827 0.3119 -0.0443 -0.0077 0.0396 382 VAL A CG1 1680 C CG2 . VAL A 300 ? 0.3660 0.1677 0.2783 -0.0431 -0.0073 0.0450 382 VAL A CG2 1681 N N . GLY A 301 ? 0.6195 0.4318 0.5787 -0.0493 -0.0101 0.0498 383 GLY A N 1682 C CA . GLY A 301 ? 0.6688 0.4825 0.6385 -0.0522 -0.0128 0.0480 383 GLY A CA 1683 C C . GLY A 301 ? 0.7596 0.5699 0.7379 -0.0554 -0.0050 0.0558 383 GLY A C 1684 O O . GLY A 301 ? 0.8296 0.6421 0.8179 -0.0588 -0.0050 0.0539 383 GLY A O 1685 N N . MSE A 302 ? 0.7358 0.5396 0.7073 -0.0551 0.0001 0.0651 384 MSE A N 1686 C CA . MSE A 302 ? 0.7442 0.5436 0.7208 -0.0586 0.0078 0.0743 384 MSE A CA 1687 C C . MSE A 302 ? 0.7005 0.5047 0.6848 -0.0610 0.0141 0.0750 384 MSE A C 1688 O O . MSE A 302 ? 0.7838 0.5868 0.7748 -0.0659 0.0182 0.0764 384 MSE A O 1689 C CB . MSE A 302 ? 0.8935 0.6858 0.8583 -0.0574 0.0111 0.0854 384 MSE A CB 1690 C CG . MSE A 302 ? 0.9269 0.7155 0.8961 -0.0604 0.0207 0.0962 384 MSE A CG 1691 SE SE . MSE A 302 ? 1.7267 1.5102 1.6805 -0.0579 0.0250 0.1116 384 MSE A SE 1692 C CE . MSE A 302 ? 0.7679 0.5434 0.7103 -0.0558 0.0149 0.1072 384 MSE A CE 1693 N N . LEU A 303 ? 0.6065 0.4152 0.5876 -0.0583 0.0141 0.0738 385 LEU A N 1694 C CA . LEU A 303 ? 0.6375 0.4512 0.6254 -0.0600 0.0199 0.0747 385 LEU A CA 1695 C C . LEU A 303 ? 0.6149 0.4338 0.6121 -0.0631 0.0170 0.0648 385 LEU A C 1696 O O . LEU A 303 ? 0.6074 0.4275 0.6091 -0.0685 0.0205 0.0660 385 LEU A O 1697 C CB . LEU A 303 ? 0.5929 0.4103 0.5742 -0.0562 0.0184 0.0748 385 LEU A CB 1698 C CG . LEU A 303 ? 0.5288 0.3534 0.5182 -0.0569 0.0226 0.0745 385 LEU A CG 1699 C CD1 . LEU A 303 ? 0.5953 0.4224 0.5876 -0.0597 0.0319 0.0838 385 LEU A CD1 1700 C CD2 . LEU A 303 ? 0.2965 0.1219 0.2743 -0.0535 0.0191 0.0728 385 LEU A CD2 1701 N N . MSE A 304 ? 0.5389 0.3621 0.5369 -0.0602 0.0092 0.0554 386 MSE A N 1702 C CA . MSE A 304 ? 0.5557 0.3862 0.5618 -0.0621 0.0050 0.0467 386 MSE A CA 1703 C C . MSE A 304 ? 0.5959 0.4242 0.6080 -0.0677 0.0027 0.0480 386 MSE A C 1704 O O . MSE A 304 ? 0.5653 0.3995 0.5860 -0.0718 0.0005 0.0453 386 MSE A O 1705 C CB . MSE A 304 ? 0.6313 0.4661 0.6339 -0.0584 -0.0049 0.0389 386 MSE A CB 1706 C CG . MSE A 304 ? 0.6575 0.4948 0.6538 -0.0537 -0.0042 0.0367 386 MSE A CG 1707 SE SE . MSE A 304 ? 0.7827 0.6260 0.7862 -0.0538 0.0040 0.0369 386 MSE A SE 1708 C CE . MSE A 304 ? 1.3156 1.1683 1.3277 -0.0570 -0.0035 0.0284 386 MSE A CE 1709 N N . ASP A 305 ? 0.5954 0.4160 0.6038 -0.0679 0.0024 0.0526 387 ASP A N 1710 C CA . ASP A 305 ? 0.5885 0.4054 0.6027 -0.0732 0.0011 0.0552 387 ASP A CA 1711 C C . ASP A 305 ? 0.5715 0.3867 0.5881 -0.0786 0.0097 0.0615 387 ASP A C 1712 O O . ASP A 305 ? 0.5018 0.3195 0.5276 -0.0844 0.0078 0.0617 387 ASP A O 1713 C CB . ASP A 305 ? 0.6115 0.4196 0.6200 -0.0717 -0.0007 0.0592 387 ASP A CB 1714 C CG . ASP A 305 ? 0.6159 0.4260 0.6228 -0.0685 -0.0111 0.0529 387 ASP A CG 1715 O OD1 . ASP A 305 ? 0.5778 0.3957 0.5902 -0.0683 -0.0171 0.0458 387 ASP A OD1 1716 O OD2 . ASP A 305 ? 0.5994 0.4034 0.5988 -0.0661 -0.0132 0.0554 387 ASP A OD2 1717 N N . GLY A 306 ? 0.6184 0.4303 0.6278 -0.0775 0.0162 0.0686 388 GLY A N 1718 C CA . GLY A 306 ? 0.6234 0.4349 0.6335 -0.0836 0.0222 0.0767 388 GLY A CA 1719 C C . GLY A 306 ? 0.6547 0.4781 0.6753 -0.0874 0.0203 0.0732 388 GLY A C 1720 O O . GLY A 306 ? 0.6715 0.5008 0.7024 -0.0941 0.0209 0.0775 388 GLY A O 1721 N N . LEU A 307 ? 0.6919 0.5205 0.7117 -0.0828 0.0177 0.0661 389 LEU A N 1722 C CA . LEU A 307 ? 0.7020 0.5427 0.7323 -0.0854 0.0150 0.0625 389 LEU A CA 1723 C C . LEU A 307 ? 0.7438 0.5915 0.7872 -0.0887 0.0082 0.0565 389 LEU A C 1724 O O . LEU A 307 ? 0.7063 0.5644 0.7628 -0.0933 0.0067 0.0570 389 LEU A O 1725 C CB . LEU A 307 ? 0.6208 0.4638 0.6456 -0.0791 0.0139 0.0561 389 LEU A CB 1726 C CG . LEU A 307 ? 0.6377 0.4748 0.6502 -0.0755 0.0210 0.0616 389 LEU A CG 1727 C CD1 . LEU A 307 ? 0.6732 0.5121 0.6828 -0.0682 0.0189 0.0543 389 LEU A CD1 1728 C CD2 . LEU A 307 ? 0.6343 0.4776 0.6497 -0.0806 0.0251 0.0695 389 LEU A CD2 1729 N N . LYS A 308 ? 0.7399 0.5825 0.7801 -0.0859 0.0043 0.0512 390 LYS A N 1730 C CA . LYS A 308 ? 0.7343 0.5819 0.7857 -0.0884 -0.0035 0.0467 390 LYS A CA 1731 C C . LYS A 308 ? 0.7514 0.5972 0.8113 -0.0957 -0.0019 0.0522 390 LYS A C 1732 O O . LYS A 308 ? 0.7977 0.6509 0.8704 -0.0999 -0.0060 0.0502 390 LYS A O 1733 C CB . LYS A 308 ? 0.7471 0.5902 0.7944 -0.0838 -0.0105 0.0426 390 LYS A CB 1734 C CG . LYS A 308 ? 0.7676 0.6146 0.8247 -0.0853 -0.0190 0.0381 390 LYS A CG 1735 C CD . LYS A 308 ? 0.6595 0.5026 0.7114 -0.0804 -0.0256 0.0346 390 LYS A CD 1736 C CE . LYS A 308 ? 0.7171 0.5628 0.7777 -0.0815 -0.0332 0.0306 390 LYS A CE 1737 N NZ . LYS A 308 ? 0.8276 0.6686 0.8831 -0.0773 -0.0390 0.0285 390 LYS A NZ 1738 N N . ASP A 309 ? 0.7208 0.5568 0.7736 -0.0970 0.0042 0.0594 391 ASP A N 1739 C CA . ASP A 309 ? 0.7725 0.6063 0.8332 -0.1041 0.0060 0.0661 391 ASP A CA 1740 C C . ASP A 309 ? 0.7678 0.6126 0.8403 -0.1100 0.0089 0.0718 391 ASP A C 1741 O O . ASP A 309 ? 0.6855 0.5332 0.7695 -0.1166 0.0095 0.0762 391 ASP A O 1742 C CB . ASP A 309 ? 0.8190 0.6397 0.8691 -0.1036 0.0109 0.0738 391 ASP A CB 1743 C CG . ASP A 309 ? 0.8926 0.7047 0.9363 -0.0988 0.0066 0.0700 391 ASP A CG 1744 O OD1 . ASP A 309 ? 0.9140 0.7301 0.9650 -0.0981 -0.0018 0.0633 391 ASP A OD1 1745 O OD2 . ASP A 309 ? 0.8744 0.6765 0.9066 -0.0956 0.0106 0.0748 391 ASP A OD2 1746 N N . LEU A 310 ? 0.7627 0.6143 0.8333 -0.1073 0.0110 0.0722 392 LEU A N 1747 C CA . LEU A 310 ? 0.7229 0.5879 0.8066 -0.1116 0.0140 0.0779 392 LEU A CA 1748 C C . LEU A 310 ? 0.6381 0.5161 0.7340 -0.1117 0.0081 0.0702 392 LEU A C 1749 O O . LEU A 310 ? 0.5869 0.4787 0.6966 -0.1149 0.0095 0.0737 392 LEU A O 1750 C CB . LEU A 310 ? 0.7419 0.6072 0.8163 -0.1085 0.0210 0.0847 392 LEU A CB 1751 C CG . LEU A 310 ? 0.7785 0.6393 0.8474 -0.1108 0.0291 0.0968 392 LEU A CG 1752 C CD1 . LEU A 310 ? 0.7752 0.6191 0.8308 -0.1100 0.0291 0.0975 392 LEU A CD1 1753 C CD2 . LEU A 310 ? 0.8108 0.6729 0.8688 -0.1065 0.0357 0.1023 392 LEU A CD2 1754 N N . GLY A 311 ? 0.6210 0.4955 0.7118 -0.1078 0.0019 0.0601 393 GLY A N 1755 C CA . GLY A 311 ? 0.6813 0.5666 0.7804 -0.1070 -0.0038 0.0522 393 GLY A CA 1756 C C . GLY A 311 ? 0.7189 0.6119 0.8170 -0.1031 -0.0025 0.0517 393 GLY A C 1757 O O . GLY A 311 ? 0.6874 0.5934 0.7978 -0.1045 -0.0046 0.0504 393 GLY A O 1758 N N . LEU A 312 ? 0.7057 0.5903 0.7892 -0.0980 0.0011 0.0528 394 LEU A N 1759 C CA . LEU A 312 ? 0.5607 0.4501 0.6413 -0.0942 0.0033 0.0532 394 LEU A CA 1760 C C . LEU A 312 ? 0.4655 0.3476 0.5311 -0.0869 0.0010 0.0451 394 LEU A C 1761 O O . LEU A 312 ? 0.3144 0.1966 0.3740 -0.0831 0.0033 0.0451 394 LEU A O 1762 C CB . LEU A 312 ? 0.5183 0.4058 0.5953 -0.0951 0.0117 0.0641 394 LEU A CB 1763 C CG . LEU A 312 ? 0.6311 0.5321 0.7260 -0.1011 0.0159 0.0733 394 LEU A CG 1764 C CD1 . LEU A 312 ? 0.6873 0.5840 0.7750 -0.1015 0.0251 0.0847 394 LEU A CD1 1765 C CD2 . LEU A 312 ? 0.6583 0.5762 0.7676 -0.1003 0.0158 0.0732 394 LEU A CD2 1766 N N . ASP A 313 ? 0.5063 0.3828 0.5667 -0.0846 -0.0029 0.0388 395 ASP A N 1767 C CA . ASP A 313 ? 0.6025 0.4752 0.6516 -0.0775 -0.0048 0.0319 395 ASP A CA 1768 C C . ASP A 313 ? 0.5613 0.4436 0.6136 -0.0743 -0.0091 0.0257 395 ASP A C 1769 O O . ASP A 313 ? 0.4548 0.3357 0.4991 -0.0686 -0.0102 0.0220 395 ASP A O 1770 C CB . ASP A 313 ? 0.7229 0.5911 0.7722 -0.0764 -0.0115 0.0299 395 ASP A CB 1771 C CG . ASP A 313 ? 0.8654 0.7396 0.9273 -0.0799 -0.0181 0.0277 395 ASP A CG 1772 O OD1 . ASP A 313 ? 0.9099 0.7901 0.9816 -0.0852 -0.0163 0.0299 395 ASP A OD1 1773 O OD2 . ASP A 313 ? 0.8597 0.7330 0.9217 -0.0773 -0.0251 0.0240 395 ASP A OD2 1774 N N . LYS A 314 ? 0.4660 0.3585 0.5305 -0.0778 -0.0115 0.0250 396 LYS A N 1775 C CA . LYS A 314 ? 0.4664 0.3686 0.5347 -0.0749 -0.0148 0.0202 396 LYS A CA 1776 C C . LYS A 314 ? 0.5961 0.5069 0.6752 -0.0782 -0.0120 0.0255 396 LYS A C 1777 O O . LYS A 314 ? 0.6832 0.6051 0.7721 -0.0782 -0.0152 0.0230 396 LYS A O 1778 C CB . LYS A 314 ? 0.4563 0.3648 0.5340 -0.0749 -0.0233 0.0157 396 LYS A CB 1779 C CG . LYS A 314 ? 0.5925 0.4945 0.6645 -0.0711 -0.0289 0.0128 396 LYS A CG 1780 C CD . LYS A 314 ? 0.6653 0.5730 0.7433 -0.0688 -0.0366 0.0080 396 LYS A CD 1781 C CE . LYS A 314 ? 0.8512 0.7630 0.9419 -0.0748 -0.0387 0.0087 396 LYS A CE 1782 N NZ . LYS A 314 ? 0.9214 0.8366 1.0163 -0.0722 -0.0458 0.0040 396 LYS A NZ 1783 N N . CYS A 315 ? 0.5760 0.4828 0.6547 -0.0806 -0.0060 0.0340 397 CYS A N 1784 C CA . CYS A 315 ? 0.5593 0.4769 0.6514 -0.0832 -0.0020 0.0417 397 CYS A CA 1785 C C . CYS A 315 ? 0.5601 0.4705 0.6420 -0.0807 0.0059 0.0489 397 CYS A C 1786 O O . CYS A 315 ? 0.5841 0.5030 0.6757 -0.0824 0.0125 0.0582 397 CYS A O 1787 C CB . CYS A 315 ? 0.6482 0.5740 0.7562 -0.0903 -0.0010 0.0479 397 CYS A CB 1788 S SG . CYS A 315 ? 0.8332 0.7804 0.9644 -0.0933 0.0036 0.0566 397 CYS A SG 1789 N N . LEU A 316 ? 0.5249 0.4208 0.5870 -0.0760 0.0062 0.0446 398 LEU A N 1790 C CA . LEU A 316 ? 0.5056 0.3917 0.5535 -0.0730 0.0133 0.0505 398 LEU A CA 1791 C C . LEU A 316 ? 0.5888 0.4668 0.6220 -0.0665 0.0122 0.0434 398 LEU A C 1792 O O . LEU A 316 ? 0.7583 0.6333 0.7864 -0.0634 0.0079 0.0341 398 LEU A O 1793 C CB . LEU A 316 ? 0.4006 0.2736 0.4357 -0.0742 0.0168 0.0547 398 LEU A CB 1794 C CG . LEU A 316 ? 0.5541 0.4162 0.5708 -0.0712 0.0236 0.0616 398 LEU A CG 1795 C CD1 . LEU A 316 ? 0.6684 0.5439 0.6972 -0.0723 0.0313 0.0734 398 LEU A CD1 1796 C CD2 . LEU A 316 ? 0.6998 0.5479 0.7015 -0.0701 0.0261 0.0630 398 LEU A CD2 1797 N N . ASN A 317 ? 0.3625 0.2395 0.3911 -0.0635 0.0170 0.0486 399 ASN A N 1798 C CA . ASN A 317 ? 0.3771 0.2435 0.3884 -0.0577 0.0158 0.0430 399 ASN A CA 1799 C C . ASN A 317 ? 0.4606 0.3214 0.4623 -0.0542 0.0112 0.0486 399 ASN A C 1800 O O . ASN A 317 ? 0.5675 0.4247 0.5645 -0.0532 0.0224 0.0574 399 ASN A O 1801 C CB . ASN A 317 ? 0.3838 0.2596 0.4052 -0.0532 0.0205 0.0467 399 ASN A CB 1802 C CG . ASN A 317 ? 0.4737 0.3641 0.5144 -0.0541 0.0165 0.0419 399 ASN A CG 1803 O OD1 . ASN A 317 ? 0.4192 0.3104 0.4588 -0.0552 0.0082 0.0327 399 ASN A OD1 1804 N ND2 . ASN A 317 ? 0.6085 0.5129 0.6670 -0.0525 0.0241 0.0485 399 ASN A ND2 1805 N N . LEU A 318 ? 0.3665 0.2290 0.3786 -0.0463 0.0138 0.0407 400 LEU A N 1806 C CA . LEU A 318 ? 0.3794 0.2312 0.3748 -0.0448 0.0123 0.0434 400 LEU A CA 1807 C C . LEU A 318 ? 0.3829 0.2294 0.3601 -0.0393 0.0108 0.0359 400 LEU A C 1808 O O . LEU A 318 ? 0.2798 0.1330 0.2632 -0.0367 0.0062 0.0274 400 LEU A O 1809 C CB . LEU A 318 ? 0.2332 0.0842 0.2316 -0.0453 0.0102 0.0398 400 LEU A CB 1810 C CG . LEU A 318 ? 0.4596 0.3013 0.4392 -0.0436 0.0081 0.0410 400 LEU A CG 1811 C CD1 . LEU A 318 ? 0.5510 0.3848 0.5181 -0.0453 0.0145 0.0518 400 LEU A CD1 1812 C CD2 . LEU A 318 ? 0.3799 0.2220 0.3631 -0.0445 0.0046 0.0381 400 LEU A CD2 1813 N N . ILE A 319 ? 0.3943 0.2295 0.3487 -0.0370 0.0172 0.0388 401 ILE A N 1814 C CA . ILE A 319 ? 0.4283 0.2564 0.3636 -0.0318 0.0175 0.0314 401 ILE A CA 1815 C C . ILE A 319 ? 0.5091 0.3267 0.4255 -0.0312 0.0173 0.0313 401 ILE A C 1816 O O . ILE A 319 ? 0.4129 0.2203 0.3125 -0.0300 0.0255 0.0366 401 ILE A O 1817 C CB . ILE A 319 ? 0.3661 0.1884 0.2888 -0.0274 0.0279 0.0326 401 ILE A CB 1818 C CG1 . ILE A 319 ? 0.2950 0.1274 0.2360 -0.0282 0.0285 0.0334 401 ILE A CG1 1819 C CG2 . ILE A 319 ? 0.2797 0.0946 0.1839 -0.0223 0.0278 0.0245 401 ILE A CG2 1820 C CD1 . ILE A 319 ? 0.3704 0.1995 0.3024 -0.0223 0.0403 0.0346 401 ILE A CD1 1821 N N . LEU A 320 ? 0.5415 0.3627 0.4606 -0.0315 0.0089 0.0256 402 LEU A N 1822 C CA . LEU A 320 ? 0.4568 0.2682 0.3578 -0.0314 0.0072 0.0250 402 LEU A CA 1823 C C . LEU A 320 ? 0.5440 0.3472 0.4232 -0.0277 0.0079 0.0187 402 LEU A C 1824 O O . LEU A 320 ? 0.5816 0.3929 0.4651 -0.0263 0.0024 0.0122 402 LEU A O 1825 C CB . LEU A 320 ? 0.3325 0.1522 0.2460 -0.0332 -0.0011 0.0226 402 LEU A CB 1826 C CG . LEU A 320 ? 0.4301 0.2400 0.3275 -0.0340 -0.0037 0.0237 402 LEU A CG 1827 C CD1 . LEU A 320 ? 0.5264 0.3261 0.4155 -0.0359 0.0026 0.0329 402 LEU A CD1 1828 C CD2 . LEU A 320 ? 0.3900 0.2090 0.3012 -0.0351 -0.0105 0.0216 402 LEU A CD2 1829 N N . ILE A 321 ? 0.5392 0.3271 0.3953 -0.0258 0.0157 0.0212 403 ILE A N 1830 C CA . ILE A 321 ? 0.4496 0.2274 0.2838 -0.0219 0.0186 0.0153 403 ILE A CA 1831 C C . ILE A 321 ? 0.4992 0.2604 0.3068 -0.0216 0.0196 0.0152 403 ILE A C 1832 O O . ILE A 321 ? 0.4793 0.2369 0.2853 -0.0238 0.0198 0.0209 403 ILE A O 1833 C CB . ILE A 321 ? 0.4278 0.2014 0.2571 -0.0177 0.0297 0.0170 403 ILE A CB 1834 C CG1 . ILE A 321 ? 0.4825 0.2535 0.3010 -0.0139 0.0303 0.0096 403 ILE A CG1 1835 C CG2 . ILE A 321 ? 0.4668 0.2279 0.2790 -0.0154 0.0405 0.0238 403 ILE A CG2 1836 C CD1 . ILE A 321 ? 0.4782 0.2452 0.2928 -0.0086 0.0417 0.0110 403 ILE A CD1 1837 N N . SER A 322 ? 0.5500 0.3013 0.3367 -0.0190 0.0201 0.0092 404 SER A N 1838 C CA . SER A 322 ? 0.5310 0.2631 0.2885 -0.0181 0.0220 0.0082 404 SER A CA 1839 C C . SER A 322 ? 0.6227 0.3405 0.3570 -0.0131 0.0302 0.0040 404 SER A C 1840 O O . SER A 322 ? 0.6433 0.3686 0.3848 -0.0109 0.0322 0.0019 404 SER A O 1841 C CB . SER A 322 ? 0.5337 0.2665 0.2863 -0.0214 0.0106 0.0049 404 SER A CB 1842 O OG . SER A 322 ? 0.6240 0.3667 0.3806 -0.0207 0.0054 0.0009 404 SER A OG 1843 N N . ASP A 323 ? 0.7303 0.4280 0.4382 -0.0109 0.0348 0.0032 405 ASP A N 1844 C CA . ASP A 323 ? 0.7063 0.3882 0.3939 -0.0052 0.0435 -0.0009 405 ASP A CA 1845 C C . ASP A 323 ? 0.6775 0.3696 0.3697 -0.0067 0.0347 -0.0011 405 ASP A C 1846 O O . ASP A 323 ? 0.6032 0.2977 0.2995 -0.0041 0.0377 0.0010 405 ASP A O 1847 C CB . ASP A 323 ? 0.6838 0.3500 0.3567 -0.0014 0.0516 0.0032 405 ASP A CB 1848 C CG . ASP A 323 ? 0.7981 0.4591 0.4620 -0.0055 0.0441 0.0046 405 ASP A CG 1849 O OD1 . ASP A 323 ? 0.8625 0.5339 0.5380 -0.0111 0.0346 0.0052 405 ASP A OD1 1850 O OD2 . ASP A 323 ? 0.7459 0.3947 0.3931 -0.0028 0.0473 0.0059 405 ASP A OD2 1851 N N . HIS A 324 ? 0.7158 0.4097 0.4073 -0.0111 0.0245 -0.0006 406 HIS A N 1852 C CA . HIS A 324 ? 0.7307 0.4268 0.4253 -0.0124 0.0174 0.0010 406 HIS A CA 1853 C C . HIS A 324 ? 0.7107 0.4144 0.4114 -0.0167 0.0061 0.0012 406 HIS A C 1854 O O . HIS A 324 ? 0.7259 0.4347 0.4306 -0.0191 0.0026 0.0006 406 HIS A O 1855 C CB . HIS A 324 ? 0.6759 0.3497 0.3516 -0.0099 0.0219 0.0013 406 HIS A CB 1856 C CG . HIS A 324 ? 0.7044 0.3579 0.3627 -0.0095 0.0246 0.0004 406 HIS A CG 1857 N ND1 . HIS A 324 ? 0.7327 0.3844 0.3887 -0.0135 0.0166 0.0000 406 HIS A ND1 1858 C CD2 . HIS A 324 ? 0.8292 0.4629 0.4682 -0.0047 0.0352 -0.0004 406 HIS A CD2 1859 C CE1 . HIS A 324 ? 0.8404 0.4714 0.4739 -0.0119 0.0218 -0.0010 406 HIS A CE1 1860 N NE2 . HIS A 324 ? 0.9332 0.5530 0.5560 -0.0062 0.0336 -0.0006 406 HIS A NE2 1861 N N . GLY A 325 ? 0.6632 0.3662 0.3641 -0.0177 0.0005 0.0015 407 GLY A N 1862 C CA . GLY A 325 ? 0.6141 0.3236 0.3214 -0.0208 -0.0094 0.0021 407 GLY A CA 1863 C C . GLY A 325 ? 0.6160 0.3065 0.3051 -0.0221 -0.0116 0.0027 407 GLY A C 1864 O O . GLY A 325 ? 0.6003 0.2722 0.2721 -0.0208 -0.0056 0.0024 407 GLY A O 1865 N N . MSE A 326 ? 0.5671 0.2606 0.2599 -0.0243 -0.0199 0.0031 408 MSE A N 1866 C CA . MSE A 326 ? 0.6251 0.3000 0.3004 -0.0260 -0.0234 0.0033 408 MSE A CA 1867 C C . MSE A 326 ? 0.7279 0.4047 0.4056 -0.0276 -0.0305 0.0034 408 MSE A C 1868 O O . MSE A 326 ? 0.7583 0.4533 0.4550 -0.0282 -0.0356 0.0040 408 MSE A O 1869 C CB . MSE A 326 ? 0.7347 0.4084 0.4098 -0.0280 -0.0272 0.0044 408 MSE A CB 1870 C CG . MSE A 326 ? 0.8249 0.4764 0.4789 -0.0298 -0.0305 0.0038 408 MSE A CG 1871 SE SE . MSE A 326 ? 0.9598 0.5797 0.5800 -0.0269 -0.0201 0.0017 408 MSE A SE 1872 C CE . MSE A 326 ? 0.5892 0.2125 0.2129 -0.0257 -0.0126 0.0008 408 MSE A CE 1873 N N . GLU A 327 ? 0.7977 0.4544 0.4549 -0.0280 -0.0304 0.0026 409 GLU A N 1874 C CA . GLU A 327 ? 0.7020 0.3653 0.3645 -0.0296 -0.0366 0.0001 409 GLU A CA 1875 C C . GLU A 327 ? 0.7076 0.3573 0.3539 -0.0316 -0.0414 -0.0013 409 GLU A C 1876 O O . GLU A 327 ? 0.7902 0.4240 0.4172 -0.0307 -0.0377 -0.0023 409 GLU A O 1877 C CB . GLU A 327 ? 0.6544 0.3217 0.3184 -0.0279 -0.0321 -0.0040 409 GLU A CB 1878 C CG . GLU A 327 ? 0.7805 0.4477 0.4440 -0.0304 -0.0384 -0.0062 409 GLU A CG 1879 C CD . GLU A 327 ? 0.7902 0.4707 0.4708 -0.0319 -0.0447 -0.0038 409 GLU A CD 1880 O OE1 . GLU A 327 ? 0.6339 0.3152 0.3162 -0.0340 -0.0518 -0.0030 409 GLU A OE1 1881 O OE2 . GLU A 327 ? 0.8594 0.5500 0.5516 -0.0305 -0.0423 -0.0029 409 GLU A OE2 1882 N N . GLN A 328 ? 0.6119 0.2701 0.2669 -0.0338 -0.0493 -0.0019 410 GLN A N 1883 C CA . GLN A 328 ? 0.6618 0.3106 0.3031 -0.0359 -0.0549 -0.0035 410 GLN A CA 1884 C C . GLN A 328 ? 0.7903 0.4337 0.4183 -0.0358 -0.0537 -0.0088 410 GLN A C 1885 O O . GLN A 328 ? 0.7889 0.4382 0.4231 -0.0368 -0.0557 -0.0112 410 GLN A O 1886 C CB . GLN A 328 ? 0.5595 0.2194 0.2152 -0.0382 -0.0637 -0.0021 410 GLN A CB 1887 C CG . GLN A 328 ? 0.5895 0.2425 0.2324 -0.0404 -0.0702 -0.0039 410 GLN A CG 1888 C CD . GLN A 328 ? 0.7343 0.3723 0.3585 -0.0402 -0.0693 -0.0026 410 GLN A CD 1889 O OE1 . GLN A 328 ? 0.8403 0.4760 0.4683 -0.0405 -0.0699 0.0011 410 GLN A OE1 1890 N NE2 . GLN A 328 ? 0.6933 0.3222 0.2971 -0.0396 -0.0678 -0.0058 410 GLN A NE2 1891 N N . GLY A 329 ? 0.8653 0.4940 0.4712 -0.0347 -0.0507 -0.0102 411 GLY A N 1892 C CA . GLY A 329 ? 0.9366 0.5592 0.5271 -0.0343 -0.0497 -0.0152 411 GLY A CA 1893 C C . GLY A 329 ? 0.9377 0.5618 0.5230 -0.0372 -0.0585 -0.0173 411 GLY A C 1894 O O . GLY A 329 ? 0.9377 0.5646 0.5267 -0.0390 -0.0645 -0.0146 411 GLY A O 1895 N N . SER A 330 ? 0.9484 0.5708 0.5250 -0.0379 -0.0593 -0.0224 412 SER A N 1896 C CA . SER A 330 ? 0.8832 0.5057 0.4525 -0.0411 -0.0679 -0.0250 412 SER A CA 1897 C C . SER A 330 ? 1.0437 0.6557 0.5899 -0.0405 -0.0664 -0.0301 412 SER A C 1898 O O . SER A 330 ? 1.2377 0.8425 0.7768 -0.0385 -0.0598 -0.0326 412 SER A O 1899 C CB . SER A 330 ? 0.6866 0.3148 0.2696 -0.0448 -0.0742 -0.0255 412 SER A CB 1900 O OG . SER A 330 ? 0.7234 0.3517 0.2994 -0.0482 -0.0828 -0.0280 412 SER A OG 1901 N N . CYS A 331 ? 1.0210 0.6325 0.5552 -0.0420 -0.0726 -0.0316 413 CYS A N 1902 C CA . CYS A 331 ? 0.9010 0.5033 0.4122 -0.0416 -0.0725 -0.0367 413 CYS A CA 1903 C C . CYS A 331 ? 0.8589 0.4569 0.3689 -0.0451 -0.0757 -0.0418 413 CYS A C 1904 O O . CYS A 331 ? 0.8792 0.4671 0.3734 -0.0442 -0.0722 -0.0465 413 CYS A O 1905 C CB . CYS A 331 ? 0.8500 0.4535 0.3481 -0.0425 -0.0793 -0.0363 413 CYS A CB 1906 S SG . CYS A 331 ? 1.2153 0.8141 0.7035 -0.0389 -0.0761 -0.0294 413 CYS A SG 1907 N N . LYS A 332 ? 0.8720 0.4776 0.3987 -0.0490 -0.0823 -0.0408 414 LYS A N 1908 C CA . LYS A 332 ? 1.0192 0.6225 0.5467 -0.0527 -0.0858 -0.0453 414 LYS A CA 1909 C C . LYS A 332 ? 1.1606 0.7599 0.6936 -0.0510 -0.0780 -0.0457 414 LYS A C 1910 O O . LYS A 332 ? 1.2860 0.8790 0.8128 -0.0529 -0.0779 -0.0504 414 LYS A O 1911 C CB . LYS A 332 ? 1.0061 0.6203 0.5505 -0.0569 -0.0947 -0.0436 414 LYS A CB 1912 N N . LYS A 333 ? 1.1572 0.7605 0.7016 -0.0475 -0.0716 -0.0409 415 LYS A N 1913 C CA . LYS A 333 ? 1.1451 0.7464 0.6958 -0.0454 -0.0640 -0.0405 415 LYS A CA 1914 C C . LYS A 333 ? 1.0428 0.6355 0.5807 -0.0404 -0.0543 -0.0409 415 LYS A C 1915 O O . LYS A 333 ? 0.8695 0.4659 0.4165 -0.0371 -0.0481 -0.0369 415 LYS A O 1916 C CB . LYS A 333 ? 1.1236 0.7372 0.6978 -0.0451 -0.0637 -0.0350 415 LYS A CB 1917 C CG . LYS A 333 ? 1.2186 0.8416 0.8064 -0.0493 -0.0726 -0.0342 415 LYS A CG 1918 C CD . LYS A 333 ? 1.2521 0.8867 0.8618 -0.0485 -0.0714 -0.0297 415 LYS A CD 1919 C CE . LYS A 333 ? 1.2693 0.9133 0.8919 -0.0521 -0.0798 -0.0291 415 LYS A CE 1920 N NZ . LYS A 333 ? 1.2157 0.8710 0.8582 -0.0511 -0.0783 -0.0256 415 LYS A NZ 1921 N N . TYR A 334 ? 1.0783 0.6597 0.5949 -0.0397 -0.0531 -0.0459 416 TYR A N 1922 C CA . TYR A 334 ? 1.0811 0.6535 0.5834 -0.0345 -0.0437 -0.0467 416 TYR A CA 1923 C C . TYR A 334 ? 1.1833 0.7429 0.6686 -0.0345 -0.0416 -0.0530 416 TYR A C 1924 O O . TYR A 334 ? 1.3177 0.8737 0.7942 -0.0385 -0.0485 -0.0576 416 TYR A O 1925 C CB . TYR A 334 ? 0.9980 0.5700 0.4881 -0.0321 -0.0434 -0.0456 416 TYR A CB 1926 C CG . TYR A 334 ? 0.8611 0.4325 0.3497 -0.0263 -0.0332 -0.0424 416 TYR A CG 1927 C CD1 . TYR A 334 ? 0.7804 0.3554 0.2756 -0.0253 -0.0326 -0.0365 416 TYR A CD1 1928 C CD2 . TYR A 334 ? 0.7364 0.2979 0.2123 -0.0219 -0.0243 -0.0449 416 TYR A CD2 1929 C CE1 . TYR A 334 ? 0.7782 0.3472 0.2674 -0.0203 -0.0233 -0.0332 416 TYR A CE1 1930 C CE2 . TYR A 334 ? 0.7299 0.2857 0.2001 -0.0165 -0.0148 -0.0413 416 TYR A CE2 1931 C CZ . TYR A 334 ? 0.7790 0.3390 0.2561 -0.0158 -0.0142 -0.0355 416 TYR A CZ 1932 O OH . TYR A 334 ? 0.7189 0.2742 0.1908 -0.0104 -0.0044 -0.0321 416 TYR A OH 1933 N N . VAL A 335 ? 1.1081 0.6608 0.5887 -0.0300 -0.0320 -0.0534 417 VAL A N 1934 C CA . VAL A 335 ? 1.0717 0.6111 0.5363 -0.0295 -0.0289 -0.0592 417 VAL A CA 1935 C C . VAL A 335 ? 1.1401 0.6689 0.5826 -0.0241 -0.0220 -0.0614 417 VAL A C 1936 O O . VAL A 335 ? 1.1030 0.6333 0.5467 -0.0188 -0.0139 -0.0578 417 VAL A O 1937 C CB . VAL A 335 ? 1.0034 0.5422 0.4789 -0.0282 -0.0231 -0.0584 417 VAL A CB 1938 C CG1 . VAL A 335 ? 0.9052 0.4288 0.3629 -0.0271 -0.0192 -0.0645 417 VAL A CG1 1939 C CG2 . VAL A 335 ? 1.0102 0.5597 0.5059 -0.0333 -0.0297 -0.0566 417 VAL A CG2 1940 N N . TYR A 336 ? 1.1412 0.6599 0.5634 -0.0256 -0.0252 -0.0675 418 TYR A N 1941 C CA . TYR A 336 ? 1.0590 0.5672 0.4580 -0.0204 -0.0189 -0.0702 418 TYR A CA 1942 C C . TYR A 336 ? 1.0678 0.5611 0.4528 -0.0192 -0.0144 -0.0761 418 TYR A C 1943 O O . TYR A 336 ? 0.9975 0.4852 0.3771 -0.0241 -0.0208 -0.0815 418 TYR A O 1944 C CB . TYR A 336 ? 1.0585 0.5672 0.4425 -0.0223 -0.0259 -0.0724 418 TYR A CB 1945 C CG . TYR A 336 ? 1.0660 0.5891 0.4637 -0.0239 -0.0312 -0.0666 418 TYR A CG 1946 C CD1 . TYR A 336 ? 1.0363 0.5654 0.4378 -0.0191 -0.0248 -0.0609 418 TYR A CD1 1947 C CD2 . TYR A 336 ? 0.8367 0.3674 0.2437 -0.0302 -0.0423 -0.0669 418 TYR A CD2 1948 C CE1 . TYR A 336 ? 1.0077 0.5472 0.4197 -0.0207 -0.0295 -0.0556 418 TYR A CE1 1949 C CE2 . TYR A 336 ? 1.1219 0.6650 0.5411 -0.0314 -0.0469 -0.0616 418 TYR A CE2 1950 C CZ . TYR A 336 ? 1.0804 0.6285 0.5026 -0.0267 -0.0405 -0.0561 418 TYR A CZ 1951 O OH . TYR A 336 ? 0.7890 0.3464 0.2210 -0.0280 -0.0452 -0.0508 418 TYR A OH 1952 N N . LEU A 337 ? 1.2666 0.7535 0.6458 -0.0125 -0.0033 -0.0751 419 LEU A N 1953 C CA . LEU A 337 ? 1.4038 0.8762 0.7710 -0.0103 0.0025 -0.0799 419 LEU A CA 1954 C C . LEU A 337 ? 1.4709 0.9295 0.8115 -0.0110 0.0001 -0.0876 419 LEU A C 1955 O O . LEU A 337 ? 1.4895 0.9358 0.8207 -0.0119 0.0010 -0.0932 419 LEU A O 1956 C CB . LEU A 337 ? 1.3803 0.8501 0.7473 -0.0021 0.0153 -0.0765 419 LEU A CB 1957 C CG . LEU A 337 ? 1.2477 0.7277 0.6392 -0.0011 0.0193 -0.0704 419 LEU A CG 1958 C CD1 . LEU A 337 ? 1.2540 0.7288 0.6419 0.0071 0.0320 -0.0683 419 LEU A CD1 1959 C CD2 . LEU A 337 ? 1.1809 0.6619 0.5850 -0.0068 0.0139 -0.0719 419 LEU A CD2 1960 N N . ASN A 338 ? 1.4213 0.8819 0.7493 -0.0104 -0.0030 -0.0880 420 ASN A N 1961 C CA . ASN A 338 ? 1.3329 0.7815 0.6342 -0.0106 -0.0053 -0.0952 420 ASN A CA 1962 C C . ASN A 338 ? 1.3291 0.7730 0.6277 -0.0185 -0.0156 -0.1019 420 ASN A C 1963 O O . ASN A 338 ? 1.4591 0.8895 0.7369 -0.0190 -0.0162 -0.1093 420 ASN A O 1964 C CB . ASN A 338 ? 1.2827 0.7372 0.5727 -0.0088 -0.0073 -0.0934 420 ASN A CB 1965 C CG . ASN A 338 ? 1.3309 0.8008 0.6371 -0.0143 -0.0173 -0.0895 420 ASN A CG 1966 O OD1 . ASN A 338 ? 1.3521 0.8251 0.6680 -0.0212 -0.0266 -0.0916 420 ASN A OD1 1967 N ND2 . ASN A 338 ? 1.3625 0.8424 0.6716 -0.0111 -0.0154 -0.0835 420 ASN A ND2 1968 N N . LYS A 339 ? 1.2279 0.6833 0.5478 -0.0246 -0.0235 -0.0993 421 LYS A N 1969 C CA . LYS A 339 ? 1.2531 0.7069 0.5738 -0.0325 -0.0336 -0.1049 421 LYS A CA 1970 C C . LYS A 339 ? 1.2909 0.7315 0.6074 -0.0332 -0.0299 -0.1101 421 LYS A C 1971 O O . LYS A 339 ? 1.3532 0.7868 0.6614 -0.0387 -0.0364 -0.1169 421 LYS A O 1972 C CB . LYS A 339 ? 1.2065 0.6767 0.5530 -0.0379 -0.0414 -0.0999 421 LYS A CB 1973 C CG . LYS A 339 ? 1.2466 0.7178 0.5971 -0.0461 -0.0519 -0.1048 421 LYS A CG 1974 C CD . LYS A 339 ? 1.2004 0.6885 0.5772 -0.0503 -0.0583 -0.0991 421 LYS A CD 1975 C CE . LYS A 339 ? 1.1863 0.6766 0.5678 -0.0583 -0.0686 -0.1037 421 LYS A CE 1976 N NZ . LYS A 339 ? 1.1718 0.6791 0.5781 -0.0618 -0.0748 -0.0981 421 LYS A NZ 1977 N N . TYR A 340 ? 1.2444 0.6816 0.5662 -0.0276 -0.0194 -0.1068 422 TYR A N 1978 C CA . TYR A 340 ? 1.2952 0.7197 0.6131 -0.0273 -0.0147 -0.1109 422 TYR A CA 1979 C C . TYR A 340 ? 1.3607 0.7693 0.6556 -0.0200 -0.0047 -0.1142 422 TYR A C 1980 O O . TYR A 340 ? 1.4258 0.8197 0.7091 -0.0198 -0.0017 -0.1199 422 TYR A O 1981 C CB . TYR A 340 ? 1.2481 0.6811 0.5902 -0.0265 -0.0104 -0.1047 422 TYR A CB 1982 C CG . TYR A 340 ? 1.2244 0.6744 0.5901 -0.0325 -0.0191 -0.1005 422 TYR A CG 1983 C CD1 . TYR A 340 ? 1.1325 0.5975 0.5144 -0.0306 -0.0187 -0.0929 422 TYR A CD1 1984 C CD2 . TYR A 340 ? 1.1979 0.6491 0.5699 -0.0399 -0.0274 -0.1043 422 TYR A CD2 1985 C CE1 . TYR A 340 ? 1.1223 0.6024 0.5253 -0.0357 -0.0263 -0.0891 422 TYR A CE1 1986 C CE2 . TYR A 340 ? 1.2185 0.6856 0.6120 -0.0449 -0.0349 -0.1003 422 TYR A CE2 1987 C CZ . TYR A 340 ? 1.1852 0.6664 0.5938 -0.0425 -0.0342 -0.0927 422 TYR A CZ 1988 O OH . TYR A 340 ? 1.1031 0.5997 0.5327 -0.0470 -0.0414 -0.0888 422 TYR A OH 1989 N N . LEU A 341 ? 1.3005 0.7119 0.5886 -0.0138 0.0006 -0.1105 423 LEU A N 1990 C CA . LEU A 341 ? 1.4302 0.8283 0.6978 -0.0058 0.0112 -0.1126 423 LEU A CA 1991 C C . LEU A 341 ? 1.6399 1.0316 0.8819 -0.0044 0.0092 -0.1173 423 LEU A C 1992 O O . LEU A 341 ? 1.6766 1.0525 0.8960 -0.0006 0.0144 -0.1230 423 LEU A O 1993 C CB . LEU A 341 ? 1.3684 0.7742 0.6473 0.0018 0.0216 -0.1044 423 LEU A CB 1994 C CG . LEU A 341 ? 1.3506 0.7647 0.6550 0.0016 0.0246 -0.0987 423 LEU A CG 1995 C CD1 . LEU A 341 ? 1.3464 0.7681 0.6594 0.0093 0.0346 -0.0912 423 LEU A CD1 1996 C CD2 . LEU A 341 ? 1.2778 0.6790 0.5788 0.0014 0.0280 -0.1029 423 LEU A CD2 1997 N N . GLY A 342 ? 1.7093 1.1130 0.9541 -0.0074 0.0017 -0.1151 424 GLY A N 1998 C CA . GLY A 342 ? 1.6960 1.0960 0.9172 -0.0058 -0.0002 -0.1186 424 GLY A CA 1999 C C . GLY A 342 ? 1.6936 1.1006 0.9132 0.0019 0.0080 -0.1119 424 GLY A C 2000 O O . GLY A 342 ? 1.7261 1.1386 0.9614 0.0062 0.0159 -0.1055 424 GLY A O 2001 N N . ASP A 343 ? 1.6646 1.0724 0.8658 0.0035 0.0063 -0.1130 425 ASP A N 2002 C CA . ASP A 343 ? 1.5605 0.9757 0.7588 0.0108 0.0142 -0.1065 425 ASP A CA 2003 C C . ASP A 343 ? 1.6601 1.0640 0.8468 0.0197 0.0282 -0.1066 425 ASP A C 2004 O O . ASP A 343 ? 1.7632 1.1600 0.9263 0.0251 0.0333 -0.1089 425 ASP A O 2005 C CB . ASP A 343 ? 1.4192 0.8379 0.5988 0.0104 0.0089 -0.1077 425 ASP A CB 2006 N N . VAL A 344 ? 1.6177 1.0207 0.8212 0.0215 0.0344 -0.1039 426 VAL A N 2007 C CA . VAL A 344 ? 1.6307 1.0238 0.8266 0.0301 0.0477 -0.1034 426 VAL A CA 2008 C C . VAL A 344 ? 1.5025 0.9056 0.7061 0.0373 0.0573 -0.0946 426 VAL A C 2009 O O . VAL A 344 ? 1.3429 0.7593 0.5633 0.0349 0.0541 -0.0881 426 VAL A O 2010 C CB . VAL A 344 ? 1.6792 1.0657 0.8882 0.0288 0.0499 -0.1046 426 VAL A CB 2011 C CG1 . VAL A 344 ? 1.6987 1.0716 0.8958 0.0226 0.0423 -0.1138 426 VAL A CG1 2012 C CG2 . VAL A 344 ? 1.7113 1.1136 0.9514 0.0246 0.0462 -0.0980 426 VAL A CG2 2013 N N . ASN A 345 ? 1.5848 0.9783 0.7734 0.0463 0.0696 -0.0940 427 ASN A N 2014 C CA . ASN A 345 ? 1.6759 1.0751 0.8675 0.0540 0.0801 -0.0853 427 ASN A CA 2015 C C . ASN A 345 ? 1.7997 1.1947 0.9986 0.0612 0.0923 -0.0826 427 ASN A C 2016 O O . ASN A 345 ? 1.9126 1.3108 1.1117 0.0689 0.1029 -0.0761 427 ASN A O 2017 C CB . ASN A 345 ? 1.6917 1.0867 0.8570 0.0595 0.0845 -0.0851 427 ASN A CB 2018 C CG . ASN A 345 ? 1.6469 1.0483 0.8057 0.0532 0.0731 -0.0860 427 ASN A CG 2019 O OD1 . ASN A 345 ? 1.6561 1.0696 0.8237 0.0526 0.0717 -0.0790 427 ASN A OD1 2020 N ND2 . ASN A 345 ? 1.6095 1.0032 0.7530 0.0485 0.0647 -0.0947 427 ASN A ND2 2021 N N . ASN A 346 ? 1.7462 1.1347 0.9516 0.0587 0.0908 -0.0874 428 ASN A N 2022 C CA . ASN A 346 ? 1.6676 1.0520 0.8801 0.0652 0.1017 -0.0851 428 ASN A CA 2023 C C . ASN A 346 ? 1.5704 0.9685 0.8132 0.0635 0.1018 -0.0782 428 ASN A C 2024 O O . ASN A 346 ? 1.5793 0.9769 0.8306 0.0692 0.1109 -0.0748 428 ASN A O 2025 C CB . ASN A 346 ? 1.6831 1.0514 0.8850 0.0643 0.1013 -0.0932 428 ASN A CB 2026 C CG . ASN A 346 ? 1.7242 1.0917 0.9358 0.0538 0.0889 -0.0972 428 ASN A CG 2027 O OD1 . ASN A 346 ? 1.7189 1.0955 0.9360 0.0467 0.0784 -0.0974 428 ASN A OD1 2028 N ND2 . ASN A 346 ? 1.7548 1.1119 0.9687 0.0530 0.0902 -0.1002 428 ASN A ND2 2029 N N . VAL A 347 ? 1.4647 0.8752 0.7234 0.0558 0.0917 -0.0761 429 VAL A N 2030 C CA . VAL A 347 ? 1.3334 0.7573 0.6206 0.0534 0.0907 -0.0701 429 VAL A CA 2031 C C . VAL A 347 ? 1.4206 0.8577 0.7181 0.0521 0.0883 -0.0635 429 VAL A C 2032 O O . VAL A 347 ? 1.4591 0.8977 0.7467 0.0489 0.0820 -0.0645 429 VAL A O 2033 C CB . VAL A 347 ? 1.1519 0.5788 0.4544 0.0445 0.0803 -0.0739 429 VAL A CB 2034 C CG1 . VAL A 347 ? 1.2543 0.6649 0.5473 0.0464 0.0843 -0.0787 429 VAL A CG1 2035 C CG2 . VAL A 347 ? 1.0626 0.4898 0.3583 0.0364 0.0677 -0.0782 429 VAL A CG2 2036 N N . LYS A 348 ? 1.4390 0.8860 0.7561 0.0547 0.0936 -0.0567 430 LYS A N 2037 C CA . LYS A 348 ? 1.3419 0.8017 0.6711 0.0532 0.0916 -0.0503 430 LYS A CA 2038 C C . LYS A 348 ? 1.2053 0.6762 0.5611 0.0464 0.0842 -0.0484 430 LYS A C 2039 O O . LYS A 348 ? 0.9956 0.4681 0.3650 0.0472 0.0871 -0.0478 430 LYS A O 2040 C CB . LYS A 348 ? 0.9445 0.4080 0.2743 0.0621 0.1045 -0.0435 430 LYS A CB 2041 N N . VAL A 349 ? 1.2425 0.7215 0.6053 0.0400 0.0747 -0.0472 431 VAL A N 2042 C CA . VAL A 349 ? 1.0987 0.5886 0.4859 0.0333 0.0669 -0.0455 431 VAL A CA 2043 C C . VAL A 349 ? 1.0942 0.5953 0.4948 0.0329 0.0668 -0.0389 431 VAL A C 2044 O O . VAL A 349 ? 1.1456 0.6486 0.5387 0.0315 0.0634 -0.0375 431 VAL A O 2045 C CB . VAL A 349 ? 0.9244 0.4151 0.3119 0.0248 0.0538 -0.0506 431 VAL A CB 2046 C CG1 . VAL A 349 ? 0.8449 0.3486 0.2584 0.0184 0.0461 -0.0482 431 VAL A CG1 2047 C CG2 . VAL A 349 ? 0.9332 0.4136 0.3096 0.0244 0.0534 -0.0576 431 VAL A CG2 2048 N N . VAL A 350 ? 1.0357 0.5445 0.4560 0.0341 0.0707 -0.0349 432 VAL A N 2049 C CA . VAL A 350 ? 1.0477 0.5672 0.4826 0.0328 0.0699 -0.0293 432 VAL A CA 2050 C C . VAL A 350 ? 1.0520 0.5787 0.5010 0.0240 0.0571 -0.0302 432 VAL A C 2051 O O . VAL A 350 ? 1.1068 0.6393 0.5731 0.0208 0.0539 -0.0305 432 VAL A O 2052 C CB . VAL A 350 ? 0.9550 0.4808 0.4060 0.0373 0.0786 -0.0249 432 VAL A CB 2053 C CG1 . VAL A 350 ? 0.8093 0.3455 0.2730 0.0364 0.0788 -0.0194 432 VAL A CG1 2054 C CG2 . VAL A 350 ? 0.7862 0.3056 0.2251 0.0464 0.0914 -0.0241 432 VAL A CG2 2055 N N . TYR A 351 ? 1.0411 0.5683 0.4828 0.0203 0.0501 -0.0304 433 TYR A N 2056 C CA . TYR A 351 ? 1.0461 0.5797 0.4989 0.0123 0.0375 -0.0316 433 TYR A CA 2057 C C . TYR A 351 ? 1.0198 0.5646 0.4965 0.0093 0.0349 -0.0274 433 TYR A C 2058 O O . TYR A 351 ? 0.9917 0.5395 0.4749 0.0130 0.0421 -0.0233 433 TYR A O 2059 C CB . TYR A 351 ? 1.1877 0.7198 0.6267 0.0100 0.0312 -0.0321 433 TYR A CB 2060 C CG . TYR A 351 ? 1.2913 0.8272 0.7289 0.0123 0.0345 -0.0264 433 TYR A CG 2061 C CD1 . TYR A 351 ? 1.3921 0.9241 0.8153 0.0193 0.0451 -0.0239 433 TYR A CD1 2062 C CD2 . TYR A 351 ? 1.2634 0.8075 0.7145 0.0075 0.0274 -0.0232 433 TYR A CD2 2063 C CE1 . TYR A 351 ? 1.4511 0.9888 0.8741 0.0213 0.0487 -0.0180 433 TYR A CE1 2064 C CE2 . TYR A 351 ? 1.3391 0.8872 0.7890 0.0094 0.0305 -0.0178 433 TYR A CE2 2065 C CZ . TYR A 351 ? 1.4357 0.9813 0.8719 0.0161 0.0413 -0.0150 433 TYR A CZ 2066 O OH . TYR A 351 ? 1.4670 1.0191 0.9035 0.0177 0.0449 -0.0087 433 TYR A OH 2067 N N . GLY A 352 ? 1.1102 0.6622 0.6003 0.0027 0.0246 -0.0286 434 GLY A N 2068 C CA . GLY A 352 ? 1.1493 0.7128 0.6623 -0.0005 0.0211 -0.0250 434 GLY A CA 2069 C C . GLY A 352 ? 1.1694 0.7411 0.6983 -0.0041 0.0162 -0.0271 434 GLY A C 2070 O O . GLY A 352 ? 1.1907 0.7582 0.7126 -0.0044 0.0157 -0.0316 434 GLY A O 2071 N N . PRO A 353 ? 1.0850 0.6692 0.6354 -0.0069 0.0128 -0.0239 435 PRO A N 2072 C CA . PRO A 353 ? 0.9471 0.5433 0.5156 -0.0098 0.0088 -0.0252 435 PRO A CA 2073 C C . PRO A 353 ? 0.8755 0.4701 0.4458 -0.0058 0.0171 -0.0256 435 PRO A C 2074 O O . PRO A 353 ? 0.8608 0.4561 0.4359 -0.0077 0.0153 -0.0266 435 PRO A O 2075 C CB . PRO A 353 ? 0.8334 0.4434 0.4220 -0.0126 0.0041 -0.0209 435 PRO A CB 2076 C CG . PRO A 353 ? 0.8692 0.4728 0.4518 -0.0097 0.0097 -0.0171 435 PRO A CG 2077 C CD . PRO A 353 ? 0.9820 0.5706 0.5407 -0.0073 0.0125 -0.0191 435 PRO A CD 2078 N N . ALA A 354 ? 0.8990 0.4860 0.4604 -0.0003 0.0265 -0.0239 436 ALA A N 2079 C CA . ALA A 354 ? 0.8740 0.4589 0.4359 0.0045 0.0352 -0.0241 436 ALA A CA 2080 C C . ALA A 354 ? 0.9536 0.5225 0.4923 0.0097 0.0425 -0.0265 436 ALA A C 2081 O O . ALA A 354 ? 1.1079 0.6717 0.6402 0.0155 0.0516 -0.0240 436 ALA A O 2082 C CB . ALA A 354 ? 0.9006 0.4924 0.4750 0.0074 0.0410 -0.0192 436 ALA A CB 2083 N N . ALA A 355 ? 0.9866 0.5486 0.5133 0.0078 0.0386 -0.0315 437 ALA A N 2084 C CA . ALA A 355 ? 1.0343 0.5812 0.5371 0.0123 0.0444 -0.0344 437 ALA A CA 2085 C C . ALA A 355 ? 0.9895 0.5300 0.4877 0.0182 0.0540 -0.0353 437 ALA A C 2086 O O . ALA A 355 ? 0.8871 0.4302 0.3951 0.0171 0.0538 -0.0359 437 ALA A O 2087 C CB . ALA A 355 ? 1.0626 0.6042 0.5534 0.0079 0.0364 -0.0399 437 ALA A CB 2088 N N . ARG A 356 ? 1.0515 0.5814 0.5324 0.0248 0.0628 -0.0350 438 ARG A N 2089 C CA . ARG A 356 ? 1.0512 0.5732 0.5245 0.0314 0.0727 -0.0358 438 ARG A CA 2090 C C . ARG A 356 ? 1.0728 0.5801 0.5201 0.0349 0.0759 -0.0399 438 ARG A C 2091 O O . ARG A 356 ? 1.0321 0.5369 0.4678 0.0341 0.0734 -0.0402 438 ARG A O 2092 C CB . ARG A 356 ? 1.0093 0.5359 0.4907 0.0380 0.0826 -0.0299 438 ARG A CB 2093 C CG . ARG A 356 ? 0.9652 0.5057 0.4713 0.0353 0.0803 -0.0264 438 ARG A CG 2094 C CD . ARG A 356 ? 1.0627 0.6095 0.5774 0.0406 0.0885 -0.0206 438 ARG A CD 2095 N NE . ARG A 356 ? 1.1716 0.7205 0.6838 0.0392 0.0865 -0.0185 438 ARG A NE 2096 C CZ . ARG A 356 ? 1.2696 0.8183 0.7765 0.0452 0.0951 -0.0151 438 ARG A CZ 2097 N NH1 . ARG A 356 ? 1.3108 0.8578 0.8150 0.0534 0.1063 -0.0131 438 ARG A NH1 2098 N NH2 . ARG A 356 ? 1.2675 0.8193 0.7727 0.0432 0.0925 -0.0132 438 ARG A NH2 2099 N N . LEU A 357 ? 1.1333 0.6311 0.5711 0.0388 0.0815 -0.0430 439 LEU A N 2100 C CA . LEU A 357 ? 1.0978 0.5810 0.5102 0.0417 0.0841 -0.0479 439 LEU A CA 2101 C C . LEU A 357 ? 1.0298 0.5038 0.4309 0.0514 0.0972 -0.0468 439 LEU A C 2102 O O . LEU A 357 ? 0.9648 0.4389 0.3743 0.0541 0.1020 -0.0460 439 LEU A O 2103 C CB . LEU A 357 ? 0.9935 0.4679 0.3981 0.0357 0.0762 -0.0546 439 LEU A CB 2104 C CG . LEU A 357 ? 1.0140 0.4730 0.3914 0.0366 0.0759 -0.0609 439 LEU A CG 2105 C CD1 . LEU A 357 ? 1.0599 0.5155 0.4334 0.0278 0.0637 -0.0660 439 LEU A CD1 2106 C CD2 . LEU A 357 ? 1.1267 0.5703 0.4890 0.0429 0.0850 -0.0638 439 LEU A CD2 2107 N N . ARG A 358 ? 1.0361 0.5031 0.4183 0.0568 0.1029 -0.0467 440 ARG A N 2108 C CA . ARG A 358 ? 1.0587 0.5168 0.4280 0.0665 0.1155 -0.0459 440 ARG A CA 2109 C C . ARG A 358 ? 1.1852 0.6295 0.5266 0.0686 0.1164 -0.0511 440 ARG A C 2110 O O . ARG A 358 ? 1.2785 0.7233 0.6114 0.0643 0.1095 -0.0529 440 ARG A O 2111 C CB . ARG A 358 ? 0.9003 0.3674 0.2777 0.0735 0.1250 -0.0382 440 ARG A CB 2112 C CG . ARG A 358 ? 1.0250 0.4970 0.3962 0.0730 0.1237 -0.0356 440 ARG A CG 2113 C CD . ARG A 358 ? 1.0633 0.5452 0.4432 0.0802 0.1342 -0.0279 440 ARG A CD 2114 N NE . ARG A 358 ? 1.0611 0.5488 0.4355 0.0796 0.1334 -0.0249 440 ARG A NE 2115 N N . PRO A 359 ? 1.2581 0.6901 0.5849 0.0754 0.1249 -0.0537 441 PRO A N 2116 C CA . PRO A 359 ? 1.2735 0.6917 0.5723 0.0781 0.1266 -0.0590 441 PRO A CA 2117 C C . PRO A 359 ? 1.2971 0.7181 0.5848 0.0840 0.1329 -0.0547 441 PRO A C 2118 O O . PRO A 359 ? 1.2423 0.6740 0.5428 0.0885 0.1397 -0.0473 441 PRO A O 2119 C CB . PRO A 359 ? 1.2579 0.6635 0.5475 0.0850 0.1358 -0.0613 441 PRO A CB 2120 C CG . PRO A 359 ? 1.1831 0.5985 0.4940 0.0894 0.1429 -0.0544 441 PRO A CG 2121 C CD . PRO A 359 ? 1.2023 0.6323 0.5370 0.0809 0.1332 -0.0518 441 PRO A CD 2122 N N . THR A 360 ? 1.3504 0.7628 0.6147 0.0838 0.1307 -0.0592 442 THR A N 2123 C CA . THR A 360 ? 1.3470 0.7621 0.5985 0.0893 0.1366 -0.0553 442 THR A CA 2124 C C . THR A 360 ? 1.3559 0.7668 0.5993 0.1010 0.1519 -0.0518 442 THR A C 2125 O O . THR A 360 ? 1.2885 0.7092 0.5369 0.1066 0.1598 -0.0445 442 THR A O 2126 C CB . THR A 360 ? 1.3796 0.7868 0.6070 0.0861 0.1300 -0.0612 442 THR A CB 2127 O OG1 . THR A 360 ? 1.2394 0.6517 0.4756 0.0754 0.1158 -0.0640 442 THR A OG1 2128 C CG2 . THR A 360 ? 1.4756 0.8879 0.6912 0.0914 0.1359 -0.0561 442 THR A CG2 2129 N N . ASP A 361 ? 1.4268 0.8235 0.6581 0.1047 0.1562 -0.0570 443 ASP A N 2130 C CA . ASP A 361 ? 1.4390 0.8309 0.6628 0.1162 0.1707 -0.0538 443 ASP A CA 2131 C C . ASP A 361 ? 1.3460 0.7484 0.5954 0.1193 0.1764 -0.0472 443 ASP A C 2132 O O . ASP A 361 ? 1.2621 0.6592 0.5186 0.1190 0.1767 -0.0493 443 ASP A O 2133 C CB . ASP A 361 ? 1.4246 0.7970 0.6265 0.1193 0.1735 -0.0616 443 ASP A CB 2134 N N . VAL A 362 ? 1.3400 0.7578 0.6031 0.1220 0.1810 -0.0390 444 VAL A N 2135 C CA . VAL A 362 ? 1.3520 0.7828 0.6416 0.1238 0.1849 -0.0323 444 VAL A CA 2136 C C . VAL A 362 ? 1.3124 0.7520 0.6042 0.1344 0.1988 -0.0242 444 VAL A C 2137 O O . VAL A 362 ? 1.3583 0.8021 0.6404 0.1366 0.2017 -0.0215 444 VAL A O 2138 C CB . VAL A 362 ? 1.6947 1.1391 1.0053 0.1141 0.1740 -0.0304 444 VAL A CB 2139 C CG1 . VAL A 362 ? 1.7278 1.1804 1.0339 0.1124 0.1721 -0.0272 444 VAL A CG1 2140 C CG2 . VAL A 362 ? 1.6929 1.1504 1.0307 0.1152 0.1770 -0.0244 444 VAL A CG2 2141 N N . PRO A 363 ? 1.1957 0.6390 0.5004 0.1411 0.2075 -0.0200 445 PRO A N 2142 C CA . PRO A 363 ? 1.2910 0.7308 0.6078 0.1397 0.2057 -0.0219 445 PRO A CA 2143 C C . PRO A 363 ? 1.4030 0.8240 0.7005 0.1447 0.2103 -0.0274 445 PRO A C 2144 O O . PRO A 363 ? 1.4457 0.8646 0.7518 0.1477 0.2139 -0.0267 445 PRO A O 2145 C CB . PRO A 363 ? 1.2714 0.7270 0.6105 0.1461 0.2146 -0.0130 445 PRO A CB 2146 C CG . PRO A 363 ? 1.1697 0.6290 0.4988 0.1553 0.2260 -0.0080 445 PRO A CG 2147 C CD . PRO A 363 ? 1.1643 0.6191 0.4749 0.1509 0.2206 -0.0115 445 PRO A CD 2148 N N . GLU A 364 ? 1.4884 0.8960 0.7597 0.1456 0.2103 -0.0329 446 GLU A N 2149 C CA . GLU A 364 ? 1.5464 0.9346 0.7968 0.1502 0.2145 -0.0390 446 GLU A CA 2150 C C . GLU A 364 ? 1.4289 0.8082 0.6828 0.1424 0.2054 -0.0456 446 GLU A C 2151 O O . GLU A 364 ? 1.4413 0.8109 0.6926 0.1465 0.2103 -0.0473 446 GLU A O 2152 C CB . GLU A 364 ? 1.5645 0.9410 0.7860 0.1515 0.2148 -0.0441 446 GLU A CB 2153 N N . THR A 365 ? 1.2777 0.6612 0.5381 0.1311 0.1922 -0.0490 447 THR A N 2154 C CA . THR A 365 ? 1.3612 0.7384 0.6258 0.1226 0.1825 -0.0551 447 THR A CA 2155 C C . THR A 365 ? 1.4791 0.8723 0.7718 0.1148 0.1744 -0.0515 447 THR A C 2156 O O . THR A 365 ? 1.4571 0.8497 0.7549 0.1054 0.1635 -0.0562 447 THR A O 2157 C CB . THR A 365 ? 1.4176 0.7831 0.6621 0.1156 0.1730 -0.0642 447 THR A CB 2158 O OG1 . THR A 365 ? 1.4257 0.8012 0.6716 0.1105 0.1661 -0.0628 447 THR A OG1 2159 C CG2 . THR A 365 ? 1.4911 0.8388 0.7065 0.1230 0.1807 -0.0691 447 THR A CG2 2160 N N . TYR A 366 ? 1.5292 0.9375 0.8403 0.1188 0.1797 -0.0432 448 TYR A N 2161 C CA . TYR A 366 ? 1.4865 0.9106 0.8240 0.1121 0.1727 -0.0394 448 TYR A CA 2162 C C . TYR A 366 ? 1.4002 0.8228 0.7496 0.1094 0.1704 -0.0409 448 TYR A C 2163 O O . TYR A 366 ? 1.4300 0.8603 0.7950 0.1007 0.1607 -0.0417 448 TYR A O 2164 C CB . TYR A 366 ? 1.5333 0.9733 0.8872 0.1176 0.1799 -0.0305 448 TYR A CB 2165 C CG . TYR A 366 ? 1.5084 0.9646 0.8874 0.1103 0.1720 -0.0272 448 TYR A CG 2166 C CD1 . TYR A 366 ? 1.5450 1.0083 0.9265 0.1038 0.1643 -0.0270 448 TYR A CD1 2167 C CD2 . TYR A 366 ? 1.4642 0.9281 0.8635 0.1099 0.1723 -0.0242 448 TYR A CD2 2168 C CE1 . TYR A 366 ? 1.5523 1.0295 0.9559 0.0973 0.1573 -0.0242 448 TYR A CE1 2169 C CE2 . TYR A 366 ? 1.4922 0.9707 0.9136 0.1033 0.1651 -0.0215 448 TYR A CE2 2170 C CZ . TYR A 366 ? 1.5671 1.0517 0.9904 0.0971 0.1577 -0.0216 448 TYR A CZ 2171 O OH . TYR A 366 ? 1.5426 1.0409 0.9871 0.0908 0.1508 -0.0190 448 TYR A OH 2172 N N . TYR A 367 ? 1.2830 0.6960 0.6250 0.1172 0.1796 -0.0410 449 TYR A N 2173 C CA . TYR A 367 ? 1.2983 0.7077 0.6487 0.1160 0.1792 -0.0419 449 TYR A CA 2174 C C . TYR A 367 ? 1.4163 0.8022 0.7424 0.1150 0.1783 -0.0498 449 TYR A C 2175 O O . TYR A 367 ? 1.4885 0.8674 0.8166 0.1102 0.1738 -0.0527 449 TYR A O 2176 C CB . TYR A 367 ? 1.2965 0.7119 0.6577 0.1259 0.1907 -0.0351 449 TYR A CB 2177 C CG . TYR A 367 ? 1.3626 0.7977 0.7450 0.1277 0.1928 -0.0269 449 TYR A CG 2178 C CD1 . TYR A 367 ? 1.3309 0.7805 0.7374 0.1219 0.1867 -0.0239 449 TYR A CD1 2179 C CD2 . TYR A 367 ? 1.4863 0.9260 0.8645 0.1352 0.2011 -0.0222 449 TYR A CD2 2180 C CE1 . TYR A 367 ? 1.2970 0.7642 0.7225 0.1234 0.1886 -0.0169 449 TYR A CE1 2181 C CE2 . TYR A 367 ? 1.4994 0.9576 0.8975 0.1366 0.2032 -0.0149 449 TYR A CE2 2182 C CZ . TYR A 367 ? 1.3531 0.8244 0.7745 0.1307 0.1968 -0.0125 449 TYR A CZ 2183 O OH . TYR A 367 ? 1.1866 0.6761 0.6276 0.1320 0.1987 -0.0058 449 TYR A OH 2184 N N . SER A 368 ? 1.4251 0.7992 0.7279 0.1197 0.1827 -0.0534 450 SER A N 2185 C CA . SER A 368 ? 1.4365 0.7874 0.7140 0.1194 0.1823 -0.0616 450 SER A CA 2186 C C . SER A 368 ? 1.3210 0.6677 0.5950 0.1073 0.1686 -0.0683 450 SER A C 2187 O O . SER A 368 ? 1.2759 0.6067 0.5382 0.1040 0.1657 -0.0746 450 SER A O 2188 C CB . SER A 368 ? 1.5891 0.9300 0.8425 0.1272 0.1899 -0.0639 450 SER A CB 2189 O OG . SER A 368 ? 1.6826 1.0278 0.9394 0.1387 0.2031 -0.0574 450 SER A OG 2190 N N . PHE A 369 ? 1.3352 0.6964 0.6194 0.1009 0.1603 -0.0669 451 PHE A N 2191 C CA . PHE A 369 ? 1.4305 0.7906 0.7139 0.0896 0.1469 -0.0723 451 PHE A CA 2192 C C . PHE A 369 ? 1.5607 0.9238 0.8614 0.0835 0.1417 -0.0717 451 PHE A C 2193 O O . PHE A 369 ? 1.7158 1.0940 1.0392 0.0841 0.1431 -0.0651 451 PHE A O 2194 C CB . PHE A 369 ? 1.4172 0.7939 0.7104 0.0850 0.1400 -0.0696 451 PHE A CB 2195 C CG . PHE A 369 ? 1.5002 0.8750 0.7886 0.0746 0.1268 -0.0753 451 PHE A CG 2196 C CD1 . PHE A 369 ? 1.5025 0.8839 0.8078 0.0658 0.1174 -0.0754 451 PHE A CD1 2197 C CD2 . PHE A 369 ? 1.5808 0.9483 0.8482 0.0737 0.1238 -0.0803 451 PHE A CD2 2198 C CE1 . PHE A 369 ? 1.5291 0.9098 0.8311 0.0565 0.1054 -0.0803 451 PHE A CE1 2199 C CE2 . PHE A 369 ? 1.5848 0.9516 0.8484 0.0643 0.1114 -0.0854 451 PHE A CE2 2200 C CZ . PHE A 369 ? 1.5421 0.9156 0.8235 0.0557 0.1022 -0.0853 451 PHE A CZ 2201 N N . ASN A 370 ? 1.5521 0.9016 0.8423 0.0776 0.1359 -0.0786 452 ASN A N 2202 C CA . ASN A 370 ? 1.5917 0.9448 0.8978 0.0712 0.1305 -0.0783 452 ASN A CA 2203 C C . ASN A 370 ? 1.4910 0.8577 0.8109 0.0608 0.1176 -0.0783 452 ASN A C 2204 O O . ASN A 370 ? 1.4070 0.7676 0.7158 0.0544 0.1092 -0.0845 452 ASN A O 2205 C CB . ASN A 370 ? 1.7043 1.0370 0.9947 0.0701 0.1312 -0.0852 452 ASN A CB 2206 C CG . ASN A 370 ? 1.7572 1.0757 1.0253 0.0652 0.1245 -0.0942 452 ASN A CG 2207 O OD1 . ASN A 370 ? 1.6974 1.0159 0.9680 0.0557 0.1141 -0.0985 452 ASN A OD1 2208 N ND2 . ASN A 370 ? 1.8437 1.1506 1.0898 0.0717 0.1305 -0.0971 452 ASN A ND2 2209 N N . TYR A 371 ? 1.4217 0.8074 0.7663 0.0595 0.1161 -0.0715 453 TYR A N 2210 C CA . TYR A 371 ? 1.2351 0.6355 0.5950 0.0506 0.1048 -0.0704 453 TYR A CA 2211 C C . TYR A 371 ? 1.2331 0.6318 0.5992 0.0423 0.0968 -0.0738 453 TYR A C 2212 O O . TYR A 371 ? 1.2650 0.6702 0.6365 0.0342 0.0863 -0.0756 453 TYR A O 2213 C CB . TYR A 371 ? 1.0644 0.4852 0.4481 0.0524 0.1066 -0.0622 453 TYR A CB 2214 C CG . TYR A 371 ? 1.0856 0.5105 0.4662 0.0604 0.1147 -0.0583 453 TYR A CG 2215 C CD1 . TYR A 371 ? 1.0306 0.4522 0.4094 0.0700 0.1267 -0.0551 453 TYR A CD1 2216 C CD2 . TYR A 371 ? 1.1840 0.6168 0.5639 0.0587 0.1107 -0.0576 453 TYR A CD2 2217 C CE1 . TYR A 371 ? 1.0734 0.5001 0.4502 0.0775 0.1345 -0.0513 453 TYR A CE1 2218 C CE2 . TYR A 371 ? 1.1476 0.5851 0.5249 0.0660 0.1186 -0.0539 453 TYR A CE2 2219 C CZ . TYR A 371 ? 1.1406 0.5754 0.5167 0.0754 0.1305 -0.0507 453 TYR A CZ 2220 O OH . TYR A 371 ? 1.1583 0.5981 0.5319 0.0829 0.1389 -0.0466 453 TYR A OH 2221 N N . GLU A 372 ? 1.1924 0.5830 0.5580 0.0447 0.1021 -0.0743 454 GLU A N 2222 C CA . GLU A 372 ? 1.1941 0.5838 0.5669 0.0377 0.0960 -0.0769 454 GLU A CA 2223 C C . GLU A 372 ? 1.2486 0.6276 0.6072 0.0301 0.0869 -0.0851 454 GLU A C 2224 O O . GLU A 372 ? 1.2438 0.6299 0.6131 0.0219 0.0777 -0.0864 454 GLU A O 2225 C CB . GLU A 372 ? 0.9634 0.3428 0.3335 0.0427 0.1047 -0.0768 454 GLU A CB 2226 N N . ALA A 373 ? 1.2824 0.6446 0.6169 0.0331 0.0896 -0.0907 455 ALA A N 2227 C CA . ALA A 373 ? 1.2267 0.5778 0.5456 0.0263 0.0813 -0.0990 455 ALA A CA 2228 C C . ALA A 373 ? 1.2088 0.5731 0.5343 0.0201 0.0709 -0.0985 455 ALA A C 2229 O O . ALA A 373 ? 1.2666 0.6324 0.5944 0.0116 0.0608 -0.1024 455 ALA A O 2230 C CB . ALA A 373 ? 1.1266 0.4571 0.4173 0.0318 0.0872 -0.1050 455 ALA A CB 2231 N N . LEU A 374 ? 1.1418 0.5159 0.4705 0.0245 0.0737 -0.0935 456 LEU A N 2232 C CA . LEU A 374 ? 1.1745 0.5612 0.5092 0.0196 0.0650 -0.0922 456 LEU A CA 2233 C C . LEU A 374 ? 1.2848 0.6890 0.6451 0.0130 0.0574 -0.0880 456 LEU A C 2234 O O . LEU A 374 ? 1.2569 0.6676 0.6212 0.0058 0.0471 -0.0897 456 LEU A O 2235 C CB . LEU A 374 ? 1.0964 0.4898 0.4299 0.0264 0.0709 -0.0873 456 LEU A CB 2236 C CG . LEU A 374 ? 1.0446 0.4517 0.3847 0.0225 0.0632 -0.0851 456 LEU A CG 2237 C CD1 . LEU A 374 ? 0.9902 0.3898 0.3145 0.0163 0.0537 -0.0922 456 LEU A CD1 2238 C CD2 . LEU A 374 ? 1.0547 0.4665 0.3916 0.0300 0.0707 -0.0806 456 LEU A CD2 2239 N N . ALA A 375 ? 1.3243 0.7365 0.7017 0.0156 0.0626 -0.0825 457 ALA A N 2240 C CA . ALA A 375 ? 1.1865 0.6158 0.5883 0.0102 0.0564 -0.0783 457 ALA A CA 2241 C C . ALA A 375 ? 1.2012 0.6267 0.6039 0.0024 0.0486 -0.0834 457 ALA A C 2242 O O . ALA A 375 ? 1.1686 0.6060 0.5843 -0.0043 0.0394 -0.0827 457 ALA A O 2243 C CB . ALA A 375 ? 1.1199 0.5574 0.5374 0.0153 0.0644 -0.0720 457 ALA A CB 2244 N N . LYS A 376 ? 1.2204 0.6292 0.6092 0.0034 0.0524 -0.0886 458 LYS A N 2245 C CA . LYS A 376 ? 1.1521 0.5553 0.5403 -0.0038 0.0458 -0.0941 458 LYS A CA 2246 C C . LYS A 376 ? 1.2548 0.6530 0.6309 -0.0102 0.0361 -0.1005 458 LYS A C 2247 O O . LYS A 376 ? 1.2166 0.6176 0.5986 -0.0179 0.0275 -0.1036 458 LYS A O 2248 C CB . LYS A 376 ? 1.0205 0.4056 0.3959 -0.0005 0.0533 -0.0982 458 LYS A CB 2249 N N . ASN A 377 ? 1.3578 0.7493 0.7171 -0.0069 0.0375 -0.1023 459 ASN A N 2250 C CA . ASN A 377 ? 1.4191 0.8058 0.7647 -0.0122 0.0288 -0.1084 459 ASN A CA 2251 C C . ASN A 377 ? 1.2634 0.6684 0.6239 -0.0168 0.0199 -0.1045 459 ASN A C 2252 O O . ASN A 377 ? 1.3119 0.7167 0.6658 -0.0224 0.0110 -0.1087 459 ASN A O 2253 C CB . ASN A 377 ? 1.6016 0.9739 0.9220 -0.0063 0.0342 -0.1121 459 ASN A CB 2254 C CG . ASN A 377 ? 1.7744 1.1338 1.0742 -0.0114 0.0271 -0.1214 459 ASN A CG 2255 O OD1 . ASN A 377 ? 1.8480 1.1902 1.1327 -0.0117 0.0291 -0.1281 459 ASN A OD1 2256 N ND2 . ASN A 377 ? 1.8044 1.1719 1.1033 -0.0156 0.0185 -0.1220 459 ASN A ND2 2257 N N . LEU A 378 ? 1.1328 0.5536 0.5134 -0.0143 0.0225 -0.0964 460 LEU A N 2258 C CA . LEU A 378 ? 1.1518 0.5901 0.5476 -0.0177 0.0152 -0.0919 460 LEU A CA 2259 C C . LEU A 378 ? 1.2145 0.6674 0.6342 -0.0229 0.0099 -0.0885 460 LEU A C 2260 O O . LEU A 378 ? 1.1905 0.6577 0.6237 -0.0265 0.0029 -0.0852 460 LEU A O 2261 C CB . LEU A 378 ? 1.0589 0.5050 0.4591 -0.0111 0.0216 -0.0854 460 LEU A CB 2262 C CG . LEU A 378 ? 1.0742 0.5114 0.4535 -0.0067 0.0248 -0.0876 460 LEU A CG 2263 C CD1 . LEU A 378 ? 1.1663 0.6110 0.5518 0.0005 0.0331 -0.0809 460 LEU A CD1 2264 C CD2 . LEU A 378 ? 1.0242 0.4646 0.3977 -0.0122 0.0145 -0.0904 460 LEU A CD2 2265 N N . SER A 379 ? 1.1998 0.6490 0.6244 -0.0230 0.0134 -0.0893 461 SER A N 2266 C CA . SER A 379 ? 1.1304 0.5938 0.5774 -0.0270 0.0095 -0.0859 461 SER A CA 2267 C C . SER A 379 ? 1.1297 0.5922 0.5774 -0.0352 -0.0002 -0.0913 461 SER A C 2268 O O . SER A 379 ? 1.1538 0.6008 0.5852 -0.0374 -0.0010 -0.0983 461 SER A O 2269 C CB . SER A 379 ? 1.1340 0.5960 0.5876 -0.0228 0.0181 -0.0836 461 SER A CB 2270 O OG . SER A 379 ? 1.1409 0.6016 0.5915 -0.0149 0.0276 -0.0795 461 SER A OG 2271 N N . CYS A 380 ? 1.1679 0.6471 0.6347 -0.0397 -0.0075 -0.0880 462 CYS A N 2272 C CA . CYS A 380 ? 1.1965 0.6781 0.6682 -0.0475 -0.0167 -0.0920 462 CYS A CA 2273 C C . CYS A 380 ? 1.1862 0.6574 0.6398 -0.0517 -0.0235 -0.0988 462 CYS A C 2274 O O . CYS A 380 ? 1.2800 0.7402 0.7242 -0.0560 -0.0264 -0.1056 462 CYS A O 2275 C CB . CYS A 380 ? 1.2419 0.7176 0.7165 -0.0490 -0.0139 -0.0948 462 CYS A CB 2276 S SG . CYS A 380 ? 1.6570 1.1451 1.1519 -0.0440 -0.0061 -0.0873 462 CYS A SG 2277 N N . ARG A 381 ? 1.1431 0.6179 0.5918 -0.0505 -0.0260 -0.0971 463 ARG A N 2278 C CA . ARG A 381 ? 1.1745 0.6412 0.6058 -0.0540 -0.0326 -0.1032 463 ARG A CA 2279 C C . ARG A 381 ? 1.2619 0.7425 0.7057 -0.0604 -0.0437 -0.1023 463 ARG A C 2280 O O . ARG A 381 ? 1.3131 0.7892 0.7464 -0.0654 -0.0514 -0.1080 463 ARG A O 2281 C CB . ARG A 381 ? 1.1539 0.6149 0.5697 -0.0483 -0.0282 -0.1023 463 ARG A CB 2282 C CG . ARG A 381 ? 1.1158 0.5641 0.5196 -0.0410 -0.0166 -0.1025 463 ARG A CG 2283 C CD . ARG A 381 ? 1.1232 0.5520 0.5069 -0.0423 -0.0153 -0.1110 463 ARG A CD 2284 N NE . ARG A 381 ? 1.2384 0.6540 0.5978 -0.0384 -0.0123 -0.1151 463 ARG A NE 2285 C CZ . ARG A 381 ? 1.2530 0.6654 0.5984 -0.0418 -0.0196 -0.1200 463 ARG A CZ 2286 N NH1 . ARG A 381 ? 1.2287 0.6502 0.5829 -0.0494 -0.0306 -0.1214 463 ARG A NH1 2287 N NH2 . ARG A 381 ? 1.2484 0.6490 0.5710 -0.0375 -0.0159 -0.1235 463 ARG A NH2 2288 N N . GLU A 382 ? 1.3155 0.8131 0.7814 -0.0600 -0.0446 -0.0952 464 GLU A N 2289 C CA . GLU A 382 ? 1.3871 0.8992 0.8670 -0.0650 -0.0543 -0.0933 464 GLU A CA 2290 C C . GLU A 382 ? 1.4196 0.9419 0.9198 -0.0682 -0.0561 -0.0915 464 GLU A C 2291 O O . GLU A 382 ? 1.4918 1.0143 0.9991 -0.0650 -0.0490 -0.0891 464 GLU A O 2292 C CB . GLU A 382 ? 1.4023 0.9261 0.8902 -0.0616 -0.0542 -0.0865 464 GLU A CB 2293 C CG . GLU A 382 ? 1.4257 0.9404 0.8940 -0.0581 -0.0522 -0.0879 464 GLU A CG 2294 C CD . GLU A 382 ? 1.4514 0.9619 0.9058 -0.0629 -0.0611 -0.0936 464 GLU A CD 2295 O OE1 . GLU A 382 ? 1.4565 0.9736 0.9193 -0.0691 -0.0696 -0.0954 464 GLU A OE1 2296 O OE2 . GLU A 382 ? 1.4541 0.9551 0.8889 -0.0604 -0.0595 -0.0964 464 GLU A OE2 2297 N N . PRO A 383 ? 1.4080 0.9391 0.9176 -0.0743 -0.0654 -0.0926 465 PRO A N 2298 C CA . PRO A 383 ? 1.4554 0.9973 0.9848 -0.0772 -0.0674 -0.0909 465 PRO A CA 2299 C C . PRO A 383 ? 1.4362 0.9928 0.9850 -0.0726 -0.0630 -0.0827 465 PRO A C 2300 O O . PRO A 383 ? 1.3709 0.9308 0.9302 -0.0715 -0.0586 -0.0812 465 PRO A O 2301 C CB . PRO A 383 ? 1.4332 0.9831 0.9680 -0.0837 -0.0785 -0.0928 465 PRO A CB 2302 C CG . PRO A 383 ? 1.4383 0.9866 0.9613 -0.0828 -0.0818 -0.0927 465 PRO A CG 2303 C CD . PRO A 383 ? 1.4158 0.9478 0.9180 -0.0786 -0.0746 -0.0956 465 PRO A CD 2304 N N . ASN A 384 ? 1.3165 0.8816 0.8696 -0.0701 -0.0643 -0.0778 466 ASN A N 2305 C CA . ASN A 384 ? 1.0810 0.6591 0.6507 -0.0656 -0.0601 -0.0703 466 ASN A CA 2306 C C . ASN A 384 ? 1.0204 0.5948 0.5814 -0.0602 -0.0547 -0.0673 466 ASN A C 2307 O O . ASN A 384 ? 1.0683 0.6509 0.6348 -0.0591 -0.0573 -0.0632 466 ASN A O 2308 C CB . ASN A 384 ? 1.0482 0.6430 0.6362 -0.0681 -0.0673 -0.0665 466 ASN A CB 2309 C CG . ASN A 384 ? 1.1937 0.7971 0.7977 -0.0707 -0.0689 -0.0665 466 ASN A CG 2310 O OD1 . ASN A 384 ? 1.2283 0.8371 0.8386 -0.0756 -0.0764 -0.0683 466 ASN A OD1 2311 N ND2 . ASN A 384 ? 1.2260 0.8311 0.8367 -0.0673 -0.0618 -0.0646 466 ASN A ND2 2312 N N . GLN A 385 ? 0.9698 0.5314 0.5172 -0.0567 -0.0470 -0.0695 467 GLN A N 2313 C CA . GLN A 385 ? 0.9500 0.5056 0.4864 -0.0514 -0.0410 -0.0676 467 GLN A CA 2314 C C . GLN A 385 ? 0.9578 0.5265 0.5101 -0.0473 -0.0373 -0.0602 467 GLN A C 2315 O O . GLN A 385 ? 0.9464 0.5235 0.5133 -0.0460 -0.0342 -0.0572 467 GLN A O 2316 C CB . GLN A 385 ? 0.8745 0.4142 0.3949 -0.0481 -0.0328 -0.0713 467 GLN A CB 2317 C CG . GLN A 385 ? 0.9567 0.4863 0.4599 -0.0433 -0.0275 -0.0717 467 GLN A CG 2318 C CD . GLN A 385 ? 1.0684 0.5806 0.5536 -0.0404 -0.0203 -0.0765 467 GLN A CD 2319 O OE1 . GLN A 385 ? 1.1183 0.6206 0.5940 -0.0441 -0.0231 -0.0826 467 GLN A OE1 2320 N NE2 . GLN A 385 ? 1.0532 0.5615 0.5339 -0.0338 -0.0110 -0.0738 467 GLN A NE2 2321 N N . HIS A 386 ? 0.8532 0.4237 0.4024 -0.0452 -0.0376 -0.0575 468 HIS A N 2322 C CA . HIS A 386 ? 0.9039 0.4866 0.4677 -0.0419 -0.0350 -0.0509 468 HIS A CA 2323 C C . HIS A 386 ? 0.9499 0.5270 0.5071 -0.0359 -0.0252 -0.0491 468 HIS A C 2324 O O . HIS A 386 ? 1.0024 0.5878 0.5692 -0.0330 -0.0224 -0.0441 468 HIS A O 2325 C CB . HIS A 386 ? 0.8390 0.4287 0.4063 -0.0437 -0.0418 -0.0485 468 HIS A CB 2326 C CG . HIS A 386 ? 0.9179 0.5159 0.4953 -0.0489 -0.0512 -0.0491 468 HIS A CG 2327 N ND1 . HIS A 386 ? 1.0746 0.6662 0.6413 -0.0534 -0.0578 -0.0543 468 HIS A ND1 2328 C CD2 . HIS A 386 ? 0.8901 0.5027 0.4874 -0.0503 -0.0550 -0.0453 468 HIS A CD2 2329 C CE1 . HIS A 386 ? 1.0827 0.6846 0.6628 -0.0574 -0.0651 -0.0535 468 HIS A CE1 2330 N NE2 . HIS A 386 ? 0.9781 0.5926 0.5767 -0.0553 -0.0634 -0.0480 468 HIS A NE2 2331 N N . PHE A 387 ? 0.8407 0.4034 0.3816 -0.0340 -0.0199 -0.0533 469 PHE A N 2332 C CA . PHE A 387 ? 0.8795 0.4364 0.4142 -0.0277 -0.0097 -0.0517 469 PHE A CA 2333 C C . PHE A 387 ? 0.8820 0.4297 0.4111 -0.0264 -0.0042 -0.0549 469 PHE A C 2334 O O . PHE A 387 ? 0.9621 0.5046 0.4872 -0.0305 -0.0084 -0.0593 469 PHE A O 2335 C CB . PHE A 387 ? 0.9354 0.4824 0.4518 -0.0249 -0.0074 -0.0534 469 PHE A CB 2336 C CG . PHE A 387 ? 0.9656 0.4963 0.4600 -0.0258 -0.0079 -0.0602 469 PHE A CG 2337 C CD1 . PHE A 387 ? 1.0006 0.5293 0.4887 -0.0314 -0.0171 -0.0644 469 PHE A CD1 2338 C CD2 . PHE A 387 ? 0.9258 0.4433 0.4056 -0.0210 0.0008 -0.0627 469 PHE A CD2 2339 C CE1 . PHE A 387 ? 0.9170 0.4307 0.3842 -0.0325 -0.0179 -0.0712 469 PHE A CE1 2340 C CE2 . PHE A 387 ? 0.8866 0.3886 0.3453 -0.0217 0.0004 -0.0694 469 PHE A CE2 2341 C CZ . PHE A 387 ? 0.8373 0.3374 0.2895 -0.0277 -0.0091 -0.0738 469 PHE A CZ 2342 N N . ARG A 388 ? 0.7240 0.2694 0.2527 -0.0207 0.0052 -0.0526 470 ARG A N 2343 C CA . ARG A 388 ? 0.7948 0.3315 0.3188 -0.0188 0.0111 -0.0550 470 ARG A CA 2344 C C . ARG A 388 ? 0.8479 0.3756 0.3612 -0.0115 0.0217 -0.0542 470 ARG A C 2345 O O . ARG A 388 ? 0.9306 0.4664 0.4526 -0.0075 0.0264 -0.0493 470 ARG A O 2346 C CB . ARG A 388 ? 0.8485 0.3981 0.3924 -0.0200 0.0108 -0.0519 470 ARG A CB 2347 C CG . ARG A 388 ? 0.8590 0.4000 0.3990 -0.0194 0.0151 -0.0550 470 ARG A CG 2348 C CD . ARG A 388 ? 0.8727 0.4277 0.4326 -0.0211 0.0136 -0.0523 470 ARG A CD 2349 N NE . ARG A 388 ? 0.9351 0.5008 0.5061 -0.0271 0.0039 -0.0525 470 ARG A NE 2350 C CZ . ARG A 388 ? 1.0394 0.6182 0.6278 -0.0292 0.0011 -0.0506 470 ARG A CZ 2351 N NH1 . ARG A 388 ? 0.9335 0.5164 0.5299 -0.0260 0.0071 -0.0486 470 ARG A NH1 2352 N NH2 . ARG A 388 ? 1.1587 0.7467 0.7564 -0.0341 -0.0076 -0.0508 470 ARG A NH2 2353 N N . PRO A 389 ? 0.7440 0.2545 0.2384 -0.0098 0.0256 -0.0592 471 PRO A N 2354 C CA . PRO A 389 ? 0.9383 0.4387 0.4210 -0.0023 0.0363 -0.0589 471 PRO A CA 2355 C C . PRO A 389 ? 0.9518 0.4573 0.4468 0.0015 0.0434 -0.0552 471 PRO A C 2356 O O . PRO A 389 ? 1.0100 0.5150 0.5098 -0.0010 0.0422 -0.0567 471 PRO A O 2357 C CB . PRO A 389 ? 0.8983 0.3793 0.3587 -0.0028 0.0368 -0.0661 471 PRO A CB 2358 C CG . PRO A 389 ? 0.8702 0.3520 0.3289 -0.0106 0.0257 -0.0701 471 PRO A CG 2359 C CD . PRO A 389 ? 0.8979 0.3975 0.3801 -0.0149 0.0198 -0.0659 471 PRO A CD 2360 N N . TYR A 390 ? 0.8046 0.3153 0.3046 0.0075 0.0507 -0.0504 472 TYR A N 2361 C CA . TYR A 390 ? 0.8175 0.3338 0.3290 0.0118 0.0578 -0.0466 472 TYR A CA 2362 C C . TYR A 390 ? 0.8784 0.3857 0.3792 0.0203 0.0688 -0.0455 472 TYR A C 2363 O O . TYR A 390 ? 0.7353 0.2446 0.2337 0.0238 0.0717 -0.0434 472 TYR A O 2364 C CB . TYR A 390 ? 0.8973 0.4339 0.4317 0.0106 0.0553 -0.0409 472 TYR A CB 2365 C CG . TYR A 390 ? 0.8971 0.4443 0.4461 0.0043 0.0476 -0.0409 472 TYR A CG 2366 C CD1 . TYR A 390 ? 0.6523 0.2068 0.2068 -0.0018 0.0379 -0.0415 472 TYR A CD1 2367 C CD2 . TYR A 390 ? 0.8449 0.3954 0.4024 0.0049 0.0504 -0.0402 472 TYR A CD2 2368 C CE1 . TYR A 390 ? 0.7215 0.2863 0.2896 -0.0069 0.0312 -0.0415 472 TYR A CE1 2369 C CE2 . TYR A 390 ? 0.6371 0.1979 0.2079 -0.0003 0.0437 -0.0404 472 TYR A CE2 2370 C CZ . TYR A 390 ? 0.7401 0.3083 0.3163 -0.0061 0.0343 -0.0410 472 TYR A CZ 2371 O OH . TYR A 390 ? 0.6873 0.2661 0.2771 -0.0108 0.0280 -0.0411 472 TYR A OH 2372 N N . LEU A 391 ? 0.8934 0.3910 0.3881 0.0238 0.0752 -0.0467 473 LEU A N 2373 C CA . LEU A 391 ? 0.9851 0.4772 0.4744 0.0327 0.0866 -0.0443 473 LEU A CA 2374 C C . LEU A 391 ? 1.0560 0.5662 0.5665 0.0352 0.0892 -0.0376 473 LEU A C 2375 O O . LEU A 391 ? 1.1094 0.6328 0.6369 0.0307 0.0841 -0.0357 473 LEU A O 2376 C CB . LEU A 391 ? 1.0588 0.5376 0.5391 0.0356 0.0923 -0.0468 473 LEU A CB 2377 C CG . LEU A 391 ? 1.0440 0.5015 0.4998 0.0358 0.0931 -0.0536 473 LEU A CG 2378 C CD1 . LEU A 391 ? 0.9499 0.4004 0.3906 0.0408 0.0974 -0.0542 473 LEU A CD1 2379 C CD2 . LEU A 391 ? 1.1265 0.5810 0.5791 0.0266 0.0824 -0.0590 473 LEU A CD2 2380 N N . LYS A 392 ? 1.0683 0.5795 0.5777 0.0424 0.0973 -0.0344 474 LYS A N 2381 C CA . LYS A 392 ? 1.0671 0.5957 0.5960 0.0448 0.0996 -0.0284 474 LYS A CA 2382 C C . LYS A 392 ? 1.0758 0.6148 0.6217 0.0449 0.1008 -0.0252 474 LYS A C 2383 O O . LYS A 392 ? 0.9694 0.5250 0.5337 0.0424 0.0973 -0.0219 474 LYS A O 2384 C CB . LYS A 392 ? 0.9895 0.5166 0.5133 0.0532 0.1090 -0.0258 474 LYS A CB 2385 C CG . LYS A 392 ? 0.8942 0.4388 0.4364 0.0553 0.1108 -0.0204 474 LYS A CG 2386 C CD . LYS A 392 ? 0.9108 0.4532 0.4457 0.0633 0.1199 -0.0186 474 LYS A CD 2387 C CE . LYS A 392 ? 0.9264 0.4588 0.4524 0.0717 0.1303 -0.0179 474 LYS A CE 2388 N NZ . LYS A 392 ? 1.0366 0.5691 0.5592 0.0809 0.1409 -0.0135 474 LYS A NZ 2389 N N . PRO A 393 ? 1.0601 0.5893 0.5994 0.0478 0.1058 -0.0264 475 PRO A N 2390 C CA . PRO A 393 ? 1.0284 0.5677 0.5833 0.0475 0.1063 -0.0236 475 PRO A CA 2391 C C . PRO A 393 ? 1.0192 0.5637 0.5811 0.0390 0.0968 -0.0261 475 PRO A C 2392 O O . PRO A 393 ? 1.0438 0.6005 0.6213 0.0378 0.0956 -0.0238 475 PRO A O 2393 C CB . PRO A 393 ? 1.0094 0.5347 0.5529 0.0540 0.1153 -0.0242 475 PRO A CB 2394 C CG . PRO A 393 ? 0.9408 0.4522 0.4661 0.0594 0.1212 -0.0257 475 PRO A CG 2395 C CD . PRO A 393 ? 0.9970 0.5068 0.5157 0.0533 0.1131 -0.0293 475 PRO A CD 2396 N N . PHE A 394 ? 0.9832 0.5191 0.5341 0.0335 0.0901 -0.0309 476 PHE A N 2397 C CA . PHE A 394 ? 0.9609 0.5010 0.5179 0.0257 0.0812 -0.0336 476 PHE A CA 2398 C C . PHE A 394 ? 0.9058 0.4632 0.4784 0.0202 0.0725 -0.0317 476 PHE A C 2399 O O . PHE A 394 ? 0.8815 0.4447 0.4612 0.0142 0.0651 -0.0334 476 PHE A O 2400 C CB . PHE A 394 ? 1.0526 0.5754 0.5910 0.0222 0.0778 -0.0399 476 PHE A CB 2401 C CG . PHE A 394 ? 1.1352 0.6406 0.6588 0.0264 0.0852 -0.0427 476 PHE A CG 2402 C CD1 . PHE A 394 ? 1.2166 0.7241 0.7469 0.0312 0.0924 -0.0396 476 PHE A CD1 2403 C CD2 . PHE A 394 ? 1.1661 0.6528 0.6689 0.0256 0.0849 -0.0485 476 PHE A CD2 2404 C CE1 . PHE A 394 ? 1.3478 0.8385 0.8642 0.0354 0.0995 -0.0420 476 PHE A CE1 2405 C CE2 . PHE A 394 ? 1.2612 0.7309 0.7498 0.0296 0.0918 -0.0513 476 PHE A CE2 2406 C CZ . PHE A 394 ? 1.3627 0.8342 0.8582 0.0346 0.0992 -0.0479 476 PHE A CZ 2407 N N . LEU A 395 ? 0.9413 0.5065 0.5190 0.0224 0.0737 -0.0284 477 LEU A N 2408 C CA . LEU A 395 ? 0.8536 0.4353 0.4469 0.0179 0.0664 -0.0262 477 LEU A CA 2409 C C . LEU A 395 ? 0.8512 0.4490 0.4639 0.0173 0.0657 -0.0233 477 LEU A C 2410 O O . LEU A 395 ? 0.9094 0.5075 0.5250 0.0220 0.0727 -0.0215 477 LEU A O 2411 C CB . LEU A 395 ? 0.7050 0.2906 0.2993 0.0210 0.0689 -0.0234 477 LEU A CB 2412 C CG . LEU A 395 ? 0.7570 0.3332 0.3371 0.0193 0.0656 -0.0259 477 LEU A CG 2413 C CD1 . LEU A 395 ? 0.8060 0.3866 0.3880 0.0231 0.0696 -0.0229 477 LEU A CD1 2414 C CD2 . LEU A 395 ? 0.6023 0.1836 0.1864 0.0116 0.0546 -0.0278 477 LEU A CD2 2415 N N . PRO A 396 ? 0.7084 0.3196 0.3342 0.0118 0.0574 -0.0229 478 PRO A N 2416 C CA . PRO A 396 ? 0.6702 0.2985 0.3151 0.0111 0.0560 -0.0205 478 PRO A CA 2417 C C . PRO A 396 ? 0.6479 0.2849 0.3019 0.0164 0.0625 -0.0163 478 PRO A C 2418 O O . PRO A 396 ? 0.6270 0.2651 0.2802 0.0178 0.0636 -0.0147 478 PRO A O 2419 C CB . PRO A 396 ? 0.7133 0.3531 0.3679 0.0053 0.0463 -0.0205 478 PRO A CB 2420 C CG . PRO A 396 ? 0.6753 0.3022 0.3155 0.0017 0.0417 -0.0242 478 PRO A CG 2421 C CD . PRO A 396 ? 0.5520 0.1625 0.1745 0.0060 0.0486 -0.0251 478 PRO A CD 2422 N N . LYS A 397 ? 0.6713 0.3143 0.3339 0.0192 0.0667 -0.0148 479 LYS A N 2423 C CA . LYS A 397 ? 0.6542 0.3048 0.3253 0.0248 0.0735 -0.0110 479 LYS A CA 2424 C C . LYS A 397 ? 0.5745 0.2419 0.2609 0.0230 0.0697 -0.0088 479 LYS A C 2425 O O . LYS A 397 ? 0.4918 0.1636 0.1830 0.0272 0.0747 -0.0060 479 LYS A O 2426 C CB . LYS A 397 ? 0.6834 0.3376 0.3612 0.0277 0.0778 -0.0099 479 LYS A CB 2427 C CG . LYS A 397 ? 0.5136 0.1506 0.1763 0.0318 0.0847 -0.0110 479 LYS A CG 2428 C CD . LYS A 397 ? 0.6082 0.2365 0.2618 0.0385 0.0929 -0.0090 479 LYS A CD 2429 C CE . LYS A 397 ? 0.6092 0.2205 0.2480 0.0434 0.1004 -0.0099 479 LYS A CE 2430 N NZ . LYS A 397 ? 0.7539 0.3576 0.3845 0.0509 0.1090 -0.0076 479 LYS A NZ 2431 N N . ARG A 398 ? 0.5611 0.2377 0.2555 0.0172 0.0610 -0.0101 480 ARG A N 2432 C CA . ARG A 398 ? 0.4894 0.1818 0.1982 0.0152 0.0568 -0.0085 480 ARG A CA 2433 C C . ARG A 398 ? 0.5650 0.2535 0.2683 0.0161 0.0580 -0.0073 480 ARG A C 2434 O O . ARG A 398 ? 0.5902 0.2897 0.3042 0.0165 0.0581 -0.0055 480 ARG A O 2435 C CB . ARG A 398 ? 0.4363 0.1374 0.1529 0.0093 0.0471 -0.0102 480 ARG A CB 2436 C CG . ARG A 398 ? 0.5873 0.2773 0.2913 0.0055 0.0420 -0.0125 480 ARG A CG 2437 C CD . ARG A 398 ? 0.5524 0.2527 0.2659 0.0003 0.0326 -0.0134 480 ARG A CD 2438 N NE . ARG A 398 ? 0.5946 0.2845 0.2968 -0.0033 0.0274 -0.0156 480 ARG A NE 2439 C CZ . ARG A 398 ? 0.6332 0.3195 0.3296 -0.0051 0.0239 -0.0153 480 ARG A CZ 2440 N NH1 . ARG A 398 ? 0.6108 0.3027 0.3115 -0.0038 0.0252 -0.0129 480 ARG A NH1 2441 N NH2 . ARG A 398 ? 0.5992 0.2762 0.2856 -0.0084 0.0191 -0.0175 480 ARG A NH2 2442 N N . LEU A 399 ? 0.6027 0.2754 0.2891 0.0163 0.0591 -0.0088 481 LEU A N 2443 C CA . LEU A 399 ? 0.6830 0.3502 0.3623 0.0174 0.0606 -0.0080 481 LEU A CA 2444 C C . LEU A 399 ? 0.7653 0.4305 0.4440 0.0242 0.0704 -0.0056 481 LEU A C 2445 O O . LEU A 399 ? 0.8514 0.5190 0.5319 0.0256 0.0723 -0.0041 481 LEU A O 2446 C CB . LEU A 399 ? 0.7644 0.4153 0.4253 0.0157 0.0584 -0.0109 481 LEU A CB 2447 C CG . LEU A 399 ? 0.8318 0.4840 0.4926 0.0091 0.0484 -0.0131 481 LEU A CG 2448 C CD1 . LEU A 399 ? 0.9083 0.5436 0.5501 0.0080 0.0470 -0.0163 481 LEU A CD1 2449 C CD2 . LEU A 399 ? 0.7857 0.4508 0.4582 0.0056 0.0421 -0.0114 481 LEU A CD2 2450 N N . HIS A 400 ? 0.5533 0.4412 0.4874 0.0452 0.0296 -0.1095 482 HIS A N 2451 C CA . HIS A 400 ? 0.4862 0.3748 0.4195 0.0489 0.0363 -0.1092 482 HIS A CA 2452 C C . HIS A 400 ? 0.6087 0.4995 0.5350 0.0504 0.0404 -0.1139 482 HIS A C 2453 O O . HIS A 400 ? 0.5755 0.4707 0.5001 0.0516 0.0444 -0.1116 482 HIS A O 2454 C CB . HIS A 400 ? 0.3916 0.2849 0.3302 0.0491 0.0379 -0.1022 482 HIS A CB 2455 C CG . HIS A 400 ? 0.4255 0.3159 0.3693 0.0479 0.0356 -0.0979 482 HIS A CG 2456 N ND1 . HIS A 400 ? 0.5188 0.4047 0.4648 0.0501 0.0383 -0.0975 482 HIS A ND1 2457 C CD2 . HIS A 400 ? 0.3436 0.2349 0.2904 0.0445 0.0313 -0.0937 482 HIS A CD2 2458 C CE1 . HIS A 400 ? 0.5349 0.4190 0.4848 0.0475 0.0361 -0.0933 482 HIS A CE1 2459 N NE2 . HIS A 400 ? 0.4528 0.3400 0.4028 0.0443 0.0321 -0.0912 482 HIS A NE2 2460 N N . PHE A 401 ? 0.6875 0.5748 0.6089 0.0501 0.0397 -0.1207 483 PHE A N 2461 C CA . PHE A 401 ? 0.5891 0.4775 0.5013 0.0502 0.0430 -0.1256 483 PHE A CA 2462 C C . PHE A 401 ? 0.5473 0.4309 0.4540 0.0531 0.0460 -0.1329 483 PHE A C 2463 O O . PHE A 401 ? 0.5160 0.3973 0.4176 0.0512 0.0446 -0.1391 483 PHE A O 2464 C CB . PHE A 401 ? 0.5187 0.4089 0.4296 0.0450 0.0385 -0.1272 483 PHE A CB 2465 C CG . PHE A 401 ? 0.5244 0.4143 0.4227 0.0445 0.0420 -0.1307 483 PHE A CG 2466 C CD1 . PHE A 401 ? 0.4450 0.3379 0.3378 0.0458 0.0455 -0.1268 483 PHE A CD1 2467 C CD2 . PHE A 401 ? 0.5719 0.4578 0.4622 0.0427 0.0417 -0.1380 483 PHE A CD2 2468 C CE1 . PHE A 401 ? 0.4617 0.3532 0.3397 0.0458 0.0483 -0.1290 483 PHE A CE1 2469 C CE2 . PHE A 401 ? 0.5379 0.4220 0.4128 0.0427 0.0444 -0.1410 483 PHE A CE2 2470 C CZ . PHE A 401 ? 0.4995 0.3863 0.3676 0.0445 0.0476 -0.1364 483 PHE A CZ 2471 N N . ALA A 402 ? 0.4888 0.3708 0.3972 0.0577 0.0501 -0.1326 484 ALA A N 2472 C CA . ALA A 402 ? 0.4715 0.3486 0.3761 0.0611 0.0530 -0.1396 484 ALA A CA 2473 C C . ALA A 402 ? 0.5159 0.3958 0.4183 0.0665 0.0604 -0.1402 484 ALA A C 2474 O O . ALA A 402 ? 0.7025 0.5822 0.5969 0.0689 0.0647 -0.1463 484 ALA A O 2475 C CB . ALA A 402 ? 0.6466 0.5167 0.5575 0.0613 0.0491 -0.1405 484 ALA A CB 2476 N N . LYS A 403 ? 0.5475 0.4305 0.4572 0.0682 0.0621 -0.1338 485 LYS A N 2477 C CA . LYS A 403 ? 0.5043 0.3904 0.4153 0.0734 0.0686 -0.1337 485 LYS A CA 2478 C C . LYS A 403 ? 0.6206 0.5148 0.5259 0.0739 0.0742 -0.1316 485 LYS A C 2479 O O . LYS A 403 ? 0.7337 0.6338 0.6444 0.0747 0.0768 -0.1254 485 LYS A O 2480 C CB . LYS A 403 ? 0.4253 0.3117 0.3472 0.0748 0.0679 -0.1276 485 LYS A CB 2481 N N . SER A 404 ? 0.6894 0.5835 0.5832 0.0733 0.0761 -0.1368 486 SER A N 2482 C CA . SER A 404 ? 0.7668 0.6675 0.6522 0.0741 0.0825 -0.1357 486 SER A CA 2483 C C . SER A 404 ? 0.8629 0.7622 0.7362 0.0763 0.0866 -0.1444 486 SER A C 2484 O O . SER A 404 ? 0.8410 0.7339 0.7098 0.0749 0.0829 -0.1507 486 SER A O 2485 C CB . SER A 404 ? 0.7685 0.6708 0.6492 0.0692 0.0798 -0.1303 486 SER A CB 2486 O OG . SER A 404 ? 0.7145 0.6232 0.5881 0.0699 0.0864 -0.1275 486 SER A OG 2487 N N . ASP A 405 ? 0.9159 0.8218 0.7838 0.0795 0.0946 -0.1452 487 ASP A N 2488 C CA . ASP A 405 ? 0.8601 0.7659 0.7149 0.0816 0.0994 -0.1535 487 ASP A CA 2489 C C . ASP A 405 ? 0.6854 0.5884 0.5244 0.0771 0.0974 -0.1543 487 ASP A C 2490 O O . ASP A 405 ? 0.6167 0.5154 0.4452 0.0771 0.0972 -0.1622 487 ASP A O 2491 C CB . ASP A 405 ? 0.9471 0.8625 0.8005 0.0860 0.1090 -0.1535 487 ASP A CB 2492 C CG . ASP A 405 ? 1.1028 1.0207 0.9700 0.0918 0.1114 -0.1560 487 ASP A CG 2493 O OD1 . ASP A 405 ? 1.1562 1.0665 1.0287 0.0933 0.1069 -0.1608 487 ASP A OD1 2494 O OD2 . ASP A 405 ? 1.1676 1.0948 1.0404 0.0948 0.1176 -0.1531 487 ASP A OD2 2495 N N . ARG A 406 ? 0.6798 0.5849 0.5171 0.0734 0.0958 -0.1464 488 ARG A N 2496 C CA . ARG A 406 ? 0.6850 0.5874 0.5061 0.0695 0.0939 -0.1461 488 ARG A CA 2497 C C . ARG A 406 ? 0.6770 0.5713 0.4973 0.0657 0.0850 -0.1495 488 ARG A C 2498 O O . ARG A 406 ? 0.8924 0.7829 0.6978 0.0633 0.0831 -0.1526 488 ARG A O 2499 C CB . ARG A 406 ? 0.5745 0.4783 0.3921 0.0675 0.0959 -0.1361 488 ARG A CB 2500 C CG . ARG A 406 ? 0.5668 0.4769 0.3831 0.0708 0.1066 -0.1323 488 ARG A CG 2501 C CD . ARG A 406 ? 0.7581 0.6686 0.5755 0.0687 0.1088 -0.1219 488 ARG A CD 2502 N NE . ARG A 406 ? 0.7752 0.6944 0.5987 0.0716 0.1185 -0.1188 488 ARG A NE 2503 C CZ . ARG A 406 ? 0.9162 0.8382 0.7434 0.0702 0.1228 -0.1103 488 ARG A CZ 2504 N NH1 . ARG A 406 ? 0.8499 0.7816 0.6849 0.0729 0.1316 -0.1086 488 ARG A NH1 2505 N NH2 . ARG A 406 ? 1.0500 0.9654 0.8735 0.0662 0.1184 -0.1041 488 ARG A NH2 2506 N N . ILE A 407 ? 0.4551 0.3471 0.2911 0.0649 0.0795 -0.1489 489 ILE A N 2507 C CA . ILE A 407 ? 0.4917 0.3775 0.3298 0.0610 0.0717 -0.1525 489 ILE A CA 2508 C C . ILE A 407 ? 0.5299 0.4108 0.3627 0.0621 0.0719 -0.1629 489 ILE A C 2509 O O . ILE A 407 ? 0.5480 0.4287 0.3863 0.0661 0.0751 -0.1669 489 ILE A O 2510 C CB . ILE A 407 ? 0.6629 0.5485 0.5191 0.0597 0.0664 -0.1487 489 ILE A CB 2511 C CG1 . ILE A 407 ? 0.7541 0.6446 0.6163 0.0585 0.0660 -0.1390 489 ILE A CG1 2512 C CG2 . ILE A 407 ? 0.4131 0.2941 0.2725 0.0551 0.0591 -0.1524 489 ILE A CG2 2513 C CD1 . ILE A 407 ? 0.7496 0.6405 0.6282 0.0577 0.0614 -0.1347 489 ILE A CD1 2514 N N . GLU A 408 ? 0.6401 0.5165 0.4620 0.0585 0.0684 -0.1675 490 GLU A N 2515 C CA . GLU A 408 ? 0.7164 0.5874 0.5324 0.0585 0.0683 -0.1777 490 GLU A CA 2516 C C . GLU A 408 ? 0.7077 0.5750 0.5400 0.0573 0.0640 -0.1794 490 GLU A C 2517 O O . GLU A 408 ? 0.7394 0.6071 0.5837 0.0541 0.0588 -0.1743 490 GLU A O 2518 C CB . GLU A 408 ? 0.7696 0.6359 0.5699 0.0542 0.0646 -0.1810 490 GLU A CB 2519 C CG . GLU A 408 ? 0.8311 0.6986 0.6101 0.0560 0.0690 -0.1809 490 GLU A CG 2520 C CD . GLU A 408 ? 0.8717 0.7446 0.6485 0.0565 0.0710 -0.1707 490 GLU A CD 2521 O OE1 . GLU A 408 ? 0.9103 0.7838 0.6974 0.0538 0.0661 -0.1642 490 GLU A OE1 2522 O OE2 . GLU A 408 ? 0.8161 0.6928 0.5810 0.0593 0.0778 -0.1693 490 GLU A OE2 2523 N N . PRO A 409 ? 0.6972 0.5609 0.5296 0.0600 0.0663 -0.1868 491 PRO A N 2524 C CA . PRO A 409 ? 0.6782 0.5374 0.5242 0.0593 0.0626 -0.1894 491 PRO A CA 2525 C C . PRO A 409 ? 0.6982 0.5533 0.5468 0.0525 0.0566 -0.1914 491 PRO A C 2526 O O . PRO A 409 ? 0.7743 0.6270 0.6356 0.0509 0.0529 -0.1919 491 PRO A O 2527 C CB . PRO A 409 ? 0.6472 0.5028 0.4879 0.0634 0.0672 -0.1984 491 PRO A CB 2528 C CG . PRO A 409 ? 0.6214 0.4826 0.4520 0.0680 0.0743 -0.1977 491 PRO A CG 2529 C CD . PRO A 409 ? 0.6696 0.5342 0.4900 0.0646 0.0734 -0.1927 491 PRO A CD 2530 N N . LEU A 410 ? 0.6086 0.4626 0.4444 0.0485 0.0556 -0.1927 492 LEU A N 2531 C CA . LEU A 410 ? 0.6258 0.4754 0.4628 0.0414 0.0506 -0.1939 492 LEU A CA 2532 C C . LEU A 410 ? 0.6510 0.5036 0.4855 0.0382 0.0472 -0.1870 492 LEU A C 2533 O O . LEU A 410 ? 0.6603 0.5135 0.4796 0.0395 0.0480 -0.1865 492 LEU A O 2534 C CB . LEU A 410 ? 0.7323 0.5738 0.5535 0.0392 0.0511 -0.2033 492 LEU A CB 2535 C CG . LEU A 410 ? 0.8258 0.6601 0.6433 0.0318 0.0463 -0.2050 492 LEU A CG 2536 C CD1 . LEU A 410 ? 0.8192 0.6514 0.6548 0.0271 0.0454 -0.2032 492 LEU A CD1 2537 C CD2 . LEU A 410 ? 0.9221 0.7475 0.7209 0.0308 0.0463 -0.2145 492 LEU A CD2 2538 N N . THR A 411 ? 0.6872 0.5418 0.5365 0.0342 0.0436 -0.1819 493 THR A N 2539 C CA . THR A 411 ? 0.6278 0.4847 0.4767 0.0308 0.0403 -0.1755 493 THR A CA 2540 C C . THR A 411 ? 0.6070 0.4573 0.4561 0.0233 0.0367 -0.1766 493 THR A C 2541 O O . THR A 411 ? 0.6232 0.4670 0.4739 0.0202 0.0375 -0.1814 493 THR A O 2542 C CB . THR A 411 ? 0.6028 0.4677 0.4673 0.0326 0.0398 -0.1669 493 THR A CB 2543 O OG1 . THR A 411 ? 0.8006 0.6670 0.6822 0.0313 0.0383 -0.1665 493 THR A OG1 2544 C CG2 . THR A 411 ? 0.4522 0.3210 0.3132 0.0396 0.0441 -0.1647 493 THR A CG2 2545 N N . PHE A 412 ? 0.6104 0.4607 0.4562 0.0206 0.0328 -0.1720 494 PHE A N 2546 C CA . PHE A 412 ? 0.7336 0.5759 0.5764 0.0145 0.0286 -0.1721 494 PHE A CA 2547 C C . PHE A 412 ? 0.6792 0.5244 0.5320 0.0117 0.0266 -0.1636 494 PHE A C 2548 O O . PHE A 412 ? 0.5984 0.4499 0.4515 0.0139 0.0250 -0.1593 494 PHE A O 2549 C CB . PHE A 412 ? 0.8617 0.6983 0.6848 0.0149 0.0229 -0.1776 494 PHE A CB 2550 C CG . PHE A 412 ? 0.9219 0.7527 0.7327 0.0163 0.0243 -0.1866 494 PHE A CG 2551 C CD1 . PHE A 412 ? 0.8766 0.6979 0.6847 0.0126 0.0224 -0.1921 494 PHE A CD1 2552 C CD2 . PHE A 412 ? 0.9310 0.7649 0.7312 0.0214 0.0276 -0.1896 494 PHE A CD2 2553 C CE1 . PHE A 412 ? 0.9033 0.7189 0.6999 0.0138 0.0236 -0.2009 494 PHE A CE1 2554 C CE2 . PHE A 412 ? 0.9101 0.7386 0.6981 0.0228 0.0292 -0.1982 494 PHE A CE2 2555 C CZ . PHE A 412 ? 0.9268 0.7462 0.7136 0.0189 0.0270 -0.2041 494 PHE A CZ 2556 N N . TYR A 413 ? 0.4266 0.2648 0.2842 0.0070 0.0268 -0.1607 495 TYR A N 2557 C CA . TYR A 413 ? 0.4883 0.3260 0.3506 0.0047 0.0241 -0.1527 495 TYR A CA 2558 C C . TYR A 413 ? 0.5549 0.3865 0.4086 0.0032 0.0149 -0.1558 495 TYR A C 2559 O O . TYR A 413 ? 0.6012 0.4242 0.4489 0.0016 0.0120 -0.1612 495 TYR A O 2560 C CB . TYR A 413 ? 0.4062 0.2361 0.2727 0.0027 0.0281 -0.1458 495 TYR A CB 2561 C CG . TYR A 413 ? 0.6236 0.4518 0.4916 0.0027 0.0236 -0.1373 495 TYR A CG 2562 C CD1 . TYR A 413 ? 0.6271 0.4645 0.5039 0.0035 0.0268 -0.1307 495 TYR A CD1 2563 C CD2 . TYR A 413 ? 0.3967 0.2192 0.2628 0.0022 0.0152 -0.1383 495 TYR A CD2 2564 C CE1 . TYR A 413 ? 0.5873 0.4239 0.4656 0.0045 0.0216 -0.1238 495 TYR A CE1 2565 C CE2 . TYR A 413 ? 0.3810 0.2085 0.2552 0.0026 0.0104 -0.1337 495 TYR A CE2 2566 C CZ . TYR A 413 ? 0.5148 0.3484 0.3937 0.0041 0.0133 -0.1261 495 TYR A CZ 2567 O OH . TYR A 413 ? 0.4118 0.2518 0.3001 0.0043 0.0087 -0.1225 495 TYR A OH 2568 N N . LEU A 414 ? 0.6267 0.4640 0.4815 0.0040 0.0096 -0.1535 496 LEU A N 2569 C CA . LEU A 414 ? 0.7234 0.5596 0.5745 0.0036 -0.0007 -0.1571 496 LEU A CA 2570 C C . LEU A 414 ? 0.7702 0.6111 0.6330 0.0029 -0.0061 -0.1517 496 LEU A C 2571 O O . LEU A 414 ? 0.8486 0.6932 0.7183 0.0030 -0.0025 -0.1449 496 LEU A O 2572 C CB . LEU A 414 ? 0.6727 0.5132 0.5148 0.0072 -0.0061 -0.1587 496 LEU A CB 2573 C CG . LEU A 414 ? 0.7145 0.5504 0.5423 0.0087 -0.0055 -0.1661 496 LEU A CG 2574 C CD1 . LEU A 414 ? 0.5563 0.3946 0.3809 0.0110 0.0037 -0.1659 496 LEU A CD1 2575 C CD2 . LEU A 414 ? 0.7469 0.5829 0.5632 0.0116 -0.0159 -0.1684 496 LEU A CD2 2576 N N . ASP A 415 ? 0.6933 0.5358 0.5599 0.0025 -0.0151 -0.1556 497 ASP A N 2577 C CA . ASP A 415 ? 0.5957 0.4468 0.4769 0.0025 -0.0217 -0.1529 497 ASP A CA 2578 C C . ASP A 415 ? 0.7211 0.5798 0.6044 0.0053 -0.0262 -0.1487 497 ASP A C 2579 O O . ASP A 415 ? 0.7994 0.6561 0.6714 0.0075 -0.0268 -0.1493 497 ASP A O 2580 C CB . ASP A 415 ? 0.5619 0.4155 0.4486 0.0018 -0.0305 -0.1601 497 ASP A CB 2581 C CG . ASP A 415 ? 0.6341 0.4810 0.5217 -0.0012 -0.0271 -0.1638 497 ASP A CG 2582 O OD1 . ASP A 415 ? 0.6283 0.4658 0.5081 -0.0021 -0.0183 -0.1614 497 ASP A OD1 2583 O OD2 . ASP A 415 ? 0.7045 0.5553 0.6011 -0.0025 -0.0334 -0.1694 497 ASP A OD2 2584 N N . PRO A 416 ? 0.7392 0.6065 0.6368 0.0056 -0.0293 -0.1445 498 PRO A N 2585 C CA . PRO A 416 ? 0.7454 0.6188 0.6454 0.0085 -0.0344 -0.1406 498 PRO A CA 2586 C C . PRO A 416 ? 0.6462 0.5197 0.5401 0.0116 -0.0446 -0.1453 498 PRO A C 2587 O O . PRO A 416 ? 0.5514 0.4252 0.4475 0.0113 -0.0501 -0.1516 498 PRO A O 2588 C CB . PRO A 416 ? 0.6476 0.5315 0.5666 0.0082 -0.0372 -0.1378 498 PRO A CB 2589 C CG . PRO A 416 ? 0.5533 0.4369 0.4791 0.0050 -0.0327 -0.1395 498 PRO A CG 2590 C CD . PRO A 416 ? 0.6411 0.5125 0.5523 0.0034 -0.0272 -0.1427 498 PRO A CD 2591 N N . GLN A 417 ? 0.6622 0.5345 0.5477 0.0145 -0.0473 -0.1421 499 GLN A N 2592 C CA . GLN A 417 ? 0.6834 0.5534 0.5595 0.0183 -0.0576 -0.1451 499 GLN A CA 2593 C C . GLN A 417 ? 0.6421 0.5041 0.5011 0.0184 -0.0576 -0.1511 499 GLN A C 2594 O O . GLN A 417 ? 0.7225 0.5825 0.5744 0.0211 -0.0671 -0.1552 499 GLN A O 2595 C CB . GLN A 417 ? 0.7019 0.5796 0.5928 0.0201 -0.0684 -0.1482 499 GLN A CB 2596 C CG . GLN A 417 ? 0.6693 0.5563 0.5780 0.0206 -0.0691 -0.1433 499 GLN A CG 2597 C CD . GLN A 417 ? 0.6166 0.5132 0.5426 0.0228 -0.0788 -0.1476 499 GLN A CD 2598 O OE1 . GLN A 417 ? 0.5255 0.4217 0.4508 0.0237 -0.0850 -0.1543 499 GLN A OE1 2599 N NE2 . GLN A 417 ? 0.6749 0.5809 0.6175 0.0238 -0.0799 -0.1443 499 GLN A NE2 2600 N N . TRP A 418 ? 0.5710 0.4286 0.4239 0.0158 -0.0472 -0.1518 500 TRP A N 2601 C CA . TRP A 418 ? 0.5876 0.4382 0.4251 0.0159 -0.0460 -0.1580 500 TRP A CA 2602 C C . TRP A 418 ? 0.7533 0.6001 0.5774 0.0167 -0.0372 -0.1561 500 TRP A C 2603 O O . TRP A 418 ? 0.9335 0.7824 0.7640 0.0152 -0.0280 -0.1518 500 TRP A O 2604 C CB . TRP A 418 ? 0.6045 0.4531 0.4480 0.0123 -0.0427 -0.1635 500 TRP A CB 2605 C CG . TRP A 418 ? 0.6634 0.5153 0.5158 0.0122 -0.0528 -0.1687 500 TRP A CG 2606 C CD1 . TRP A 418 ? 0.7388 0.5990 0.6095 0.0117 -0.0571 -0.1672 500 TRP A CD1 2607 C CD2 . TRP A 418 ? 0.7012 0.5495 0.5458 0.0130 -0.0598 -0.1768 500 TRP A CD2 2608 N NE1 . TRP A 418 ? 0.7015 0.5643 0.5778 0.0122 -0.0662 -0.1742 500 TRP A NE1 2609 C CE2 . TRP A 418 ? 0.7195 0.5747 0.5797 0.0129 -0.0683 -0.1801 500 TRP A CE2 2610 C CE3 . TRP A 418 ? 0.6759 0.5166 0.5022 0.0140 -0.0599 -0.1820 500 TRP A CE3 2611 C CZ2 . TRP A 418 ? 0.6981 0.5525 0.5567 0.0137 -0.0770 -0.1884 500 TRP A CZ2 2612 C CZ3 . TRP A 418 ? 0.5853 0.4244 0.4084 0.0146 -0.0687 -0.1900 500 TRP A CZ3 2613 C CH2 . TRP A 418 ? 0.5938 0.4396 0.4333 0.0144 -0.0773 -0.1931 500 TRP A CH2 2614 N N . GLN A 419 ? 0.7570 0.5988 0.5628 0.0193 -0.0403 -0.1595 501 GLN A N 2615 C CA . GLN A 419 ? 0.7916 0.6310 0.5837 0.0207 -0.0324 -0.1588 501 GLN A CA 2616 C C . GLN A 419 ? 0.8514 0.6855 0.6312 0.0207 -0.0307 -0.1668 501 GLN A C 2617 O O . GLN A 419 ? 0.8615 0.6928 0.6394 0.0202 -0.0380 -0.1726 501 GLN A O 2618 C CB . GLN A 419 ? 0.7051 0.5427 0.4823 0.0244 -0.0369 -0.1541 501 GLN A CB 2619 C CG . GLN A 419 ? 0.6781 0.5196 0.4657 0.0247 -0.0391 -0.1464 501 GLN A CG 2620 C CD . GLN A 419 ? 0.6871 0.5219 0.4551 0.0299 -0.0445 -0.1416 501 GLN A CD 2621 O OE1 . GLN A 419 ? 0.6499 0.4804 0.4119 0.0329 -0.0563 -0.1406 501 GLN A OE1 2622 N NE2 . GLN A 419 ? 0.6649 0.4960 0.4202 0.0324 -0.0371 -0.1384 501 GLN A NE2 2623 N N . LEU A 420 ? 0.8077 0.6411 0.5801 0.0216 -0.0214 -0.1677 502 LEU A N 2624 C CA . LEU A 420 ? 0.7409 0.5696 0.5016 0.0218 -0.0190 -0.1757 502 LEU A CA 2625 C C . LEU A 420 ? 0.7697 0.5968 0.5096 0.0257 -0.0161 -0.1756 502 LEU A C 2626 O O . LEU A 420 ? 0.7034 0.5341 0.4423 0.0275 -0.0104 -0.1696 502 LEU A O 2627 C CB . LEU A 420 ? 0.7515 0.5808 0.5253 0.0190 -0.0095 -0.1788 502 LEU A CB 2628 C CG . LEU A 420 ? 0.6858 0.5092 0.4515 0.0184 -0.0071 -0.1880 502 LEU A CG 2629 C CD1 . LEU A 420 ? 0.6783 0.4991 0.4593 0.0139 -0.0032 -0.1906 502 LEU A CD1 2630 C CD2 . LEU A 420 ? 0.6124 0.4368 0.3678 0.0217 0.0012 -0.1899 502 LEU A CD2 2631 N N . ALA A 421 ? 0.9666 0.7882 0.6889 0.0269 -0.0199 -0.1821 503 ALA A N 2632 C CA . ALA A 421 ? 1.0827 0.9022 0.7823 0.0304 -0.0169 -0.1825 503 ALA A CA 2633 C C . ALA A 421 ? 1.1853 0.9997 0.8721 0.0306 -0.0168 -0.1923 503 ALA A C 2634 O O . ALA A 421 ? 1.1963 1.0077 0.8897 0.0282 -0.0216 -0.1984 503 ALA A O 2635 C CB . ALA A 421 ? 1.0748 0.8880 0.7546 0.0348 -0.0267 -0.1769 503 ALA A CB 2636 N N . LEU A 422 ? 1.1969 1.0098 0.8646 0.0336 -0.0113 -0.1939 504 LEU A N 2637 C CA . LEU A 422 ? 1.1454 0.9540 0.7994 0.0338 -0.0107 -0.2036 504 LEU A CA 2638 C C . LEU A 422 ? 1.0951 0.8965 0.7297 0.0353 -0.0234 -0.2063 504 LEU A C 2639 O O . LEU A 422 ? 0.9866 0.7851 0.6245 0.0330 -0.0293 -0.2136 504 LEU A O 2640 C CB . LEU A 422 ? 1.1079 0.9165 0.7457 0.0378 -0.0010 -0.2042 504 LEU A CB 2641 C CG . LEU A 422 ? 1.0101 0.8147 0.6318 0.0384 0.0008 -0.2146 504 LEU A CG 2642 C CD1 . LEU A 422 ? 0.9825 0.7855 0.6214 0.0350 0.0022 -0.2232 504 LEU A CD1 2643 C CD2 . LEU A 422 ? 0.9507 0.7565 0.5571 0.0427 0.0113 -0.2143 504 LEU A CD2 2644 N N . ASN A 423 ? 1.1858 0.9817 0.7976 0.0404 -0.0284 -0.2000 505 ASN A N 2645 C CA . ASN A 423 ? 1.1535 0.9414 0.7445 0.0430 -0.0416 -0.2012 505 ASN A CA 2646 C C . ASN A 423 ? 1.1243 0.9093 0.7136 0.0455 -0.0507 -0.1917 505 ASN A C 2647 O O . ASN A 423 ? 1.0422 0.8282 0.6339 0.0466 -0.0453 -0.1832 505 ASN A O 2648 C CB . ASN A 423 ? 1.0381 0.8189 0.5960 0.0471 -0.0396 -0.2034 505 ASN A CB 2649 N N . PRO A 424 ? 1.1384 0.9195 0.7238 0.0465 -0.0650 -0.1933 506 PRO A N 2650 C CA . PRO A 424 ? 1.1573 0.9346 0.7411 0.0494 -0.0756 -0.1852 506 PRO A CA 2651 C C . PRO A 424 ? 1.2608 1.0279 0.8148 0.0544 -0.0752 -0.1762 506 PRO A C 2652 O O . PRO A 424 ? 1.2265 0.9889 0.7783 0.0567 -0.0826 -0.1684 506 PRO A O 2653 C CB . PRO A 424 ? 0.7404 0.5148 0.3211 0.0505 -0.0906 -0.1911 506 PRO A CB 2654 C CG . PRO A 424 ? 0.7362 0.5166 0.3312 0.0457 -0.0866 -0.2016 506 PRO A CG 2655 C CD . PRO A 424 ? 1.1502 0.9309 0.7367 0.0447 -0.0721 -0.2035 506 PRO A CD 2656 N N . SER A 425 ? 1.4205 1.1840 0.9521 0.0557 -0.0664 -0.1772 507 SER A N 2657 C CA . SER A 425 ? 1.5069 1.2606 1.0083 0.0594 -0.0638 -0.1681 507 SER A CA 2658 C C . SER A 425 ? 1.4528 1.2101 0.9616 0.0585 -0.0505 -0.1604 507 SER A C 2659 O O . SER A 425 ? 1.3873 1.1368 0.8801 0.0604 -0.0500 -0.1502 507 SER A O 2660 C CB . SER A 425 ? 1.5445 1.2930 1.0161 0.0611 -0.0602 -0.1727 507 SER A CB 2661 O OG . SER A 425 ? 1.4686 1.2258 0.9506 0.0587 -0.0471 -0.1798 507 SER A OG 2662 N N . GLU A 426 ? 1.5067 1.2751 1.0395 0.0554 -0.0397 -0.1650 508 GLU A N 2663 C CA . GLU A 426 ? 1.5728 1.3460 1.1148 0.0548 -0.0269 -0.1587 508 GLU A CA 2664 C C . GLU A 426 ? 1.6271 1.4007 1.1854 0.0541 -0.0311 -0.1506 508 GLU A C 2665 O O . GLU A 426 ? 1.5777 1.3480 1.1288 0.0551 -0.0252 -0.1416 508 GLU A O 2666 C CB . GLU A 426 ? 1.5335 1.3184 1.0991 0.0519 -0.0161 -0.1662 508 GLU A CB 2667 N N . ARG A 427 ? 1.7015 1.4793 1.2817 0.0522 -0.0408 -0.1539 509 ARG A N 2668 C CA . ARG A 427 ? 1.7181 1.4979 1.3169 0.0513 -0.0453 -0.1477 509 ARG A CA 2669 C C . ARG A 427 ? 1.8770 1.6439 1.4530 0.0549 -0.0535 -0.1385 509 ARG A C 2670 O O . ARG A 427 ? 2.0038 1.7604 1.5534 0.0578 -0.0608 -0.1383 509 ARG A O 2671 C CB . ARG A 427 ? 1.6125 1.3998 1.2375 0.0483 -0.0541 -0.1537 509 ARG A CB 2672 C CG . ARG A 427 ? 1.6388 1.4199 1.2508 0.0503 -0.0679 -0.1582 509 ARG A CG 2673 C CD . ARG A 427 ? 1.6661 1.4550 1.3052 0.0476 -0.0765 -0.1623 509 ARG A CD 2674 N NE . ARG A 427 ? 1.8331 1.6166 1.4610 0.0501 -0.0903 -0.1668 509 ARG A NE 2675 C CZ . ARG A 427 ? 1.9713 1.7467 1.5873 0.0546 -0.1031 -0.1622 509 ARG A CZ 2676 N NH1 . ARG A 427 ? 2.0037 1.7745 1.6165 0.0567 -0.1036 -0.1530 509 ARG A NH1 2677 N NH2 . ARG A 427 ? 2.0186 1.7899 1.6258 0.0572 -0.1159 -0.1670 509 ARG A NH2 2678 N N . LYS A 428 ? 1.8146 1.5814 1.4005 0.0546 -0.0524 -0.1309 510 LYS A N 2679 C CA . LYS A 428 ? 1.7628 1.5164 1.3295 0.0574 -0.0602 -0.1217 510 LYS A CA 2680 C C . LYS A 428 ? 1.7465 1.4973 1.3187 0.0590 -0.0776 -0.1238 510 LYS A C 2681 O O . LYS A 428 ? 1.7589 1.4979 1.3065 0.0622 -0.0873 -0.1221 510 LYS A O 2682 C CB . LYS A 428 ? 1.6714 1.4259 1.2493 0.0562 -0.0541 -0.1138 510 LYS A CB 2683 N N . TYR A 429 ? 1.6698 1.4321 1.2748 0.0568 -0.0812 -0.1275 511 TYR A N 2684 C CA . TYR A 429 ? 1.5715 1.3347 1.1876 0.0581 -0.0964 -0.1307 511 TYR A CA 2685 C C . TYR A 429 ? 1.4980 1.2783 1.1513 0.0537 -0.0943 -0.1371 511 TYR A C 2686 O O . TYR A 429 ? 1.5258 1.3152 1.1975 0.0500 -0.0832 -0.1362 511 TYR A O 2687 C CB . TYR A 429 ? 1.4894 1.2427 1.0998 0.0612 -0.1065 -0.1224 511 TYR A CB 2688 C CG . TYR A 429 ? 1.5042 1.2563 1.1212 0.0641 -0.1234 -0.1253 511 TYR A CG 2689 C CD1 . TYR A 429 ? 1.6189 1.3615 1.2131 0.0676 -0.1331 -0.1278 511 TYR A CD1 2690 C CD2 . TYR A 429 ? 1.4677 1.2286 1.1141 0.0636 -0.1293 -0.1257 511 TYR A CD2 2691 C CE1 . TYR A 429 ? 1.6638 1.4054 1.2649 0.0709 -0.1489 -0.1308 511 TYR A CE1 2692 C CE2 . TYR A 429 ? 1.4963 1.2571 1.1504 0.0668 -0.1443 -0.1287 511 TYR A CE2 2693 C CZ . TYR A 429 ? 1.6117 1.3627 1.2435 0.0706 -0.1543 -0.1313 511 TYR A CZ 2694 O OH . TYR A 429 ? 1.6372 1.3881 1.2776 0.0744 -0.1694 -0.1346 511 TYR A OH 2695 N N . CYS A 430 ? 1.4211 1.2054 1.0849 0.0538 -0.1046 -0.1433 512 CYS A N 2696 C CA . CYS A 430 ? 1.3136 1.1131 1.0095 0.0486 -0.1014 -0.1492 512 CYS A CA 2697 C C . CYS A 430 ? 1.1301 0.9371 0.8513 0.0481 -0.1070 -0.1465 512 CYS A C 2698 O O . CYS A 430 ? 1.1341 0.9532 0.8810 0.0429 -0.0996 -0.1475 512 CYS A O 2699 C CB . CYS A 430 ? 1.3251 1.1260 1.0195 0.0480 -0.1070 -0.1583 512 CYS A CB 2700 S SG . CYS A 430 ? 1.3838 1.1766 1.0668 0.0544 -0.1273 -0.1597 512 CYS A SG 2701 N N . GLY A 431 ? 0.9977 0.7968 0.7108 0.0533 -0.1200 -0.1429 513 GLY A N 2702 C CA . GLY A 431 ? 0.9152 0.7216 0.6524 0.0537 -0.1264 -0.1411 513 GLY A CA 2703 C C . GLY A 431 ? 0.9236 0.7257 0.6605 0.0552 -0.1255 -0.1325 513 GLY A C 2704 O O . GLY A 431 ? 0.8182 0.6188 0.5628 0.0584 -0.1356 -0.1299 513 GLY A O 2705 N N . SER A 432 ? 0.9586 0.7583 0.6872 0.0530 -0.1135 -0.1284 514 SER A N 2706 C CA . SER A 432 ? 0.8388 0.6340 0.5667 0.0537 -0.1113 -0.1204 514 SER A CA 2707 C C . SER A 432 ? 0.7566 0.5668 0.5118 0.0483 -0.0993 -0.1200 514 SER A C 2708 O O . SER A 432 ? 0.7890 0.6101 0.5580 0.0437 -0.0905 -0.1248 514 SER A O 2709 C CB . SER A 432 ? 0.9093 0.6885 0.6037 0.0558 -0.1069 -0.1148 514 SER A CB 2710 O OG . SER A 432 ? 1.0728 0.8353 0.7407 0.0608 -0.1192 -0.1117 514 SER A OG 2711 N N . GLY A 433 ? 0.6706 0.4800 0.4328 0.0487 -0.0992 -0.1139 515 GLY A N 2712 C CA . GLY A 433 ? 0.6178 0.4402 0.4034 0.0438 -0.0881 -0.1126 515 GLY A CA 2713 C C . GLY A 433 ? 0.6560 0.4775 0.4323 0.0416 -0.0743 -0.1120 515 GLY A C 2714 O O . GLY A 433 ? 0.6712 0.4794 0.4217 0.0445 -0.0726 -0.1083 515 GLY A O 2715 N N . PHE A 434 ? 0.5879 0.4226 0.3842 0.0363 -0.0640 -0.1154 516 PHE A N 2716 C CA . PHE A 434 ? 0.4949 0.3306 0.2866 0.0344 -0.0510 -0.1158 516 PHE A CA 2717 C C . PHE A 434 ? 0.5333 0.3810 0.3494 0.0296 -0.0407 -0.1140 516 PHE A C 2718 O O . PHE A 434 ? 0.5472 0.4029 0.3830 0.0270 -0.0427 -0.1125 516 PHE A O 2719 C CB . PHE A 434 ? 0.4453 0.2821 0.2320 0.0329 -0.0483 -0.1227 516 PHE A CB 2720 C CG . PHE A 434 ? 0.5103 0.3588 0.3209 0.0269 -0.0451 -0.1273 516 PHE A CG 2721 C CD1 . PHE A 434 ? 0.5276 0.3786 0.3464 0.0266 -0.0546 -0.1299 516 PHE A CD1 2722 C CD2 . PHE A 434 ? 0.5926 0.4466 0.4145 0.0231 -0.0338 -0.1287 516 PHE A CD2 2723 C CE1 . PHE A 434 ? 0.5511 0.4073 0.3857 0.0243 -0.0543 -0.1338 516 PHE A CE1 2724 C CE2 . PHE A 434 ? 0.6090 0.4664 0.4450 0.0204 -0.0336 -0.1321 516 PHE A CE2 2725 C CZ . PHE A 434 ? 0.5672 0.4258 0.4092 0.0209 -0.0436 -0.1346 516 PHE A CZ 2726 N N . HIS A 435 ? 0.5424 0.3916 0.3566 0.0287 -0.0295 -0.1140 517 HIS A N 2727 C CA . HIS A 435 ? 0.5074 0.3674 0.3435 0.0243 -0.0195 -0.1128 517 HIS A CA 2728 C C . HIS A 435 ? 0.5431 0.4049 0.3768 0.0239 -0.0094 -0.1159 517 HIS A C 2729 O O . HIS A 435 ? 0.6123 0.4666 0.4256 0.0275 -0.0094 -0.1180 517 HIS A O 2730 C CB . HIS A 435 ? 0.5100 0.3696 0.3497 0.0259 -0.0187 -0.1062 517 HIS A CB 2731 C CG . HIS A 435 ? 0.5610 0.4076 0.3753 0.0314 -0.0188 -0.1024 517 HIS A CG 2732 N ND1 . HIS A 435 ? 0.5821 0.4271 0.3875 0.0330 -0.0087 -0.1017 517 HIS A ND1 2733 C CD2 . HIS A 435 ? 0.6543 0.4873 0.4480 0.0353 -0.0268 -0.0985 517 HIS A CD2 2734 C CE1 . HIS A 435 ? 0.7069 0.5379 0.4861 0.0370 -0.0089 -0.0969 517 HIS A CE1 2735 N NE2 . HIS A 435 ? 0.7048 0.5271 0.4754 0.0383 -0.0200 -0.0947 517 HIS A NE2 2736 N N . GLY A 436 ? 0.5740 0.4439 0.4263 0.0206 -0.0016 -0.1160 518 GLY A N 2737 C CA . GLY A 436 ? 0.6539 0.5256 0.5064 0.0212 0.0064 -0.1195 518 GLY A CA 2738 C C . GLY A 436 ? 0.5983 0.4707 0.4621 0.0179 0.0082 -0.1233 518 GLY A C 2739 O O . GLY A 436 ? 0.5781 0.4520 0.4452 0.0182 0.0142 -0.1267 518 GLY A O 2740 N N . SER A 437 ? 0.4555 0.3264 0.3247 0.0151 0.0025 -0.1227 519 SER A N 2741 C CA . SER A 437 ? 0.4629 0.3318 0.3396 0.0116 0.0039 -0.1249 519 SER A CA 2742 C C . SER A 437 ? 0.5294 0.4016 0.4189 0.0097 0.0115 -0.1205 519 SER A C 2743 O O . SER A 437 ? 0.5967 0.4752 0.4925 0.0114 0.0149 -0.1164 519 SER A O 2744 C CB . SER A 437 ? 0.5679 0.4362 0.4474 0.0108 -0.0055 -0.1245 519 SER A CB 2745 O OG . SER A 437 ? 0.6890 0.5545 0.5576 0.0128 -0.0134 -0.1288 519 SER A OG 2746 N N . ASP A 438 ? 0.5577 0.4255 0.4502 0.0072 0.0126 -0.1200 520 ASP A N 2747 C CA . ASP A 438 ? 0.5529 0.4204 0.4527 0.0062 0.0180 -0.1134 520 ASP A CA 2748 C C . ASP A 438 ? 0.5835 0.4554 0.4899 0.0068 0.0168 -0.1064 520 ASP A C 2749 O O . ASP A 438 ? 0.6714 0.5446 0.5790 0.0068 0.0100 -0.1066 520 ASP A O 2750 C CB . ASP A 438 ? 0.5447 0.4028 0.4404 0.0053 0.0151 -0.1137 520 ASP A CB 2751 C CG . ASP A 438 ? 0.5548 0.4076 0.4505 0.0075 0.0172 -0.1066 520 ASP A CG 2752 O OD1 . ASP A 438 ? 0.7053 0.5584 0.6007 0.0092 0.0229 -0.1010 520 ASP A OD1 2753 O OD2 . ASP A 438 ? 0.4682 0.3185 0.3661 0.0081 0.0120 -0.1079 520 ASP A OD2 2754 N N . ASN A 439 ? 0.4074 0.2831 0.3200 0.0072 0.0231 -0.1012 521 ASN A N 2755 C CA . ASN A 439 ? 0.4559 0.3352 0.3736 0.0080 0.0224 -0.0945 521 ASN A CA 2756 C C . ASN A 439 ? 0.5041 0.3793 0.4211 0.0096 0.0160 -0.0901 521 ASN A C 2757 O O . ASN A 439 ? 0.5631 0.4432 0.4862 0.0106 0.0142 -0.0859 521 ASN A O 2758 C CB . ASN A 439 ? 0.3730 0.2649 0.3055 0.0083 0.0293 -0.0937 521 ASN A CB 2759 C CG . ASN A 439 ? 0.4464 0.3388 0.3846 0.0073 0.0345 -0.0939 521 ASN A CG 2760 O OD1 . ASN A 439 ? 0.6013 0.4584 0.4981 0.0168 0.0250 -0.0854 521 ASN A OD1 2761 N ND2 . ASN A 439 ? 0.2909 0.2075 0.2452 0.0309 0.0095 -0.0991 521 ASN A ND2 2762 N N . LEU A 440 ? 0.4516 0.3231 0.3674 0.0094 0.0124 -0.0937 522 LEU A N 2763 C CA . LEU A 440 ? 0.4167 0.2934 0.3427 0.0089 0.0073 -0.0946 522 LEU A CA 2764 C C . LEU A 440 ? 0.4094 0.2947 0.3443 0.0066 0.0008 -0.0992 522 LEU A C 2765 O O . LEU A 440 ? 0.2505 0.1463 0.1996 0.0055 -0.0031 -0.1000 522 LEU A O 2766 C CB . LEU A 440 ? 0.4167 0.2895 0.3429 0.0096 0.0074 -0.0961 522 LEU A CB 2767 C CG . LEU A 440 ? 0.4130 0.2853 0.3397 0.0136 0.0097 -0.0914 522 LEU A CG 2768 C CD1 . LEU A 440 ? 0.3473 0.2176 0.2780 0.0131 0.0093 -0.0948 522 LEU A CD1 2769 C CD2 . LEU A 440 ? 0.3404 0.2216 0.2765 0.0136 0.0098 -0.0869 522 LEU A CD2 2770 N N . PHE A 441 ? 0.4444 0.3271 0.3724 0.0064 -0.0007 -0.1026 523 PHE A N 2771 C CA . PHE A 441 ? 0.4877 0.3782 0.4231 0.0064 -0.0091 -0.1067 523 PHE A CA 2772 C C . PHE A 441 ? 0.4553 0.3559 0.4014 0.0077 -0.0134 -0.1032 523 PHE A C 2773 O O . PHE A 441 ? 0.3504 0.2498 0.2938 0.0084 -0.0101 -0.0985 523 PHE A O 2774 C CB . PHE A 441 ? 0.4927 0.3775 0.4167 0.0069 -0.0110 -0.1113 523 PHE A CB 2775 C CG . PHE A 441 ? 0.4779 0.3549 0.3940 0.0056 -0.0089 -0.1167 523 PHE A CG 2776 C CD1 . PHE A 441 ? 0.4602 0.3352 0.3801 0.0042 -0.0070 -0.1171 523 PHE A CD1 2777 C CD2 . PHE A 441 ? 0.5114 0.3834 0.4163 0.0061 -0.0096 -0.1215 523 PHE A CD2 2778 C CE1 . PHE A 441 ? 0.4789 0.3455 0.3912 0.0031 -0.0055 -0.1221 523 PHE A CE1 2779 C CE2 . PHE A 441 ? 0.5262 0.3910 0.4241 0.0048 -0.0078 -0.1269 523 PHE A CE2 2780 C CZ . PHE A 441 ? 0.5373 0.3986 0.4386 0.0032 -0.0057 -0.1271 523 PHE A CZ 2781 N N . SER A 442 ? 0.4279 0.3385 0.3870 0.0081 -0.0206 -0.1060 524 SER A N 2782 C CA . SER A 442 ? 0.4465 0.3676 0.4181 0.0097 -0.0252 -0.1035 524 SER A CA 2783 C C . SER A 442 ? 0.4462 0.3636 0.4102 0.0120 -0.0283 -0.1012 524 SER A C 2784 O O . SER A 442 ? 0.3574 0.2778 0.3252 0.0127 -0.0277 -0.0966 524 SER A O 2785 C CB . SER A 442 ? 0.5359 0.4683 0.5232 0.0103 -0.0322 -0.1084 524 SER A CB 2786 O OG . SER A 442 ? 0.5817 0.5238 0.5811 0.0127 -0.0370 -0.1066 524 SER A OG 2787 N N . ASN A 443 ? 0.4615 0.3721 0.4144 0.0132 -0.0318 -0.1045 525 ASN A N 2788 C CA . ASN A 443 ? 0.4442 0.3506 0.3888 0.0157 -0.0356 -0.1028 525 ASN A CA 2789 C C . ASN A 443 ? 0.4003 0.2982 0.3310 0.0148 -0.0278 -0.1000 525 ASN A C 2790 O O . ASN A 443 ? 0.4077 0.3019 0.3309 0.0165 -0.0301 -0.0983 525 ASN A O 2791 C CB . ASN A 443 ? 0.4713 0.3750 0.4103 0.0181 -0.0445 -0.1078 525 ASN A CB 2792 C CG . ASN A 443 ? 0.3908 0.3043 0.3459 0.0200 -0.0529 -0.1111 525 ASN A CG 2793 O OD1 . ASN A 443 ? 0.4030 0.3168 0.3584 0.0208 -0.0579 -0.1167 525 ASN A OD1 2794 N ND2 . ASN A 443 ? 0.4433 0.3660 0.4131 0.0209 -0.0543 -0.1082 525 ASN A ND2 2795 N N . MSE A 444 ? 0.3403 0.2352 0.2682 0.0125 -0.0186 -0.0997 526 MSE A N 2796 C CA . MSE A 444 ? 0.2652 0.1553 0.1845 0.0121 -0.0102 -0.0981 526 MSE A CA 2797 C C . MSE A 444 ? 0.3769 0.2702 0.3035 0.0116 -0.0057 -0.0923 526 MSE A C 2798 O O . MSE A 444 ? 0.3827 0.2749 0.3066 0.0117 0.0010 -0.0909 526 MSE A O 2799 C CB . MSE A 444 ? 0.7716 0.6572 0.6857 0.0104 -0.0025 -0.1013 526 MSE A CB 2800 C CG . MSE A 444 ? 0.8424 0.7237 0.7465 0.0110 -0.0057 -0.1075 526 MSE A CG 2801 SE SE . MSE A 444 ? 0.7793 0.6575 0.6679 0.0146 -0.0086 -0.1090 526 MSE A SE 2802 C CE . MSE A 444 ? 0.4882 0.3664 0.3769 0.0167 -0.0233 -0.1085 526 MSE A CE 2803 N N . GLN A 445 ? 0.3590 0.2586 0.2969 0.0116 -0.0099 -0.0897 527 GLN A N 2804 C CA . GLN A 445 ? 0.4058 0.3093 0.3511 0.0114 -0.0068 -0.0844 527 GLN A CA 2805 C C . GLN A 445 ? 0.4302 0.3333 0.3744 0.0125 -0.0081 -0.0817 527 GLN A C 2806 O O . GLN A 445 ? 0.4292 0.3314 0.3708 0.0140 -0.0152 -0.0831 527 GLN A O 2807 C CB . GLN A 445 ? 0.2108 0.1245 0.1707 0.0114 -0.0119 -0.0837 527 GLN A CB 2808 C CG . GLN A 445 ? 0.3118 0.2263 0.2741 0.0101 -0.0101 -0.0862 527 GLN A CG 2809 C CD . GLN A 445 ? 0.3443 0.2511 0.2986 0.0096 -0.0018 -0.0836 527 GLN A CD 2810 O OE1 . GLN A 445 ? 0.3352 0.2426 0.2909 0.0103 0.0015 -0.0791 527 GLN A OE1 2811 N NE2 . GLN A 445 ? 0.3436 0.2425 0.2892 0.0091 0.0010 -0.0867 527 GLN A NE2 2812 N N . ALA A 446 ? 0.2131 0.1159 0.1589 0.0120 -0.0016 -0.0779 528 ALA A N 2813 C CA . ALA A 446 ? 0.2111 0.1129 0.1562 0.0127 -0.0013 -0.0757 528 ALA A CA 2814 C C . ALA A 446 ? 0.5488 0.4560 0.5042 0.0129 -0.0051 -0.0714 528 ALA A C 2815 O O . ALA A 446 ? 0.5062 0.4208 0.4710 0.0129 -0.0084 -0.0707 528 ALA A O 2816 C CB . ALA A 446 ? 0.6435 0.5443 0.5870 0.0125 0.0084 -0.0761 528 ALA A CB 2817 N N . LEU A 447 ? 0.5601 0.4650 0.5151 0.0133 -0.0049 -0.0692 529 LEU A N 2818 C CA . LEU A 447 ? 0.4606 0.3703 0.4253 0.0135 -0.0092 -0.0656 529 LEU A CA 2819 C C . LEU A 447 ? 0.4234 0.3333 0.3911 0.0130 -0.0017 -0.0618 529 LEU A C 2820 O O . LEU A 447 ? 0.3177 0.2223 0.2803 0.0127 0.0069 -0.0619 529 LEU A O 2821 C CB . LEU A 447 ? 0.1922 0.0970 0.1540 0.0147 -0.0160 -0.0654 529 LEU A CB 2822 C CG . LEU A 447 ? 0.2402 0.1484 0.2119 0.0151 -0.0210 -0.0621 529 LEU A CG 2823 C CD1 . LEU A 447 ? 0.1944 0.1147 0.1794 0.0159 -0.0285 -0.0627 529 LEU A CD1 2824 C CD2 . LEU A 447 ? 0.1997 0.0958 0.1636 0.0184 -0.0299 -0.0622 529 LEU A CD2 2825 N N . PHE A 448 ? 0.4751 0.3938 0.4540 0.0133 -0.0054 -0.0593 530 PHE A N 2826 C CA . PHE A 448 ? 0.4171 0.3369 0.3995 0.0136 -0.0012 -0.0555 530 PHE A CA 2827 C C . PHE A 448 ? 0.3286 0.2593 0.3258 0.0133 -0.0079 -0.0542 530 PHE A C 2828 O O . PHE A 448 ? 0.3265 0.2689 0.3351 0.0132 -0.0126 -0.0558 530 PHE A O 2829 C CB . PHE A 448 ? 0.4201 0.3420 0.4018 0.0146 0.0035 -0.0546 530 PHE A CB 2830 C CG . PHE A 448 ? 0.4673 0.3925 0.4539 0.0161 0.0059 -0.0511 530 PHE A CG 2831 C CD1 . PHE A 448 ? 0.4411 0.3799 0.4435 0.0146 0.0023 -0.0506 530 PHE A CD1 2832 C CD2 . PHE A 448 ? 0.5455 0.4618 0.5221 0.0197 0.0110 -0.0487 530 PHE A CD2 2833 C CE1 . PHE A 448 ? 0.4740 0.4172 0.4827 0.0153 0.0043 -0.0481 530 PHE A CE1 2834 C CE2 . PHE A 448 ? 0.6216 0.5445 0.6066 0.0217 0.0117 -0.0464 530 PHE A CE2 2835 C CZ . PHE A 448 ? 0.5498 0.4856 0.5509 0.0185 0.0092 -0.0460 530 PHE A CZ 2836 N N . ILE A 449 ? 0.2917 0.2184 0.2895 0.0132 -0.0074 -0.0516 531 ILE A N 2837 C CA . ILE A 449 ? 0.2266 0.1636 0.2390 0.0129 -0.0129 -0.0503 531 ILE A CA 2838 C C . ILE A 449 ? 0.2294 0.1639 0.2430 0.0128 -0.0082 -0.0469 531 ILE A C 2839 O O . ILE A 449 ? 0.3521 0.2761 0.3618 0.0139 -0.0066 -0.0467 531 ILE A O 2840 C CB . ILE A 449 ? 0.2618 0.1972 0.2768 0.0130 -0.0208 -0.0508 531 ILE A CB 2841 C CG1 . ILE A 449 ? 0.2647 0.2048 0.2814 0.0143 -0.0270 -0.0544 531 ILE A CG1 2842 C CG2 . ILE A 449 ? 0.1253 0.0704 0.1552 0.0129 -0.0257 -0.0494 531 ILE A CG2 2843 C CD1 . ILE A 449 ? 0.3082 0.2478 0.3287 0.0159 -0.0364 -0.0550 531 ILE A CD1 2844 N N . GLY A 450 ? 0.2889 0.2357 0.3146 0.0125 -0.0084 -0.0464 532 GLY A N 2845 C CA . GLY A 450 ? 0.2807 0.2284 0.3112 0.0127 -0.0053 -0.0436 532 GLY A CA 2846 C C . GLY A 450 ? 0.3304 0.2870 0.3755 0.0112 -0.0112 -0.0432 532 GLY A C 2847 O O . GLY A 450 ? 0.3740 0.3435 0.4306 0.0109 -0.0155 -0.0452 532 GLY A O 2848 N N . TYR A 451 ? 0.3080 0.2584 0.3564 0.0110 -0.0123 -0.0419 533 TYR A N 2849 C CA . TYR A 451 ? 0.2832 0.2405 0.3448 0.0097 -0.0182 -0.0411 533 TYR A CA 2850 C C . TYR A 451 ? 0.3329 0.2906 0.4060 0.0089 -0.0158 -0.0392 533 TYR A C 2851 O O . TYR A 451 ? 0.4003 0.3487 0.4718 0.0094 -0.0106 -0.0381 533 TYR A O 2852 C CB . TYR A 451 ? 0.3108 0.2610 0.3701 0.0096 -0.0249 -0.0411 533 TYR A CB 2853 C CG . TYR A 451 ? 0.3315 0.2875 0.4036 0.0089 -0.0312 -0.0400 533 TYR A CG 2854 C CD1 . TYR A 451 ? 0.3175 0.2656 0.3954 0.0072 -0.0326 -0.0371 533 TYR A CD1 2855 C CD2 . TYR A 451 ? 0.3973 0.3666 0.4785 0.0104 -0.0362 -0.0419 533 TYR A CD2 2856 C CE1 . TYR A 451 ? 0.3217 0.2747 0.4109 0.0066 -0.0385 -0.0359 533 TYR A CE1 2857 C CE2 . TYR A 451 ? 0.5173 0.4917 0.6106 0.0110 -0.0421 -0.0414 533 TYR A CE2 2858 C CZ . TYR A 451 ? 0.4844 0.4502 0.5794 0.0087 -0.0427 -0.0382 533 TYR A CZ 2859 O OH . TYR A 451 ? 0.4892 0.4592 0.5952 0.0093 -0.0483 -0.0375 533 TYR A OH 2860 N N . GLY A 452 ? 0.3566 0.3256 0.4431 0.0080 -0.0192 -0.0390 534 GLY A N 2861 C CA . GLY A 452 ? 0.3656 0.3373 0.4664 0.0068 -0.0176 -0.0374 534 GLY A CA 2862 C C . GLY A 452 ? 0.4269 0.4133 0.5382 0.0068 -0.0184 -0.0387 534 GLY A C 2863 O O . GLY A 452 ? 0.5395 0.5329 0.6463 0.0076 -0.0201 -0.0403 534 GLY A O 2864 N N . PRO A 453 ? 0.3131 0.3039 0.4394 0.0058 -0.0171 -0.0378 535 PRO A N 2865 C CA . PRO A 453 ? 0.3376 0.3411 0.4745 0.0056 -0.0187 -0.0395 535 PRO A CA 2866 C C . PRO A 453 ? 0.3909 0.3963 0.5191 0.0056 -0.0143 -0.0406 535 PRO A C 2867 O O . PRO A 453 ? 0.4976 0.5094 0.6248 0.0052 -0.0163 -0.0418 535 PRO A O 2868 C CB . PRO A 453 ? 0.2593 0.2643 0.4143 0.0043 -0.0172 -0.0380 535 PRO A CB 2869 C CG . PRO A 453 ? 0.2286 0.2215 0.3805 0.0039 -0.0110 -0.0349 535 PRO A CG 2870 C CD . PRO A 453 ? 0.2342 0.2174 0.3694 0.0044 -0.0139 -0.0347 535 PRO A CD 2871 N N . ALA A 454 ? 0.2683 0.2654 0.3866 0.0068 -0.0079 -0.0395 536 ALA A N 2872 C CA . ALA A 454 ? 0.2192 0.2161 0.3277 0.0081 -0.0035 -0.0395 536 ALA A CA 2873 C C . ALA A 454 ? 0.1975 0.1932 0.2916 0.0084 -0.0048 -0.0401 536 ALA A C 2874 O O . ALA A 454 ? 0.2820 0.2798 0.3733 0.0086 -0.0034 -0.0410 536 ALA A O 2875 C CB . ALA A 454 ? 0.2533 0.2437 0.3586 0.0107 0.0044 -0.0379 536 ALA A CB 2876 N N . PHE A 455 ? 0.2250 0.2187 0.3164 0.0083 -0.0081 -0.0409 537 PHE A N 2877 C CA . PHE A 455 ? 0.2711 0.2665 0.3574 0.0085 -0.0099 -0.0432 537 PHE A CA 2878 C C . PHE A 455 ? 0.2878 0.2948 0.3852 0.0082 -0.0161 -0.0456 537 PHE A C 2879 O O . PHE A 455 ? 0.3778 0.3889 0.4844 0.0085 -0.0204 -0.0456 537 PHE A O 2880 C CB . PHE A 455 ? 0.2808 0.2661 0.3559 0.0095 -0.0095 -0.0429 537 PHE A CB 2881 C CG . PHE A 455 ? 0.2936 0.2673 0.3555 0.0112 -0.0028 -0.0412 537 PHE A CG 2882 C CD1 . PHE A 455 ? 0.3242 0.2964 0.3787 0.0122 0.0009 -0.0419 537 PHE A CD1 2883 C CD2 . PHE A 455 ? 0.2283 0.1938 0.2899 0.0122 -0.0006 -0.0400 537 PHE A CD2 2884 C CE1 . PHE A 455 ? 0.3896 0.3523 0.4325 0.0151 0.0066 -0.0407 537 PHE A CE1 2885 C CE2 . PHE A 455 ? 0.2541 0.2116 0.3084 0.0148 0.0059 -0.0400 537 PHE A CE2 2886 C CZ . PHE A 455 ? 0.3105 0.2669 0.3537 0.0167 0.0093 -0.0401 537 PHE A CZ 2887 N N . LYS A 456 ? 0.2683 0.2801 0.3651 0.0082 -0.0162 -0.0475 538 LYS A N 2888 C CA . LYS A 456 ? 0.1991 0.2189 0.3016 0.0091 -0.0198 -0.0490 538 LYS A CA 2889 C C . LYS A 456 ? 0.2426 0.2613 0.3456 0.0110 -0.0238 -0.0497 538 LYS A C 2890 O O . LYS A 456 ? 0.4077 0.4215 0.5083 0.0114 -0.0247 -0.0501 538 LYS A O 2891 C CB . LYS A 456 ? 0.0727 0.0954 0.1728 0.0086 -0.0175 -0.0506 538 LYS A CB 2892 C CG . LYS A 456 ? 0.1588 0.1817 0.2586 0.0072 -0.0146 -0.0503 538 LYS A CG 2893 C CD . LYS A 456 ? 0.2601 0.2840 0.3568 0.0066 -0.0122 -0.0518 538 LYS A CD 2894 C CE . LYS A 456 ? 0.3418 0.3616 0.4336 0.0059 -0.0093 -0.0506 538 LYS A CE 2895 N NZ . LYS A 456 ? 0.4850 0.5027 0.5713 0.0054 -0.0064 -0.0515 538 LYS A NZ 2896 N N . HIS A 457 ? 0.2093 0.2293 0.3112 0.0119 -0.0252 -0.0493 539 HIS A N 2897 C CA . HIS A 457 ? 0.2881 0.3067 0.3914 0.0139 -0.0294 -0.0502 539 HIS A CA 2898 C C . HIS A 457 ? 0.2617 0.2833 0.3644 0.0149 -0.0295 -0.0526 539 HIS A C 2899 O O . HIS A 457 ? 0.3529 0.3776 0.4552 0.0147 -0.0277 -0.0531 539 HIS A O 2900 C CB . HIS A 457 ? 0.1532 0.1706 0.2582 0.0146 -0.0314 -0.0487 539 HIS A CB 2901 C CG . HIS A 457 ? 0.1651 0.1796 0.2727 0.0136 -0.0317 -0.0466 539 HIS A CG 2902 N ND1 . HIS A 457 ? 0.3026 0.3127 0.4142 0.0140 -0.0353 -0.0461 539 HIS A ND1 2903 C CD2 . HIS A 457 ? 0.2920 0.3072 0.3998 0.0123 -0.0291 -0.0450 539 HIS A CD2 2904 C CE1 . HIS A 457 ? 0.4260 0.4347 0.5413 0.0126 -0.0342 -0.0442 539 HIS A CE1 2905 N NE2 . HIS A 457 ? 0.4072 0.4191 0.5200 0.0117 -0.0304 -0.0436 539 HIS A NE2 2906 N N . GLY A 458 ? 0.2310 0.2516 0.3346 0.0161 -0.0319 -0.0547 540 GLY A N 2907 C CA . GLY A 458 ? 0.3000 0.3236 0.4045 0.0171 -0.0322 -0.0575 540 GLY A CA 2908 C C . GLY A 458 ? 0.1940 0.2216 0.2981 0.0153 -0.0277 -0.0591 540 GLY A C 2909 O O . GLY A 458 ? 0.2855 0.3168 0.3912 0.0152 -0.0263 -0.0613 540 GLY A O 2910 N N . ALA A 459 ? 0.1730 0.1997 0.2759 0.0138 -0.0254 -0.0584 541 ALA A N 2911 C CA . ALA A 459 ? 0.2340 0.2636 0.3370 0.0119 -0.0213 -0.0601 541 ALA A CA 2912 C C . ALA A 459 ? 0.2097 0.2316 0.3033 0.0113 -0.0199 -0.0606 541 ALA A C 2913 O O . ALA A 459 ? 0.2091 0.2214 0.2930 0.0112 -0.0197 -0.0585 541 ALA A O 2914 C CB . ALA A 459 ? 0.1961 0.2231 0.2953 0.0098 -0.0178 -0.0574 541 ALA A CB 2915 N N . GLU A 460 ? 0.1362 0.1614 0.2317 0.0107 -0.0186 -0.0635 542 GLU A N 2916 C CA . GLU A 460 ? 0.1694 0.1871 0.2558 0.0100 -0.0172 -0.0644 542 GLU A CA 2917 C C . GLU A 460 ? 0.0741 0.0874 0.1534 0.0072 -0.0113 -0.0639 542 GLU A C 2918 O O . GLU A 460 ? 0.4489 0.4677 0.5334 0.0056 -0.0089 -0.0657 542 GLU A O 2919 C CB . GLU A 460 ? 0.2543 0.2779 0.3484 0.0118 -0.0206 -0.0688 542 GLU A CB 2920 C CG . GLU A 460 ? 0.4479 0.4648 0.5340 0.0110 -0.0196 -0.0706 542 GLU A CG 2921 C CD . GLU A 460 ? 0.6240 0.6465 0.7183 0.0133 -0.0241 -0.0752 542 GLU A CD 2922 O OE1 . GLU A 460 ? 0.6705 0.6933 0.7646 0.0120 -0.0222 -0.0784 542 GLU A OE1 2923 O OE2 . GLU A 460 ? 0.6575 0.6837 0.7589 0.0167 -0.0296 -0.0759 542 GLU A OE2 2924 N N . VAL A 461 ? 0.0821 0.0841 0.1487 0.0068 -0.0087 -0.0616 543 VAL A N 2925 C CA . VAL A 461 ? 0.3167 0.3124 0.3754 0.0052 -0.0034 -0.0608 543 VAL A CA 2926 C C . VAL A 461 ? 0.2974 0.2862 0.3484 0.0049 -0.0022 -0.0629 543 VAL A C 2927 O O . VAL A 461 ? 0.2489 0.2368 0.2992 0.0060 -0.0055 -0.0648 543 VAL A O 2928 C CB . VAL A 461 ? 0.3033 0.2912 0.3538 0.0060 -0.0005 -0.0570 543 VAL A CB 2929 C CG1 . VAL A 461 ? 0.4349 0.4294 0.4934 0.0061 -0.0023 -0.0553 543 VAL A CG1 2930 C CG2 . VAL A 461 ? 0.2886 0.2668 0.3288 0.0077 -0.0004 -0.0561 543 VAL A CG2 2931 N N . ASP A 462 ? 0.3671 0.3504 0.4122 0.0036 0.0022 -0.0627 544 ASP A N 2932 C CA . ASP A 462 ? 0.3641 0.3404 0.4020 0.0032 0.0035 -0.0649 544 ASP A CA 2933 C C . ASP A 462 ? 0.3625 0.3272 0.3874 0.0056 0.0042 -0.0634 544 ASP A C 2934 O O . ASP A 462 ? 0.3407 0.3026 0.3622 0.0073 0.0048 -0.0604 544 ASP A O 2935 C CB . ASP A 462 ? 0.4465 0.4196 0.4821 0.0013 0.0078 -0.0652 544 ASP A CB 2936 C CG . ASP A 462 ? 0.6834 0.6558 0.7195 -0.0004 0.0083 -0.0694 544 ASP A CG 2937 O OD1 . ASP A 462 ? 0.7430 0.7140 0.7773 0.0005 0.0055 -0.0717 544 ASP A OD1 2938 O OD2 . ASP A 462 ? 0.7811 0.7536 0.8188 -0.0029 0.0115 -0.0705 544 ASP A OD2 2939 N N . SER A 463 ? 0.3608 0.3189 0.3786 0.0058 0.0043 -0.0660 545 SER A N 2940 C CA . SER A 463 ? 0.2892 0.2356 0.2933 0.0082 0.0051 -0.0654 545 SER A CA 2941 C C . SER A 463 ? 0.2066 0.1449 0.2019 0.0106 0.0094 -0.0625 545 SER A C 2942 O O . SER A 463 ? 0.2386 0.1774 0.2359 0.0101 0.0117 -0.0619 545 SER A O 2943 C CB . SER A 463 ? 0.3586 0.2997 0.3572 0.0078 0.0042 -0.0694 545 SER A CB 2944 O OG . SER A 463 ? 0.5255 0.4645 0.5236 0.0066 0.0068 -0.0708 545 SER A OG 2945 N N . PHE A 464 ? 0.2404 0.1712 0.2262 0.0136 0.0105 -0.0609 546 PHE A N 2946 C CA . PHE A 464 ? 0.2972 0.2219 0.2758 0.0176 0.0138 -0.0591 546 PHE A CA 2947 C C . PHE A 464 ? 0.4931 0.4080 0.4583 0.0218 0.0144 -0.0598 546 PHE A C 2948 O O . PHE A 464 ? 0.5567 0.4688 0.5177 0.0206 0.0135 -0.0599 546 PHE A O 2949 C CB . PHE A 464 ? 0.2491 0.1802 0.2352 0.0181 0.0149 -0.0557 546 PHE A CB 2950 C CG . PHE A 464 ? 0.3101 0.2439 0.2990 0.0177 0.0134 -0.0541 546 PHE A CG 2951 C CD1 . PHE A 464 ? 0.2184 0.1466 0.2000 0.0215 0.0149 -0.0528 546 PHE A CD1 2952 C CD2 . PHE A 464 ? 0.1352 0.0781 0.1351 0.0142 0.0100 -0.0543 546 PHE A CD2 2953 C CE1 . PHE A 464 ? 0.2811 0.2103 0.2648 0.0209 0.0138 -0.0513 546 PHE A CE1 2954 C CE2 . PHE A 464 ? 0.2074 0.1525 0.2105 0.0141 0.0079 -0.0532 546 PHE A CE2 2955 C CZ . PHE A 464 ? 0.1376 0.0749 0.1322 0.0169 0.0102 -0.0515 546 PHE A CZ 2956 N N . GLU A 465 ? 0.5549 0.4692 0.5176 0.0260 0.0157 -0.0602 547 GLU A N 2957 C CA . GLU A 465 ? 0.5709 0.4843 0.5280 0.0304 0.0148 -0.0623 547 GLU A CA 2958 C C . GLU A 465 ? 0.5819 0.5011 0.5431 0.0326 0.0153 -0.0613 547 GLU A C 2959 O O . GLU A 465 ? 0.7062 0.6283 0.6731 0.0318 0.0172 -0.0581 547 GLU A O 2960 C CB . GLU A 465 ? 0.6316 0.5466 0.5909 0.0330 0.0171 -0.0661 547 GLU A CB 2961 C CG . GLU A 465 ? 0.6428 0.5515 0.5975 0.0314 0.0159 -0.0685 547 GLU A CG 2962 C CD . GLU A 465 ? 0.7189 0.6271 0.6757 0.0334 0.0189 -0.0718 547 GLU A CD 2963 O OE1 . GLU A 465 ? 0.8007 0.7118 0.7626 0.0350 0.0224 -0.0704 547 GLU A OE1 2964 O OE2 . GLU A 465 ? 0.6822 0.5857 0.6347 0.0334 0.0178 -0.0755 547 GLU A OE2 2965 N N . ASN A 466 ? 0.4964 0.4195 0.4585 0.0342 0.0146 -0.0657 548 ASN A N 2966 C CA . ASN A 466 ? 0.3638 0.2913 0.3300 0.0345 0.0176 -0.0658 548 ASN A CA 2967 C C . ASN A 466 ? 0.4129 0.3422 0.3808 0.0371 0.0252 -0.0651 548 ASN A C 2968 O O . ASN A 466 ? 0.5349 0.4664 0.5049 0.0381 0.0287 -0.0632 548 ASN A O 2969 C CB . ASN A 466 ? 0.3854 0.3140 0.3505 0.0326 0.0187 -0.0711 548 ASN A CB 2970 C CG . ASN A 466 ? 0.4542 0.3801 0.4123 0.0334 0.0230 -0.0759 548 ASN A CG 2971 O OD1 . ASN A 466 ? 0.5152 0.4403 0.4729 0.0352 0.0239 -0.0762 548 ASN A OD1 2972 N ND2 . ASN A 466 ? 0.3810 0.3034 0.3306 0.0323 0.0257 -0.0796 548 ASN A ND2 2973 N N . ILE A 467 ? 0.3336 0.2618 0.3009 0.0385 0.0277 -0.0664 549 ILE A N 2974 C CA . ILE A 467 ? 0.3329 0.2635 0.3027 0.0408 0.0343 -0.0648 549 ILE A CA 2975 C C . ILE A 467 ? 0.4277 0.3614 0.4053 0.0404 0.0341 -0.0599 549 ILE A C 2976 O O . ILE A 467 ? 0.5647 0.5020 0.5468 0.0423 0.0387 -0.0580 549 ILE A O 2977 C CB . ILE A 467 ? 0.3875 0.3151 0.3546 0.0424 0.0365 -0.0679 549 ILE A CB 2978 C CG1 . ILE A 467 ? 0.4695 0.3940 0.4384 0.0409 0.0322 -0.0673 549 ILE A CG1 2979 C CG2 . ILE A 467 ? 0.4006 0.3252 0.3597 0.0426 0.0373 -0.0732 549 ILE A CG2 2980 C CD1 . ILE A 467 ? 0.3319 0.2526 0.2994 0.0424 0.0345 -0.0699 549 ILE A CD1 2981 N N . GLU A 468 ? 0.4006 0.3331 0.3794 0.0379 0.0289 -0.0579 550 GLU A N 2982 C CA . GLU A 468 ? 0.3096 0.2451 0.2953 0.0366 0.0287 -0.0536 550 GLU A CA 2983 C C . GLU A 468 ? 0.2550 0.1944 0.2453 0.0363 0.0293 -0.0508 550 GLU A C 2984 O O . GLU A 468 ? 0.2626 0.2064 0.2604 0.0360 0.0305 -0.0478 550 GLU A O 2985 C CB . GLU A 468 ? 0.2809 0.2138 0.2659 0.0330 0.0247 -0.0526 550 GLU A CB 2986 C CG . GLU A 468 ? 0.4915 0.4198 0.4721 0.0326 0.0240 -0.0553 550 GLU A CG 2987 C CD . GLU A 468 ? 0.4967 0.4254 0.4804 0.0342 0.0269 -0.0553 550 GLU A CD 2988 O OE1 . GLU A 468 ? 0.4205 0.3531 0.4099 0.0353 0.0286 -0.0527 550 GLU A OE1 2989 O OE2 . GLU A 468 ? 0.4941 0.4185 0.4744 0.0347 0.0272 -0.0581 550 GLU A OE2 2990 N N . VAL A 469 ? 0.3132 0.2510 0.2994 0.0366 0.0284 -0.0523 551 VAL A N 2991 C CA . VAL A 469 ? 0.4234 0.3632 0.4134 0.0361 0.0288 -0.0500 551 VAL A CA 2992 C C . VAL A 469 ? 0.3665 0.3111 0.3636 0.0374 0.0376 -0.0484 551 VAL A C 2993 O O . VAL A 469 ? 0.3713 0.3189 0.3775 0.0361 0.0401 -0.0456 551 VAL A O 2994 C CB . VAL A 469 ? 0.2275 0.1614 0.2114 0.0353 0.0270 -0.0527 551 VAL A CB 2995 C CG1 . VAL A 469 ? 0.2721 0.2034 0.2583 0.0342 0.0366 -0.0516 551 VAL A CG1 2996 C CG2 . VAL A 469 ? 0.1925 0.1221 0.1729 0.0331 0.0189 -0.0507 551 VAL A CG2 2997 N N . TYR A 470 ? 0.3518 0.2972 0.3457 0.0399 0.0428 -0.0502 552 TYR A N 2998 C CA . TYR A 470 ? 0.4623 0.4120 0.4620 0.0416 0.0522 -0.0483 552 TYR A CA 2999 C C . TYR A 470 ? 0.3988 0.3556 0.4104 0.0421 0.0508 -0.0452 552 TYR A C 3000 O O . TYR A 470 ? 0.2381 0.1995 0.2595 0.0416 0.0561 -0.0425 552 TYR A O 3001 C CB . TYR A 470 ? 0.4812 0.4309 0.4749 0.0447 0.0561 -0.0511 552 TYR A CB 3002 C CG . TYR A 470 ? 0.4145 0.3702 0.4145 0.0474 0.0648 -0.0495 552 TYR A CG 3003 C CD1 . TYR A 470 ? 0.3505 0.3066 0.3497 0.0471 0.0751 -0.0476 552 TYR A CD1 3004 C CD2 . TYR A 470 ? 0.4867 0.4478 0.4932 0.0505 0.0630 -0.0497 552 TYR A CD2 3005 C CE1 . TYR A 470 ? 0.3568 0.3207 0.3634 0.0495 0.0830 -0.0462 552 TYR A CE1 3006 C CE2 . TYR A 470 ? 0.4808 0.4487 0.4945 0.0535 0.0702 -0.0488 552 TYR A CE2 3007 C CZ . TYR A 470 ? 0.4290 0.3993 0.4436 0.0529 0.0800 -0.0472 552 TYR A CZ 3008 O OH . TYR A 470 ? 0.5143 0.4935 0.5375 0.0557 0.0871 -0.0465 552 TYR A OH 3009 N N . ASN A 471 ? 0.1547 0.1120 0.1656 0.0430 0.0443 -0.0454 553 ASN A N 3010 C CA . ASN A 471 ? 0.1475 0.1094 0.1676 0.0432 0.0432 -0.0428 553 ASN A CA 3011 C C . ASN A 471 ? 0.3677 0.3316 0.3935 0.0399 0.0396 -0.0402 553 ASN A C 3012 O O . ASN A 471 ? 0.4186 0.3887 0.4548 0.0399 0.0404 -0.0380 553 ASN A O 3013 C CB . ASN A 471 ? 0.2889 0.2470 0.3065 0.0436 0.0404 -0.0437 553 ASN A CB 3014 C CG . ASN A 471 ? 0.3556 0.3119 0.3698 0.0472 0.0438 -0.0463 553 ASN A CG 3015 O OD1 . ASN A 471 ? 0.4088 0.3691 0.4253 0.0502 0.0488 -0.0469 553 ASN A OD1 3016 N ND2 . ASN A 471 ? 0.3596 0.3099 0.3687 0.0470 0.0415 -0.0481 553 ASN A ND2 3017 N N . LEU A 472 ? 0.3521 0.3110 0.3724 0.0370 0.0357 -0.0409 554 LEU A N 3018 C CA . LEU A 472 ? 0.1264 0.0865 0.1519 0.0335 0.0320 -0.0391 554 LEU A CA 3019 C C . LEU A 472 ? 0.4279 0.3917 0.4658 0.0325 0.0377 -0.0383 554 LEU A C 3020 O O . LEU A 472 ? 0.5190 0.4882 0.5690 0.0305 0.0364 -0.0366 554 LEU A O 3021 C CB . LEU A 472 ? 0.3289 0.2825 0.3466 0.0309 0.0276 -0.0407 554 LEU A CB 3022 C CG . LEU A 472 ? 0.3017 0.2563 0.3248 0.0271 0.0236 -0.0396 554 LEU A CG 3023 C CD1 . LEU A 472 ? 0.3998 0.3616 0.4335 0.0240 0.0212 -0.0387 554 LEU A CD1 3024 C CD2 . LEU A 472 ? 0.3300 0.2780 0.3447 0.0252 0.0198 -0.0413 554 LEU A CD2 3025 N N . MSE A 473 ? 0.4192 0.3798 0.4541 0.0337 0.0446 -0.0394 555 MSE A N 3026 C CA . MSE A 473 ? 0.5099 0.4723 0.5553 0.0327 0.0528 -0.0376 555 MSE A CA 3027 C C . MSE A 473 ? 0.5274 0.5002 0.5859 0.0343 0.0580 -0.0351 555 MSE A C 3028 O O . MSE A 473 ? 0.5103 0.4887 0.5839 0.0326 0.0614 -0.0327 555 MSE A O 3029 C CB . MSE A 473 ? 0.4959 0.4504 0.5300 0.0336 0.0611 -0.0386 555 MSE A CB 3030 C CG . MSE A 473 ? 0.5315 0.4749 0.5541 0.0318 0.0557 -0.0410 555 MSE A CG 3031 SE SE . MSE A 473 ? 0.8133 0.7427 0.8146 0.0330 0.0661 -0.0421 555 MSE A SE 3032 C CE . MSE A 473 ? 0.4428 0.3589 0.4371 0.0300 0.0546 -0.0446 555 MSE A CE 3033 N N . CYS A 474 ? 0.4543 0.4296 0.5080 0.0377 0.0578 -0.0359 556 CYS A N 3034 C CA . CYS A 474 ? 0.5025 0.4873 0.5675 0.0401 0.0609 -0.0343 556 CYS A CA 3035 C C . CYS A 474 ? 0.5737 0.5642 0.6504 0.0384 0.0544 -0.0327 556 CYS A C 3036 O O . CYS A 474 ? 0.6545 0.6538 0.7460 0.0383 0.0570 -0.0309 556 CYS A O 3037 C CB . CYS A 474 ? 0.4633 0.4479 0.5202 0.0446 0.0602 -0.0363 556 CYS A CB 3038 S SG . CYS A 474 ? 0.5942 0.5747 0.6396 0.0469 0.0684 -0.0387 556 CYS A SG 3039 N N . ASP A 475 ? 0.4838 0.4696 0.5535 0.0368 0.0461 -0.0335 557 ASP A N 3040 C CA . ASP A 475 ? 0.4113 0.4015 0.4894 0.0347 0.0401 -0.0324 557 ASP A CA 3041 C C . ASP A 475 ? 0.4345 0.4275 0.5258 0.0304 0.0396 -0.0317 557 ASP A C 3042 O O . ASP A 475 ? 0.5737 0.5732 0.6776 0.0288 0.0366 -0.0308 557 ASP A O 3043 C CB . ASP A 475 ? 0.4384 0.4229 0.5043 0.0338 0.0331 -0.0331 557 ASP A CB 3044 C CG . ASP A 475 ? 0.5143 0.4956 0.5714 0.0376 0.0336 -0.0338 557 ASP A CG 3045 O OD1 . ASP A 475 ? 0.5202 0.5056 0.5810 0.0417 0.0368 -0.0334 557 ASP A OD1 3046 O OD2 . ASP A 475 ? 0.5122 0.4874 0.5611 0.0361 0.0312 -0.0351 557 ASP A OD2 3047 N N . LEU A 476 ? 0.4234 0.4107 0.5117 0.0288 0.0422 -0.0324 558 LEU A N 3048 C CA . LEU A 476 ? 0.4720 0.4600 0.5731 0.0252 0.0418 -0.0318 558 LEU A CA 3049 C C . LEU A 476 ? 0.5537 0.5484 0.6709 0.0254 0.0509 -0.0289 558 LEU A C 3050 O O . LEU A 476 ? 0.5824 0.5810 0.7160 0.0224 0.0502 -0.0272 558 LEU A O 3051 C CB . LEU A 476 ? 0.3837 0.3611 0.4743 0.0240 0.0407 -0.0334 558 LEU A CB 3052 C CG . LEU A 476 ? 0.2857 0.2588 0.3626 0.0228 0.0314 -0.0357 558 LEU A CG 3053 C CD1 . LEU A 476 ? 0.1541 0.1172 0.2216 0.0218 0.0293 -0.0373 558 LEU A CD1 3054 C CD2 . LEU A 476 ? 0.4111 0.3907 0.4963 0.0198 0.0237 -0.0356 558 LEU A CD2 3055 N N . LEU A 477 ? 0.5705 0.5676 0.6834 0.0285 0.0592 -0.0280 559 LEU A N 3056 C CA . LEU A 477 ? 0.5818 0.5875 0.7082 0.0282 0.0693 -0.0247 559 LEU A CA 3057 C C . LEU A 477 ? 0.5472 0.5641 0.6822 0.0303 0.0681 -0.0242 559 LEU A C 3058 O O . LEU A 477 ? 0.4530 0.4795 0.5999 0.0299 0.0752 -0.0218 559 LEU A O 3059 C CB . LEU A 477 ? 0.5503 0.5510 0.6643 0.0298 0.0808 -0.0242 559 LEU A CB 3060 C CG . LEU A 477 ? 0.3598 0.3474 0.4624 0.0285 0.0838 -0.0247 559 LEU A CG 3061 C CD1 . LEU A 477 ? 0.2728 0.2547 0.3566 0.0300 0.0941 -0.0243 559 LEU A CD1 3062 C CD2 . LEU A 477 ? 0.2643 0.2528 0.3744 0.0211 0.0798 -0.0187 559 LEU A CD2 3063 N N . GLY A 478 ? 0.5737 0.5894 0.7021 0.0325 0.0595 -0.0263 560 GLY A N 3064 C CA . GLY A 478 ? 0.5171 0.5413 0.6514 0.0357 0.0576 -0.0262 560 GLY A CA 3065 C C . GLY A 478 ? 0.4134 0.4408 0.5438 0.0403 0.0651 -0.0267 560 GLY A C 3066 O O . GLY A 478 ? 0.3070 0.3450 0.4495 0.0418 0.0686 -0.0258 560 GLY A O 3067 N N . LEU A 479 ? 0.3812 0.3998 0.4949 0.0424 0.0669 -0.0285 561 LEU A N 3068 C CA . LEU A 479 ? 0.4216 0.4422 0.5302 0.0466 0.0737 -0.0298 561 LEU A CA 3069 C C . LEU A 479 ? 0.3480 0.3637 0.4446 0.0515 0.0685 -0.0326 561 LEU A C 3070 O O . LEU A 479 ? 0.2711 0.2781 0.3569 0.0508 0.0617 -0.0334 561 LEU A O 3071 C CB . LEU A 479 ? 0.4934 0.5078 0.5924 0.0450 0.0819 -0.0300 561 LEU A CB 3072 C CG . LEU A 479 ? 0.4973 0.5144 0.6057 0.0401 0.0891 -0.0266 561 LEU A CG 3073 C CD1 . LEU A 479 ? 0.5034 0.5114 0.5967 0.0391 0.0971 -0.0266 561 LEU A CD1 3074 C CD2 . LEU A 479 ? 0.4967 0.5283 0.6225 0.0397 0.0953 -0.0242 561 LEU A CD2 3075 N N . ILE A 480 ? 0.2864 0.3080 0.3856 0.0566 0.0717 -0.0340 562 ILE A N 3076 C CA . ILE A 480 ? 0.3143 0.3304 0.4023 0.0616 0.0681 -0.0369 562 ILE A CA 3077 C C . ILE A 480 ? 0.3818 0.3902 0.4564 0.0614 0.0721 -0.0393 562 ILE A C 3078 O O . ILE A 480 ? 0.4524 0.4647 0.5281 0.0623 0.0804 -0.0402 562 ILE A O 3079 C CB . ILE A 480 ? 0.3041 0.3290 0.4004 0.0679 0.0699 -0.0382 562 ILE A CB 3080 C CG1 . ILE A 480 ? 0.2911 0.3238 0.4004 0.0685 0.0654 -0.0360 562 ILE A CG1 3081 C CG2 . ILE A 480 ? 0.1706 0.1883 0.2556 0.0732 0.0663 -0.0415 562 ILE A CG2 3082 C CD1 . ILE A 480 ? 0.3695 0.4153 0.4968 0.0661 0.0706 -0.0341 562 ILE A CD1 3083 N N . PRO A 481 ? 0.3660 0.3639 0.4275 0.0602 0.0661 -0.0406 563 PRO A N 3084 C CA . PRO A 481 ? 0.4278 0.4179 0.4762 0.0593 0.0682 -0.0432 563 PRO A CA 3085 C C . PRO A 481 ? 0.4184 0.4091 0.4631 0.0643 0.0717 -0.0470 563 PRO A C 3086 O O . PRO A 481 ? 0.3868 0.3793 0.4346 0.0687 0.0688 -0.0483 563 PRO A O 3087 C CB . PRO A 481 ? 0.4000 0.3814 0.4391 0.0572 0.0592 -0.0438 563 PRO A CB 3088 C CG . PRO A 481 ? 0.3984 0.3810 0.4434 0.0589 0.0549 -0.0424 563 PRO A CG 3089 C CD . PRO A 481 ? 0.3585 0.3519 0.4167 0.0596 0.0570 -0.0399 563 PRO A CD 3090 N N . ALA A 482 ? 0.3726 0.3611 0.4101 0.0639 0.0782 -0.0488 564 ALA A N 3091 C CA . ALA A 482 ? 0.3301 0.3182 0.3625 0.0683 0.0811 -0.0533 564 ALA A CA 3092 C C . ALA A 482 ? 0.4044 0.3825 0.4281 0.0686 0.0739 -0.0561 564 ALA A C 3093 O O . ALA A 482 ? 0.4417 0.4133 0.4609 0.0645 0.0686 -0.0546 564 ALA A O 3094 C CB . ALA A 482 ? 0.2186 0.2060 0.2435 0.0672 0.0901 -0.0544 564 ALA A CB 3095 N N . PRO A 483 ? 0.3764 0.3524 0.3991 0.0732 0.0752 -0.0599 565 PRO A N 3096 C CA . PRO A 483 ? 0.3519 0.3168 0.3675 0.0730 0.0707 -0.0623 565 PRO A CA 3097 C C . PRO A 483 ? 0.3622 0.3198 0.3664 0.0687 0.0697 -0.0636 565 PRO A C 3098 O O . PRO A 483 ? 0.4101 0.3675 0.4079 0.0696 0.0741 -0.0668 565 PRO A O 3099 C CB . PRO A 483 ? 0.3252 0.2903 0.3416 0.0791 0.0744 -0.0669 565 PRO A CB 3100 C CG . PRO A 483 ? 0.3145 0.2914 0.3421 0.0831 0.0781 -0.0660 565 PRO A CG 3101 C CD . PRO A 483 ? 0.3935 0.3777 0.4230 0.0790 0.0808 -0.0623 565 PRO A CD 3102 N N . ASN A 484 ? 0.3250 0.2774 0.3268 0.0643 0.0638 -0.0615 566 ASN A N 3103 C CA . ASN A 484 ? 0.3805 0.3267 0.3728 0.0605 0.0617 -0.0631 566 ASN A CA 3104 C C . ASN A 484 ? 0.3803 0.3182 0.3691 0.0589 0.0565 -0.0645 566 ASN A C 3105 O O . ASN A 484 ? 0.4031 0.3388 0.3954 0.0609 0.0553 -0.0644 566 ASN A O 3106 C CB . ASN A 484 ? 0.4389 0.3876 0.4313 0.0564 0.0597 -0.0599 566 ASN A CB 3107 C CG . ASN A 484 ? 0.4496 0.3995 0.4487 0.0543 0.0547 -0.0560 566 ASN A CG 3108 O OD1 . ASN A 484 ? 0.5606 0.5134 0.5667 0.0565 0.0545 -0.0545 566 ASN A OD1 3109 N ND2 . ASN A 484 ? 0.4468 0.3944 0.4434 0.0502 0.0502 -0.0548 566 ASN A ND2 3110 N N . ASN A 485 ? 0.4090 0.3424 0.3910 0.0553 0.0535 -0.0658 567 ASN A N 3111 C CA . ASN A 485 ? 0.3997 0.3260 0.3784 0.0534 0.0492 -0.0675 567 ASN A CA 3112 C C . ASN A 485 ? 0.4798 0.4060 0.4610 0.0494 0.0438 -0.0643 567 ASN A C 3113 O O . ASN A 485 ? 0.5880 0.5092 0.5671 0.0473 0.0407 -0.0651 567 ASN A O 3114 C CB . ASN A 485 ? 0.3546 0.2764 0.3248 0.0526 0.0490 -0.0722 567 ASN A CB 3115 C CG . ASN A 485 ? 0.3559 0.2764 0.3226 0.0567 0.0541 -0.0764 567 ASN A CG 3116 O OD1 . ASN A 485 ? 0.2963 0.2181 0.2573 0.0573 0.0572 -0.0789 567 ASN A OD1 3117 N ND2 . ASN A 485 ? 0.4799 0.3975 0.4495 0.0596 0.0551 -0.0776 567 ASN A ND2 3118 N N . GLY A 486 ? 0.4707 0.4024 0.4562 0.0482 0.0432 -0.0607 568 GLY A N 3119 C CA . GLY A 486 ? 0.4735 0.4055 0.4612 0.0446 0.0385 -0.0578 568 GLY A CA 3120 C C . GLY A 486 ? 0.4504 0.3833 0.4436 0.0452 0.0378 -0.0552 568 GLY A C 3121 O O . GLY A 486 ? 0.4393 0.3755 0.4374 0.0486 0.0405 -0.0542 568 GLY A O 3122 N N . SER A 487 ? 0.4234 0.3533 0.4158 0.0422 0.0344 -0.0544 569 SER A N 3123 C CA . SER A 487 ? 0.3871 0.3172 0.3835 0.0425 0.0334 -0.0521 569 SER A CA 3124 C C . SER A 487 ? 0.3579 0.2944 0.3599 0.0419 0.0325 -0.0487 569 SER A C 3125 O O . SER A 487 ? 0.1553 0.0933 0.1575 0.0380 0.0302 -0.0473 569 SER A O 3126 C CB . SER A 487 ? 0.3869 0.3122 0.3803 0.0389 0.0310 -0.0525 569 SER A CB 3127 O OG . SER A 487 ? 0.3947 0.3138 0.3834 0.0390 0.0318 -0.0559 569 SER A OG 3128 N N . HIS A 488 ? 0.4287 0.3692 0.4360 0.0457 0.0345 -0.0476 570 HIS A N 3129 C CA . HIS A 488 ? 0.5114 0.4586 0.5251 0.0455 0.0341 -0.0446 570 HIS A CA 3130 C C . HIS A 488 ? 0.4596 0.4068 0.4749 0.0429 0.0308 -0.0426 570 HIS A C 3131 O O . HIS A 488 ? 0.5206 0.4650 0.5354 0.0450 0.0298 -0.0425 570 HIS A O 3132 C CB . HIS A 488 ? 0.5943 0.5464 0.6143 0.0506 0.0370 -0.0441 570 HIS A CB 3133 C CG . HIS A 488 ? 0.5534 0.5134 0.5814 0.0503 0.0375 -0.0415 570 HIS A CG 3134 N ND1 . HIS A 488 ? 0.5076 0.4741 0.5435 0.0545 0.0397 -0.0406 570 HIS A ND1 3135 C CD2 . HIS A 488 ? 0.4913 0.4540 0.5217 0.0461 0.0360 -0.0398 570 HIS A CD2 3136 C CE1 . HIS A 488 ? 0.3870 0.3601 0.4302 0.0525 0.0396 -0.0383 570 HIS A CE1 3137 N NE2 . HIS A 488 ? 0.3712 0.3418 0.4112 0.0475 0.0374 -0.0378 570 HIS A NE2 3138 N N . GLY A 489 ? 0.4040 0.3542 0.4215 0.0386 0.0290 -0.0413 571 GLY A N 3139 C CA . GLY A 489 ? 0.4275 0.3791 0.4477 0.0356 0.0263 -0.0399 571 GLY A CA 3140 C C . GLY A 489 ? 0.3221 0.2712 0.3386 0.0308 0.0244 -0.0412 571 GLY A C 3141 O O . GLY A 489 ? 0.1886 0.1403 0.2082 0.0276 0.0223 -0.0408 571 GLY A O 3142 N N . SER A 490 ? 0.2653 0.2101 0.2759 0.0303 0.0250 -0.0431 572 SER A N 3143 C CA . SER A 490 ? 0.2356 0.1786 0.2436 0.0260 0.0234 -0.0447 572 SER A CA 3144 C C . SER A 490 ? 0.3086 0.2572 0.3212 0.0219 0.0212 -0.0447 572 SER A C 3145 O O . SER A 490 ? 0.5268 0.4772 0.5409 0.0181 0.0194 -0.0461 572 SER A O 3146 C CB . SER A 490 ? 0.3033 0.2403 0.3044 0.0270 0.0244 -0.0472 572 SER A CB 3147 O OG . SER A 490 ? 0.3045 0.2417 0.3035 0.0286 0.0250 -0.0479 572 SER A OG 3148 N N . LEU A 491 ? 0.2609 0.2129 0.2771 0.0228 0.0212 -0.0435 573 LEU A N 3149 C CA . LEU A 491 ? 0.3961 0.3531 0.4174 0.0195 0.0185 -0.0437 573 LEU A CA 3150 C C . LEU A 491 ? 0.4508 0.4155 0.4823 0.0179 0.0165 -0.0425 573 LEU A C 3151 O O . LEU A 491 ? 0.4501 0.4194 0.4874 0.0163 0.0141 -0.0426 573 LEU A O 3152 C CB . LEU A 491 ? 0.3931 0.3471 0.4103 0.0214 0.0194 -0.0437 573 LEU A CB 3153 C CG . LEU A 491 ? 0.3259 0.2727 0.3328 0.0228 0.0200 -0.0458 573 LEU A CG 3154 C CD1 . LEU A 491 ? 0.2223 0.1657 0.2243 0.0247 0.0202 -0.0459 573 LEU A CD1 3155 C CD2 . LEU A 491 ? 0.3323 0.2794 0.3391 0.0190 0.0173 -0.0478 573 LEU A CD2 3156 N N . ASN A 492 ? 0.4531 0.4186 0.4864 0.0189 0.0170 -0.0417 574 ASN A N 3157 C CA . ASN A 492 ? 0.2737 0.2461 0.3161 0.0178 0.0146 -0.0411 574 ASN A CA 3158 C C . ASN A 492 ? 0.3923 0.3720 0.4417 0.0135 0.0103 -0.0429 574 ASN A C 3159 O O . ASN A 492 ? 0.4663 0.4527 0.5245 0.0123 0.0073 -0.0431 574 ASN A O 3160 C CB . ASN A 492 ? 0.1657 0.1358 0.2063 0.0203 0.0156 -0.0402 574 ASN A CB 3161 C CG . ASN A 492 ? 0.2706 0.2383 0.3102 0.0254 0.0184 -0.0383 574 ASN A CG 3162 O OD1 . ASN A 492 ? 0.1046 0.0735 0.1459 0.0267 0.0200 -0.0377 574 ASN A OD1 3163 N ND2 . ASN A 492 ? 0.3393 0.3039 0.3762 0.0289 0.0191 -0.0375 574 ASN A ND2 3164 N N . HIS A 493 ? 0.4602 0.4393 0.5068 0.0116 0.0099 -0.0447 575 HIS A N 3165 C CA . HIS A 493 ? 0.3307 0.3181 0.3850 0.0085 0.0062 -0.0468 575 HIS A CA 3166 C C . HIS A 493 ? 0.2256 0.2181 0.2860 0.0078 0.0029 -0.0475 575 HIS A C 3167 O O . HIS A 493 ? 0.1898 0.1907 0.2586 0.0065 -0.0009 -0.0492 575 HIS A O 3168 C CB . HIS A 493 ? 0.2772 0.2628 0.3277 0.0070 0.0073 -0.0487 575 HIS A CB 3169 C CG . HIS A 493 ? 0.4257 0.4051 0.4691 0.0076 0.0090 -0.0492 575 HIS A CG 3170 N ND1 . HIS A 493 ? 0.5769 0.5470 0.6111 0.0102 0.0122 -0.0477 575 HIS A ND1 3171 C CD2 . HIS A 493 ? 0.3271 0.3082 0.3713 0.0063 0.0075 -0.0514 575 HIS A CD2 3172 C CE1 . HIS A 493 ? 0.4250 0.3908 0.4537 0.0103 0.0126 -0.0491 575 HIS A CE1 3173 N NE2 . HIS A 493 ? 0.2698 0.2418 0.3043 0.0078 0.0097 -0.0513 575 HIS A NE2 3174 N N . LEU A 494 ? 0.2453 0.2321 0.3009 0.0094 0.0045 -0.0460 576 LEU A N 3175 C CA . LEU A 494 ? 0.2773 0.2655 0.3359 0.0093 0.0019 -0.0462 576 LEU A CA 3176 C C . LEU A 494 ? 0.2907 0.2837 0.3581 0.0091 -0.0001 -0.0452 576 LEU A C 3177 O O . LEU A 494 ? 0.2311 0.2280 0.3048 0.0085 -0.0040 -0.0457 576 LEU A O 3178 C CB . LEU A 494 ? 0.3115 0.2896 0.3592 0.0114 0.0051 -0.0452 576 LEU A CB 3179 C CG . LEU A 494 ? 0.3417 0.3143 0.3809 0.0115 0.0054 -0.0470 576 LEU A CG 3180 C CD1 . LEU A 494 ? 0.4810 0.4519 0.5163 0.0113 0.0078 -0.0477 576 LEU A CD1 3181 C CD2 . LEU A 494 ? 0.2988 0.2610 0.3268 0.0141 0.0080 -0.0462 576 LEU A CD2 3182 N N . LEU A 495 ? 0.2552 0.2355 0.3659 0.0235 -0.0355 0.0079 577 LEU A N 3183 C CA . LEU A 495 ? 0.3440 0.3256 0.4603 0.0220 -0.0376 0.0101 577 LEU A CA 3184 C C . LEU A 495 ? 0.5082 0.4919 0.6270 0.0207 -0.0417 0.0076 577 LEU A C 3185 O O . LEU A 495 ? 0.5420 0.5272 0.6591 0.0215 -0.0407 0.0057 577 LEU A O 3186 C CB . LEU A 495 ? 0.2583 0.2411 0.3789 0.0228 -0.0321 0.0146 577 LEU A CB 3187 C CG . LEU A 495 ? 0.2322 0.2110 0.3496 0.0245 -0.0266 0.0172 577 LEU A CG 3188 C CD1 . LEU A 495 ? 0.0986 0.0792 0.2221 0.0250 -0.0208 0.0211 577 LEU A CD1 3189 C CD2 . LEU A 495 ? 0.1839 0.1582 0.2992 0.0241 -0.0290 0.0183 577 LEU A CD2 3190 N N . LYS A 496 ? 0.5539 0.5369 0.6762 0.0190 -0.0461 0.0077 578 LYS A N 3191 C CA . LYS A 496 ? 0.4668 0.4503 0.5908 0.0180 -0.0498 0.0056 578 LYS A CA 3192 C C . LYS A 496 ? 0.4420 0.4284 0.5696 0.0188 -0.0469 0.0084 578 LYS A C 3193 O O . LYS A 496 ? 0.4380 0.4252 0.5634 0.0199 -0.0467 0.0069 578 LYS A O 3194 C CB . LYS A 496 ? 0.2740 0.2553 0.4012 0.0160 -0.0549 0.0054 578 LYS A CB 3195 C CG . LYS A 496 ? 0.2754 0.2533 0.3995 0.0153 -0.0588 0.0025 578 LYS A CG 3196 C CD . LYS A 496 ? 0.1926 0.1679 0.3196 0.0135 -0.0641 0.0016 578 LYS A CD 3197 C CE . LYS A 496 ? 0.2356 0.2072 0.3599 0.0130 -0.0681 -0.0010 578 LYS A CE 3198 N NZ . LYS A 496 ? 0.3243 0.2950 0.4479 0.0132 -0.0668 0.0024 578 LYS A NZ 3199 N N . LYS A 497 ? 0.4199 0.4076 0.5533 0.0184 -0.0448 0.0127 579 LYS A N 3200 C CA . LYS A 497 ? 0.4864 0.4769 0.6247 0.0191 -0.0423 0.0159 579 LYS A CA 3201 C C . LYS A 497 ? 0.5081 0.4997 0.6480 0.0204 -0.0356 0.0193 579 LYS A C 3202 O O . LYS A 497 ? 0.5703 0.5620 0.7155 0.0197 -0.0337 0.0224 579 LYS A O 3203 C CB . LYS A 497 ? 0.5587 0.5497 0.7048 0.0172 -0.0459 0.0180 579 LYS A CB 3204 C CG . LYS A 497 ? 0.7232 0.7169 0.8741 0.0179 -0.0457 0.0203 579 LYS A CG 3205 C CD . LYS A 497 ? 0.8188 0.8132 0.9792 0.0159 -0.0490 0.0231 579 LYS A CD 3206 C CE . LYS A 497 ? 0.9070 0.9023 1.0693 0.0166 -0.0524 0.0235 579 LYS A CE 3207 N NZ . LYS A 497 ? 0.9744 0.9696 1.1455 0.0144 -0.0572 0.0254 579 LYS A NZ 3208 N N . PRO A 498 ? 0.4083 0.4003 0.5437 0.0224 -0.0316 0.0186 580 PRO A N 3209 C CA . PRO A 498 ? 0.3227 0.3147 0.4587 0.0239 -0.0248 0.0213 580 PRO A CA 3210 C C . PRO A 498 ? 0.2483 0.2428 0.3941 0.0236 -0.0221 0.0259 580 PRO A C 3211 O O . PRO A 498 ? 0.3228 0.3198 0.4733 0.0233 -0.0248 0.0268 580 PRO A O 3212 C CB . PRO A 498 ? 0.3591 0.3511 0.4894 0.0258 -0.0224 0.0194 580 PRO A CB 3213 C CG . PRO A 498 ? 0.4023 0.3935 0.5272 0.0254 -0.0274 0.0150 580 PRO A CG 3214 C CD . PRO A 498 ? 0.4348 0.4266 0.5640 0.0235 -0.0331 0.0150 580 PRO A CD 3215 N N . ILE A 499 ? 0.1772 0.1708 0.3263 0.0238 -0.0168 0.0288 581 ILE A N 3216 C CA . ILE A 499 ? 0.2847 0.2810 0.4452 0.0233 -0.0134 0.0334 581 ILE A CA 3217 C C . ILE A 499 ? 0.0983 0.0957 0.2608 0.0249 -0.0075 0.0354 581 ILE A C 3218 O O . ILE A 499 ? 0.2714 0.2721 0.4423 0.0248 -0.0076 0.0381 581 ILE A O 3219 C CB . ILE A 499 ? 0.3916 0.3859 0.5558 0.0227 -0.0095 0.0359 581 ILE A CB 3220 C CG1 . ILE A 499 ? 0.6233 0.6170 0.7888 0.0209 -0.0156 0.0352 581 ILE A CG1 3221 C CG2 . ILE A 499 ? 0.3183 0.3152 0.4949 0.0225 -0.0035 0.0408 581 ILE A CG2 3222 C CD1 . ILE A 499 ? 0.7522 0.7416 0.9060 0.0212 -0.0193 0.0313 581 ILE A CD1 3223 N N . TYR A 500 ? 0.3897 0.3840 0.5445 0.0264 -0.0026 0.0339 582 TYR A N 3224 C CA . TYR A 500 ? 0.2739 0.2684 0.4302 0.0278 0.0038 0.0357 582 TYR A CA 3225 C C . TYR A 500 ? 0.2587 0.2526 0.4067 0.0292 0.0021 0.0326 582 TYR A C 3226 O O . TYR A 500 ? 0.2211 0.2123 0.3596 0.0296 0.0004 0.0287 582 TYR A O 3227 C CB . TYR A 500 ? 0.2860 0.2762 0.4401 0.0283 0.0119 0.0367 582 TYR A CB 3228 C CG . TYR A 500 ? 0.3273 0.3170 0.4829 0.0294 0.0195 0.0385 582 TYR A CG 3229 C CD1 . TYR A 500 ? 0.3645 0.3574 0.5321 0.0292 0.0240 0.0431 582 TYR A CD1 3230 C CD2 . TYR A 500 ? 0.2484 0.2342 0.3940 0.0304 0.0222 0.0356 582 TYR A CD2 3231 C CE1 . TYR A 500 ? 0.4272 0.4191 0.5964 0.0303 0.0312 0.0450 582 TYR A CE1 3232 C CE2 . TYR A 500 ? 0.3245 0.3092 0.4713 0.0312 0.0295 0.0373 582 TYR A CE2 3233 C CZ . TYR A 500 ? 0.4101 0.3979 0.5686 0.0312 0.0341 0.0421 582 TYR A CZ 3234 O OH . TYR A 500 ? 0.3968 0.3831 0.5565 0.0320 0.0416 0.0440 582 TYR A OH 3235 N N . ASN A 501 ? 0.3646 0.3610 0.5166 0.0302 0.0025 0.0344 583 ASN A N 3236 C CA . ASN A 501 ? 0.3152 0.3107 0.4598 0.0319 0.0018 0.0320 583 ASN A CA 3237 C C . ASN A 501 ? 0.3202 0.3139 0.4645 0.0332 0.0095 0.0336 583 ASN A C 3238 O O . ASN A 501 ? 0.3769 0.3725 0.5287 0.0339 0.0123 0.0374 583 ASN A O 3239 C CB . ASN A 501 ? 0.3626 0.3608 0.5095 0.0328 -0.0040 0.0326 583 ASN A CB 3240 C CG . ASN A 501 ? 0.5627 0.5617 0.7082 0.0314 -0.0115 0.0302 583 ASN A CG 3241 O OD1 . ASN A 501 ? 0.6889 0.6902 0.8416 0.0303 -0.0154 0.0322 583 ASN A OD1 3242 N ND2 . ASN A 501 ? 0.5027 0.4995 0.6394 0.0312 -0.0134 0.0260 583 ASN A ND2 3243 N N . PRO A 502 ? 0.3354 0.3251 0.4712 0.0334 0.0129 0.0308 584 PRO A N 3244 C CA . PRO A 502 ? 0.2408 0.2277 0.3753 0.0340 0.0211 0.0318 584 PRO A CA 3245 C C . PRO A 502 ? 0.2746 0.2619 0.4083 0.0357 0.0220 0.0325 584 PRO A C 3246 O O . PRO A 502 ? 0.1375 0.1262 0.2683 0.0368 0.0162 0.0308 584 PRO A O 3247 C CB . PRO A 502 ? 0.3112 0.2935 0.4358 0.0336 0.0218 0.0275 584 PRO A CB 3248 C CG . PRO A 502 ? 0.3801 0.3639 0.5003 0.0336 0.0136 0.0240 584 PRO A CG 3249 C CD . PRO A 502 ? 0.3172 0.3049 0.4445 0.0330 0.0088 0.0262 584 PRO A CD 3250 N N . SER A 503 ? 0.3613 0.3467 0.4971 0.0361 0.0298 0.0350 585 SER A N 3251 C CA . SER A 503 ? 0.3096 0.2944 0.4443 0.0379 0.0318 0.0360 585 SER A CA 3252 C C . SER A 503 ? 0.3111 0.2909 0.4402 0.0375 0.0399 0.0350 585 SER A C 3253 O O . SER A 503 ? 0.3228 0.2997 0.4506 0.0360 0.0450 0.0346 585 SER A O 3254 C CB . SER A 503 ? 0.1839 0.1719 0.3294 0.0391 0.0330 0.0412 585 SER A CB 3255 O OG . SER A 503 ? 0.3114 0.3037 0.4622 0.0393 0.0253 0.0420 585 SER A OG 3256 N N . HIS A 504 ? 0.3060 0.2841 0.4312 0.0389 0.0412 0.0346 586 HIS A N 3257 C CA . HIS A 504 ? 0.2206 0.1936 0.3409 0.0382 0.0493 0.0340 586 HIS A CA 3258 C C . HIS A 504 ? 0.2701 0.2418 0.3968 0.0383 0.0581 0.0388 586 HIS A C 3259 O O . HIS A 504 ? 0.3260 0.3010 0.4614 0.0399 0.0575 0.0429 586 HIS A O 3260 C CB . HIS A 504 ? 0.1769 0.1482 0.2914 0.0396 0.0485 0.0323 586 HIS A CB 3261 C CG . HIS A 504 ? 0.3102 0.2809 0.4172 0.0390 0.0432 0.0270 586 HIS A CG 3262 N ND1 . HIS A 504 ? 0.3986 0.3661 0.5001 0.0369 0.0454 0.0232 586 HIS A ND1 3263 C CD2 . HIS A 504 ? 0.4245 0.3972 0.5290 0.0404 0.0360 0.0247 586 HIS A CD2 3264 C CE1 . HIS A 504 ? 0.4587 0.4269 0.5558 0.0370 0.0397 0.0190 586 HIS A CE1 3265 N NE2 . HIS A 504 ? 0.4754 0.4466 0.5739 0.0391 0.0343 0.0199 586 HIS A NE2 3266 N N . PRO A 505 ? 0.2875 0.2539 0.4101 0.0367 0.0663 0.0381 587 PRO A N 3267 C CA . PRO A 505 ? 0.3206 0.2843 0.4483 0.0367 0.0760 0.0424 587 PRO A CA 3268 C C . PRO A 505 ? 0.3836 0.3466 0.5134 0.0387 0.0793 0.0454 587 PRO A C 3269 O O . PRO A 505 ? 0.3920 0.3522 0.5143 0.0389 0.0794 0.0431 587 PRO A O 3270 C CB . PRO A 505 ? 0.2794 0.2360 0.3984 0.0344 0.0830 0.0396 587 PRO A CB 3271 C CG . PRO A 505 ? 0.2392 0.1947 0.3490 0.0337 0.0775 0.0342 587 PRO A CG 3272 C CD . PRO A 505 ? 0.2336 0.1955 0.3463 0.0349 0.0668 0.0331 587 PRO A CD 3273 N N . LYS A 506 ? 0.5283 0.4938 0.6686 0.0403 0.0819 0.0505 588 LYS A N 3274 C CA . LYS A 506 ? 0.5489 0.5138 0.6922 0.0428 0.0848 0.0538 588 LYS A CA 3275 C C . LYS A 506 ? 0.3953 0.3526 0.5323 0.0418 0.0954 0.0538 588 LYS A C 3276 O O . LYS A 506 ? 0.4986 0.4512 0.6323 0.0393 0.1022 0.0529 588 LYS A O 3277 C CB . LYS A 506 ? 0.6430 0.6123 0.8006 0.0448 0.0853 0.0595 588 LYS A CB 3278 C CG . LYS A 506 ? 0.8063 0.7822 0.9695 0.0468 0.0741 0.0601 588 LYS A CG 3279 C CD . LYS A 506 ? 0.9098 0.8849 1.0652 0.0491 0.0685 0.0582 588 LYS A CD 3280 C CE . LYS A 506 ? 1.0234 1.0038 1.1829 0.0513 0.0574 0.0587 588 LYS A CE 3281 N NZ . LYS A 506 ? 1.0707 1.0546 1.2437 0.0537 0.0570 0.0643 588 LYS A NZ 3282 N N . GLU A 507 ? 0.3167 0.2721 0.4512 0.0437 0.0967 0.0548 589 GLU A N 3283 C CA . GLU A 507 ? 0.3918 0.3394 0.5199 0.0427 0.1066 0.0548 589 GLU A CA 3284 C C . GLU A 507 ? 0.4701 0.4157 0.6070 0.0438 0.1157 0.0602 589 GLU A C 3285 O O . GLU A 507 ? 0.4115 0.3603 0.5570 0.0471 0.1146 0.0643 589 GLU A O 3286 C CB . GLU A 507 ? 0.4445 0.3902 0.5662 0.0443 0.1049 0.0537 589 GLU A CB 3287 C CG . GLU A 507 ? 0.5561 0.4933 0.6683 0.0421 0.1136 0.0520 589 GLU A CG 3288 C CD . GLU A 507 ? 0.7077 0.6430 0.8126 0.0430 0.1111 0.0499 589 GLU A CD 3289 O OE1 . GLU A 507 ? 0.7746 0.7132 0.8827 0.0467 0.1060 0.0519 589 GLU A OE1 3290 O OE2 . GLU A 507 ? 0.6788 0.6086 0.7747 0.0400 0.1143 0.0462 589 GLU A OE2 3291 N N . GLU A 508 ? 0.5600 0.4997 0.6944 0.0410 0.1245 0.0600 590 GLU A N 3292 C CA . GLU A 508 ? 0.7093 0.6459 0.8518 0.0416 0.1343 0.0649 590 GLU A CA 3293 C C . GLU A 508 ? 0.7673 0.6957 0.9043 0.0418 0.1436 0.0660 590 GLU A C 3294 O O . GLU A 508 ? 0.8697 0.7953 1.0125 0.0434 0.1500 0.0693 590 GLU A O 3295 C CB . GLU A 508 ? 0.8137 0.7466 0.9550 0.0390 0.1389 0.0638 590 GLU A CB 3296 C CG . GLU A 508 ? 0.9604 0.8990 1.1168 0.0399 0.1387 0.0683 590 GLU A CG 3297 C CD . GLU A 508 ? 1.0562 1.0040 1.2164 0.0404 0.1264 0.0667 590 GLU A CD 3298 O OE1 . GLU A 508 ? 1.0460 0.9943 1.1961 0.0391 0.1200 0.0617 590 GLU A OE1 3299 O OE2 . GLU A 508 ? 1.1065 1.0607 1.2801 0.0421 0.1231 0.0703 590 GLU A OE2 3300 N N . GLY A 509 ? 0.6580 0.5827 0.7830 0.0404 0.1423 0.0619 591 GLY A N 3301 C CA . GLY A 509 ? 0.6222 0.5389 0.7390 0.0407 0.1478 0.0606 591 GLY A CA 3302 C C . GLY A 509 ? 0.6391 0.5576 0.7639 0.0444 0.1511 0.0664 591 GLY A C 3303 O O . GLY A 509 ? 0.6439 0.5695 0.7732 0.0474 0.1425 0.0671 591 GLY A O 3304 N N . PHE A 510 ? 0.7080 0.6197 0.8312 0.0455 0.1584 0.0673 592 PHE A N 3305 C CA . PHE A 510 ? 0.6973 0.6093 0.8273 0.0492 0.1628 0.0729 592 PHE A CA 3306 C C . PHE A 510 ? 0.7934 0.7011 0.9120 0.0490 0.1624 0.0702 592 PHE A C 3307 O O . PHE A 510 ? 0.8238 0.7229 0.9328 0.0478 0.1669 0.0671 592 PHE A O 3308 C CB . PHE A 510 ? 0.5580 0.4642 0.6922 0.0507 0.1714 0.0753 592 PHE A CB 3309 N N . LEU A 511 ? 0.7564 0.6698 0.8739 0.0509 0.1530 0.0690 593 LEU A N 3310 C CA . LEU A 511 ? 0.7276 0.6370 0.8340 0.0504 0.1520 0.0660 593 LEU A CA 3311 C C . LEU A 511 ? 0.7209 0.6264 0.8281 0.0545 0.1568 0.0696 593 LEU A C 3312 O O . LEU A 511 ? 0.6842 0.5944 0.7993 0.0596 0.1517 0.0731 593 LEU A O 3313 C CB . LEU A 511 ? 0.7535 0.6693 0.8579 0.0513 0.1399 0.0630 593 LEU A CB 3314 C CG . LEU A 511 ? 0.7224 0.6341 0.8144 0.0484 0.1386 0.0580 593 LEU A CG 3315 C CD1 . LEU A 511 ? 0.5602 0.4685 0.6465 0.0426 0.1415 0.0538 593 LEU A CD1 3316 C CD2 . LEU A 511 ? 0.8538 0.7711 0.9449 0.0505 0.1272 0.0560 593 LEU A CD2 3317 N N . SER A 512 ? 0.7733 0.6697 0.8721 0.0521 0.1663 0.0688 594 SER A N 3318 C CA . SER A 512 ? 0.8150 0.7065 0.9131 0.0558 0.1718 0.0719 594 SER A CA 3319 C C . SER A 512 ? 0.9730 0.8582 1.0582 0.0538 0.1733 0.0684 594 SER A C 3320 O O . SER A 512 ? 1.0362 0.9211 1.1135 0.0495 0.1682 0.0626 594 SER A O 3321 C CB . SER A 512 ? 0.7929 0.6782 0.8937 0.0557 0.1814 0.0738 594 SER A CB 3322 O OG . SER A 512 ? 0.8033 0.6822 0.8936 0.0507 0.1812 0.0668 594 SER A OG 3323 N N . GLN A 513 ? 1.0324 0.9126 1.1152 0.0572 0.1777 0.0708 595 GLN A N 3324 C CA . GLN A 513 ? 0.9875 0.8611 1.0582 0.0555 0.1794 0.0677 595 GLN A CA 3325 C C . GLN A 513 ? 0.8569 0.7206 0.9207 0.0541 0.1859 0.0653 595 GLN A C 3326 O O . GLN A 513 ? 0.7050 0.5661 0.7743 0.0567 0.1923 0.0690 595 GLN A O 3327 C CB . GLN A 513 ? 0.9998 0.8748 1.0698 0.0613 0.1730 0.0695 595 GLN A CB 3328 C CG . GLN A 513 ? 1.0823 0.9650 1.1534 0.0620 0.1604 0.0674 595 GLN A CG 3329 C CD . GLN A 513 ? 1.1680 1.0498 1.2366 0.0675 0.1532 0.0691 595 GLN A CD 3330 O OE1 . GLN A 513 ? 1.1485 1.0333 1.2138 0.0676 0.1443 0.0666 595 GLN A OE1 3331 N NE2 . GLN A 513 ? 1.2515 1.1281 1.3210 0.0723 0.1569 0.0733 595 GLN A NE2 3332 N N . CYS A 514 ? 0.8604 0.7188 0.9133 0.0497 0.1844 0.0591 596 CYS A N 3333 C CA . CYS A 514 ? 0.8344 0.6834 0.8804 0.0473 0.1900 0.0562 596 CYS A CA 3334 C C . CYS A 514 ? 0.8388 0.6817 0.8772 0.0483 0.1930 0.0560 596 CYS A C 3335 O O . CYS A 514 ? 0.8116 0.6532 0.8433 0.0446 0.1895 0.0515 596 CYS A O 3336 C CB . CYS A 514 ? 0.8233 0.6702 0.8637 0.0406 0.1869 0.0492 596 CYS A CB 3337 S SG . CYS A 514 ? 0.9095 0.7619 0.9564 0.0392 0.1837 0.0487 596 CYS A SG 3338 N N . PRO A 515 ? 0.8700 0.7087 0.9100 0.0536 0.2001 0.0614 597 PRO A N 3339 C CA . PRO A 515 ? 0.8562 0.6872 0.8883 0.0554 0.2047 0.0619 597 PRO A CA 3340 C C . PRO A 515 ? 0.9018 0.7232 0.9272 0.0517 0.2102 0.0580 597 PRO A C 3341 O O . PRO A 515 ? 0.9405 0.7616 0.9675 0.0482 0.2103 0.0553 597 PRO A O 3342 C CB . PRO A 515 ? 0.8557 0.6868 0.8942 0.0634 0.2104 0.0704 597 PRO A CB 3343 C CG . PRO A 515 ? 0.8843 0.7192 0.9336 0.0642 0.2121 0.0731 597 PRO A CG 3344 C CD . PRO A 515 ? 0.8600 0.7014 0.9107 0.0586 0.2043 0.0679 597 PRO A CD 3345 N N . ILE A 516 ? 0.9443 0.7577 0.9620 0.0524 0.2149 0.0577 598 ILE A N 3346 C CA . ILE A 516 ? 1.0379 0.8418 1.0496 0.0492 0.2209 0.0544 598 ILE A CA 3347 C C . ILE A 516 ? 1.3042 1.1030 1.3198 0.0535 0.2296 0.0590 598 ILE A C 3348 O O . ILE A 516 ? 1.4200 1.2155 1.4365 0.0599 0.2352 0.0648 598 ILE A O 3349 C CB . ILE A 516 ? 0.8765 0.6728 0.8789 0.0487 0.2239 0.0529 598 ILE A CB 3350 C CG1 . ILE A 516 ? 0.7715 0.5723 0.7709 0.0456 0.2165 0.0495 598 ILE A CG1 3351 C CG2 . ILE A 516 ? 0.8518 0.6386 0.8485 0.0446 0.2300 0.0491 598 ILE A CG2 3352 C CD1 . ILE A 516 ? 0.7836 0.5866 0.7821 0.0376 0.2112 0.0426 598 ILE A CD1 3353 N N . LYS A 517 ? 1.3935 1.1903 1.4105 0.0500 0.2315 0.0565 599 LYS A N 3354 C CA . LYS A 517 ? 1.4509 1.2431 1.4727 0.0539 0.2399 0.0609 599 LYS A CA 3355 C C . LYS A 517 ? 1.6023 1.3845 1.6189 0.0504 0.2468 0.0576 599 LYS A C 3356 O O . LYS A 517 ? 1.6460 1.4214 1.6640 0.0543 0.2557 0.0614 599 LYS A O 3357 C CB . LYS A 517 ? 1.3520 1.1523 1.3845 0.0555 0.2374 0.0637 599 LYS A CB 3358 N N . SER A 518 ? 1.6522 1.4328 1.6626 0.0433 0.2433 0.0508 600 SER A N 3359 C CA . SER A 518 ? 1.6740 1.4452 1.6793 0.0393 0.2494 0.0473 600 SER A CA 3360 C C . SER A 518 ? 1.6761 1.4411 1.6722 0.0338 0.2498 0.0418 600 SER A C 3361 O O . SER A 518 ? 1.6951 1.4622 1.6886 0.0278 0.2443 0.0365 600 SER A O 3362 C CB . SER A 518 ? 1.6244 1.3974 1.6317 0.0356 0.2471 0.0446 600 SER A CB 3363 O OG . SER A 518 ? 1.5841 1.3632 1.5896 0.0309 0.2381 0.0401 600 SER A OG 3364 N N . THR A 519 ? 1.6481 1.4053 1.6399 0.0358 0.2567 0.0431 601 THR A N 3365 C CA . THR A 519 ? 1.6386 1.3896 1.6225 0.0304 0.2579 0.0380 601 THR A CA 3366 C C . THR A 519 ? 1.6477 1.3870 1.6271 0.0292 0.2679 0.0370 601 THR A C 3367 O O . THR A 519 ? 1.6541 1.3884 1.6349 0.0348 0.2754 0.0417 601 THR A O 3368 C CB . THR A 519 ? 1.6521 1.4028 1.6328 0.0331 0.2576 0.0395 601 THR A CB 3369 O OG1 . THR A 519 ? 1.7221 1.4641 1.7005 0.0385 0.2670 0.0436 601 THR A OG1 3370 C CG2 . THR A 519 ? 1.6084 1.3692 1.5940 0.0370 0.2503 0.0428 601 THR A CG2 3371 N N . SER A 520 ? 1.6097 1.3443 1.5841 0.0221 0.2687 0.0311 602 SER A N 3372 C CA . SER A 520 ? 1.4660 1.2057 1.4396 0.0155 0.2608 0.0255 602 SER A CA 3373 C C . SER A 520 ? 1.3768 1.1098 1.3464 0.0093 0.2643 0.0204 602 SER A C 3374 O O . SER A 520 ? 1.4319 1.1557 1.3964 0.0069 0.2716 0.0184 602 SER A O 3375 C CB . SER A 520 ? 1.4403 1.1808 1.4110 0.0132 0.2583 0.0232 602 SER A CB 3376 O OG . SER A 520 ? 1.4201 1.1659 1.3915 0.0071 0.2513 0.0180 602 SER A OG 3377 N N . ASN A 521 ? 1.2179 0.9549 1.1893 0.0067 0.2598 0.0183 603 ASN A N 3378 C CA . ASN A 521 ? 1.0537 0.7835 1.0204 0.0012 0.2639 0.0136 603 ASN A CA 3379 C C . ASN A 521 ? 0.9773 0.7055 0.9399 -0.0062 0.2626 0.0070 603 ASN A C 3380 O O . ASN A 521 ? 0.8724 0.6071 0.8371 -0.0074 0.2567 0.0056 603 ASN A O 3381 C CB . ASN A 521 ? 1.0064 0.7397 0.9754 0.0012 0.2605 0.0136 603 ASN A CB 3382 N N . ASP A 522 ? 1.0278 0.7471 0.9847 -0.0111 0.2689 0.0027 604 ASP A N 3383 C CA . ASP A 522 ? 1.1206 0.8381 1.0738 -0.0186 0.2690 -0.0041 604 ASP A CA 3384 C C . ASP A 522 ? 1.2137 0.9358 1.1668 -0.0224 0.2635 -0.0081 604 ASP A C 3385 O O . ASP A 522 ? 1.1965 0.9149 1.1468 -0.0225 0.2656 -0.0081 604 ASP A O 3386 C CB . ASP A 522 ? 1.0908 0.7958 1.0372 -0.0223 0.2793 -0.0072 604 ASP A CB 3387 N N . LEU A 523 ? 1.2604 0.9901 1.2161 -0.0256 0.2572 -0.0116 605 LEU A N 3388 C CA . LEU A 523 ? 1.1465 0.8810 1.1021 -0.0293 0.2523 -0.0155 605 LEU A CA 3389 C C . LEU A 523 ? 1.0961 0.8238 1.0451 -0.0371 0.2577 -0.0229 605 LEU A C 3390 O O . LEU A 523 ? 0.9551 0.6827 0.9008 -0.0405 0.2564 -0.0263 605 LEU A O 3391 C CB . LEU A 523 ? 1.1126 0.8588 1.0747 -0.0288 0.2434 -0.0159 605 LEU A CB 3392 C CG . LEU A 523 ? 1.0507 0.8045 1.0189 -0.0217 0.2372 -0.0093 605 LEU A CG 3393 C CD1 . LEU A 523 ? 1.0779 0.8421 1.0515 -0.0224 0.2291 -0.0107 605 LEU A CD1 3394 C CD2 . LEU A 523 ? 0.8376 0.5919 0.8060 -0.0178 0.2361 -0.0056 605 LEU A CD2 3395 N N . GLY A 524 ? 1.2389 0.9602 1.1853 -0.0401 0.2641 -0.0253 606 GLY A N 3396 C CA . GLY A 524 ? 1.2704 0.9847 1.2104 -0.0479 0.2703 -0.0327 606 GLY A CA 3397 C C . GLY A 524 ? 1.1765 0.8989 1.1196 -0.0530 0.2652 -0.0385 606 GLY A C 3398 O O . GLY A 524 ? 1.0456 0.7662 0.9840 -0.0581 0.2659 -0.0435 606 GLY A O 3399 N N . CYS A 525 ? 1.1759 0.9067 1.1267 -0.0518 0.2608 -0.0379 607 CYS A N 3400 C CA . CYS A 525 ? 1.1226 0.8621 1.0783 -0.0563 0.2562 -0.0434 607 CYS A CA 3401 C C . CYS A 525 ? 1.1089 0.8492 1.0682 -0.0604 0.2598 -0.0478 607 CYS A C 3402 O O . CYS A 525 ? 1.0242 0.7622 0.9848 -0.0574 0.2620 -0.0444 607 CYS A O 3403 C CB . CYS A 525 ? 1.0369 0.7878 0.9999 -0.0511 0.2464 -0.0391 607 CYS A CB 3404 S SG . CYS A 525 ? 1.4049 1.1565 1.3650 -0.0469 0.2419 -0.0349 607 CYS A SG 3405 N N . THR A 526 ? 1.1727 0.9160 1.1337 -0.0674 0.2607 -0.0558 608 THR A N 3406 C CA . THR A 526 ? 1.1899 0.9352 1.1561 -0.0720 0.2643 -0.0611 608 THR A CA 3407 C C . THR A 526 ? 1.1916 0.9497 1.1685 -0.0708 0.2568 -0.0614 608 THR A C 3408 O O . THR A 526 ? 1.2628 1.0282 1.2432 -0.0725 0.2518 -0.0644 608 THR A O 3409 C CB . THR A 526 ? 1.2098 0.9505 1.1725 -0.0812 0.2710 -0.0708 608 THR A CB 3410 O OG1 . THR A 526 ? 1.2651 0.9926 1.2167 -0.0826 0.2784 -0.0705 608 THR A OG1 3411 C CG2 . THR A 526 ? 1.2153 0.9588 1.1851 -0.0859 0.2752 -0.0768 608 THR A CG2 3412 N N . CYS A 527 ? 1.1417 0.9020 1.1235 -0.0680 0.2565 -0.0585 609 CYS A N 3413 C CA . CYS A 527 ? 1.2268 0.9982 1.2183 -0.0667 0.2498 -0.0584 609 CYS A CA 3414 C C . CYS A 527 ? 1.3641 1.1380 1.3625 -0.0717 0.2542 -0.0647 609 CYS A C 3415 O O . CYS A 527 ? 1.4534 1.2214 1.4500 -0.0712 0.2595 -0.0631 609 CYS A O 3416 C CB . CYS A 527 ? 1.2067 0.9787 1.1979 -0.0589 0.2446 -0.0492 609 CYS A CB 3417 S SG . CYS A 527 ? 1.8760 1.6461 1.8613 -0.0524 0.2397 -0.0419 609 CYS A SG 3418 N N . ASP A 528 ? 1.3407 1.1235 1.3475 -0.0765 0.2523 -0.0719 610 ASP A N 3419 C CA . ASP A 528 ? 1.2569 1.0440 1.2728 -0.0813 0.2564 -0.0789 610 ASP A CA 3420 C C . ASP A 528 ? 1.2752 1.0684 1.2981 -0.0774 0.2519 -0.0749 610 ASP A C 3421 O O . ASP A 528 ? 1.3541 1.1540 1.3798 -0.0735 0.2438 -0.0709 610 ASP A O 3422 C CB . ASP A 528 ? 1.1713 0.9662 1.1953 -0.0881 0.2564 -0.0891 610 ASP A CB 3423 N N . PRO A 529 ? 1.2242 1.0143 1.2492 -0.0787 0.2576 -0.0760 611 PRO A N 3424 C CA . PRO A 529 ? 1.1894 0.9831 1.2195 -0.0759 0.2548 -0.0725 611 PRO A CA 3425 C C . PRO A 529 ? 1.1110 0.9181 1.1542 -0.0777 0.2493 -0.0774 611 PRO A C 3426 O O . PRO A 529 ? 1.0046 0.8159 1.0496 -0.0736 0.2420 -0.0724 611 PRO A O 3427 C CB . PRO A 529 ? 1.1474 0.9349 1.1777 -0.0790 0.2642 -0.0757 611 PRO A CB 3428 C CG . PRO A 529 ? 1.1577 0.9352 1.1787 -0.0805 0.2709 -0.0766 611 PRO A CG 3429 C CD . PRO A 529 ? 1.1641 0.9453 1.1851 -0.0828 0.2678 -0.0802 611 PRO A CD 3430 N N . GLU A 546 ? 1.2252 1.0460 1.1859 0.0518 0.1565 0.0366 628 GLU A N 3431 C CA . GLU A 546 ? 1.1943 1.0130 1.1575 0.0464 0.1657 0.0366 628 GLU A CA 3432 C C . GLU A 546 ? 0.9912 0.8228 0.9694 0.0425 0.1607 0.0346 628 GLU A C 3433 O O . GLU A 546 ? 0.7663 0.6036 0.7519 0.0363 0.1581 0.0296 628 GLU A O 3434 C CB . GLU A 546 ? 1.2566 1.0658 1.2111 0.0514 0.1732 0.0418 628 GLU A CB 3435 C CG . GLU A 546 ? 1.2769 1.0881 1.2316 0.0604 0.1647 0.0462 628 GLU A CG 3436 C CD . GLU A 546 ? 1.2774 1.0856 1.2327 0.0640 0.1690 0.0506 628 GLU A CD 3437 O OE1 . GLU A 546 ? 1.3102 1.1102 1.2579 0.0707 0.1670 0.0549 628 GLU A OE1 3438 O OE2 . GLU A 546 ? 1.1987 1.0121 1.1621 0.0598 0.1737 0.0498 628 GLU A OE2 3439 N N . ASP A 547 ? 0.9949 0.8305 0.9773 0.0465 0.1592 0.0383 629 ASP A N 3440 C CA . ASP A 547 ? 0.8861 0.7321 0.8804 0.0438 0.1551 0.0373 629 ASP A CA 3441 C C . ASP A 547 ? 0.7631 0.6209 0.7658 0.0442 0.1431 0.0344 629 ASP A C 3442 O O . ASP A 547 ? 0.6996 0.5648 0.7102 0.0397 0.1399 0.0311 629 ASP A O 3443 C CB . ASP A 547 ? 0.8552 0.7013 0.8514 0.0486 0.1569 0.0424 629 ASP A CB 3444 C CG . ASP A 547 ? 0.8571 0.6955 0.8502 0.0453 0.1686 0.0436 629 ASP A CG 3445 O OD1 . ASP A 547 ? 0.8587 0.6941 0.8507 0.0389 0.1701 0.0386 629 ASP A OD1 3446 O OD2 . ASP A 547 ? 0.8326 0.6693 0.8261 0.0496 0.1719 0.0476 629 ASP A OD2 3447 N N . ASP A 548 ? 0.7000 0.5588 0.7003 0.0497 0.1363 0.0356 630 ASP A N 3448 C CA . ASP A 548 ? 0.5028 0.3720 0.5105 0.0504 0.1250 0.0330 630 ASP A CA 3449 C C . ASP A 548 ? 0.4709 0.3427 0.4796 0.0453 0.1236 0.0268 630 ASP A C 3450 O O . ASP A 548 ? 0.4689 0.3505 0.4855 0.0439 0.1156 0.0234 630 ASP A O 3451 C CB . ASP A 548 ? 0.4845 0.3523 0.4889 0.0574 0.1176 0.0363 630 ASP A CB 3452 C CG . ASP A 548 ? 0.5785 0.4352 0.5702 0.0590 0.1209 0.0358 630 ASP A CG 3453 O OD1 . ASP A 548 ? 0.8411 0.6863 0.8225 0.0615 0.1281 0.0393 630 ASP A OD1 3454 O OD2 . ASP A 548 ? 0.4299 0.2886 0.4211 0.0579 0.1166 0.0319 630 ASP A OD2 3455 N N . ASP A 549 ? 0.5427 0.4057 0.5439 0.0425 0.1311 0.0251 631 ASP A N 3456 C CA . ASP A 549 ? 0.6580 0.5243 0.6623 0.0375 0.1295 0.0187 631 ASP A CA 3457 C C . ASP A 549 ? 0.5722 0.4448 0.5857 0.0312 0.1294 0.0149 631 ASP A C 3458 O O . ASP A 549 ? 0.5453 0.4267 0.5662 0.0286 0.1232 0.0098 631 ASP A O 3459 C CB . ASP A 549 ? 0.7868 0.6414 0.7814 0.0357 0.1379 0.0178 631 ASP A CB 3460 C CG . ASP A 549 ? 0.9855 0.8315 0.9680 0.0420 0.1382 0.0211 631 ASP A CG 3461 O OD1 . ASP A 549 ? 0.9669 0.8048 0.9413 0.0467 0.1420 0.0268 631 ASP A OD1 3462 O OD2 . ASP A 549 ? 1.1264 0.9733 1.1073 0.0426 0.1343 0.0178 631 ASP A OD2 3463 N N . ILE A 550 ? 0.5164 0.3837 0.5288 0.0291 0.1365 0.0176 632 ILE A N 3464 C CA . ILE A 550 ? 0.5107 0.3813 0.5301 0.0232 0.1374 0.0142 632 ILE A CA 3465 C C . ILE A 550 ? 0.4003 0.2801 0.4264 0.0246 0.1305 0.0147 632 ILE A C 3466 O O . ILE A 550 ? 0.3820 0.2662 0.4137 0.0204 0.1285 0.0109 632 ILE A O 3467 C CB . ILE A 550 ? 0.6397 0.4996 0.6547 0.0200 0.1482 0.0166 632 ILE A CB 3468 C CG1 . ILE A 550 ? 0.8125 0.6734 0.8335 0.0127 0.1496 0.0110 632 ILE A CG1 3469 C CG2 . ILE A 550 ? 0.5987 0.4571 0.6123 0.0235 0.1507 0.0224 632 ILE A CG2 3470 C CD1 . ILE A 550 ? 0.9072 0.7705 0.9315 0.0090 0.1480 0.0048 632 ILE A CD1 3471 N N . TYR A 551 ? 0.4318 0.3139 0.4572 0.0304 0.1270 0.0192 633 TYR A N 3472 C CA . TYR A 551 ? 0.3649 0.2553 0.3968 0.0318 0.1206 0.0200 633 TYR A CA 3473 C C . TYR A 551 ? 0.3466 0.2463 0.3838 0.0312 0.1110 0.0152 633 TYR A C 3474 O O . TYR A 551 ? 0.4153 0.3200 0.4574 0.0281 0.1081 0.0122 633 TYR A O 3475 C CB . TYR A 551 ? 0.3212 0.2120 0.3525 0.0382 0.1190 0.0259 633 TYR A CB 3476 C CG . TYR A 551 ? 0.2030 0.1024 0.2417 0.0398 0.1120 0.0269 633 TYR A CG 3477 C CD1 . TYR A 551 ? 0.1941 0.1009 0.2366 0.0422 0.1020 0.0255 633 TYR A CD1 3478 C CD2 . TYR A 551 ? 0.2036 0.1030 0.2453 0.0387 0.1160 0.0292 633 TYR A CD2 3479 C CE1 . TYR A 551 ? 0.2629 0.1768 0.3119 0.0432 0.0962 0.0265 633 TYR A CE1 3480 C CE2 . TYR A 551 ? 0.1959 0.1022 0.2441 0.0398 0.1107 0.0302 633 TYR A CE2 3481 C CZ . TYR A 551 ? 0.3427 0.2562 0.3947 0.0420 0.1010 0.0290 633 TYR A CZ 3482 O OH . TYR A 551 ? 0.3657 0.2852 0.4246 0.0427 0.0972 0.0305 633 TYR A OH 3483 N N . HIS A 552 ? 0.3104 0.2114 0.3458 0.0344 0.1064 0.0146 634 HIS A N 3484 C CA . HIS A 552 ? 0.4291 0.3385 0.4692 0.0345 0.0973 0.0103 634 HIS A CA 3485 C C . HIS A 552 ? 0.4696 0.3815 0.5129 0.0291 0.0977 0.0040 634 HIS A C 3486 O O . HIS A 552 ? 0.4881 0.4077 0.5364 0.0285 0.0907 0.0001 634 HIS A O 3487 C CB . HIS A 552 ? 0.5227 0.4303 0.5587 0.0386 0.0942 0.0107 634 HIS A CB 3488 C CG . HIS A 552 ? 0.4572 0.3722 0.4972 0.0388 0.0856 0.0061 634 HIS A CG 3489 N ND1 . HIS A 552 ? 0.4309 0.3539 0.4766 0.0402 0.0770 0.0059 634 HIS A ND1 3490 C CD2 . HIS A 552 ? 0.4721 0.3875 0.5113 0.0378 0.0848 0.0014 634 HIS A CD2 3491 C CE1 . HIS A 552 ? 0.5204 0.4481 0.5681 0.0402 0.0710 0.0015 634 HIS A CE1 3492 N NE2 . HIS A 552 ? 0.5295 0.4531 0.5738 0.0389 0.0756 -0.0014 634 HIS A NE2 3493 N N . MSE A 553 ? 0.5023 0.4076 0.5431 0.0253 0.1059 0.0031 635 MSE A N 3494 C CA . MSE A 553 ? 0.5652 0.4727 0.6102 0.0200 0.1069 -0.0029 635 MSE A CA 3495 C C . MSE A 553 ? 0.5259 0.4362 0.5754 0.0168 0.1064 -0.0044 635 MSE A C 3496 O O . MSE A 553 ? 0.5433 0.4587 0.5983 0.0138 0.1034 -0.0097 635 MSE A O 3497 C CB . MSE A 553 ? 0.7200 0.6185 0.7609 0.0168 0.1162 -0.0033 635 MSE A CB 3498 C CG . MSE A 553 ? 0.7456 0.6469 0.7915 0.0123 0.1167 -0.0098 635 MSE A CG 3499 SE SE . MSE A 553 ? 1.5003 1.3890 1.5399 0.0091 0.1286 -0.0096 635 MSE A SE 3500 C CE . MSE A 553 ? 0.4838 0.3666 0.5122 0.0166 0.1281 -0.0038 635 MSE A CE 3501 N N . THR A 554 ? 0.4531 0.3595 0.5002 0.0177 0.1097 0.0002 636 THR A N 3502 C CA . THR A 554 ? 0.4737 0.3806 0.5233 0.0148 0.1106 -0.0008 636 THR A CA 3503 C C . THR A 554 ? 0.4782 0.3920 0.5311 0.0173 0.1034 -0.0002 636 THR A C 3504 O O . THR A 554 ? 0.4364 0.3529 0.4923 0.0149 0.1014 -0.0034 636 THR A O 3505 C CB . THR A 554 ? 0.3906 0.2886 0.4358 0.0139 0.1195 0.0037 636 THR A CB 3506 O OG1 . THR A 554 ? 0.5065 0.4034 0.5490 0.0191 0.1197 0.0099 636 THR A OG1 3507 C CG2 . THR A 554 ? 0.2494 0.1393 0.2915 0.0104 0.1276 0.0026 636 THR A CG2 3508 N N . VAL A 555 ? 0.4254 0.3417 0.4779 0.0221 0.0996 0.0038 637 VAL A N 3509 C CA . VAL A 555 ? 0.4572 0.3799 0.5135 0.0244 0.0927 0.0045 637 VAL A CA 3510 C C . VAL A 555 ? 0.4966 0.4249 0.5542 0.0279 0.0848 0.0038 637 VAL A C 3511 O O . VAL A 555 ? 0.4775 0.4067 0.5348 0.0319 0.0821 0.0077 637 VAL A O 3512 C CB . VAL A 555 ? 0.4679 0.3886 0.5240 0.0265 0.0957 0.0104 637 VAL A CB 3513 C CG1 . VAL A 555 ? 0.4792 0.3962 0.5351 0.0230 0.1013 0.0100 637 VAL A CG1 3514 C CG2 . VAL A 555 ? 0.4097 0.3253 0.4621 0.0294 0.1005 0.0151 637 VAL A CG2 3515 N N . PRO A 556 ? 0.4445 0.3764 0.5040 0.0264 0.0808 -0.0015 638 PRO A N 3516 C CA . PRO A 556 ? 0.4086 0.3446 0.4686 0.0293 0.0741 -0.0030 638 PRO A CA 3517 C C . PRO A 556 ? 0.3567 0.2987 0.4200 0.0319 0.0661 -0.0021 638 PRO A C 3518 O O . PRO A 556 ? 0.2052 0.1497 0.2683 0.0349 0.0604 -0.0023 638 PRO A O 3519 C CB . PRO A 556 ? 0.3926 0.3310 0.4551 0.0262 0.0736 -0.0091 638 PRO A CB 3520 C CG . PRO A 556 ? 0.3109 0.2496 0.3764 0.0223 0.0758 -0.0112 638 PRO A CG 3521 C CD . PRO A 556 ? 0.3199 0.2523 0.3818 0.0218 0.0825 -0.0067 638 PRO A CD 3522 N N . TYR A 557 ? 0.4374 0.3807 0.5033 0.0307 0.0659 -0.0011 639 TYR A N 3523 C CA . TYR A 557 ? 0.1327 0.0810 0.2018 0.0325 0.0591 -0.0001 639 TYR A CA 3524 C C . TYR A 557 ? 0.3690 0.3160 0.4386 0.0344 0.0611 0.0057 639 TYR A C 3525 O O . TYR A 557 ? 0.2467 0.1973 0.3196 0.0355 0.0568 0.0074 639 TYR A O 3526 C CB . TYR A 557 ? 0.3563 0.3070 0.4279 0.0299 0.0571 -0.0036 639 TYR A CB 3527 C CG . TYR A 557 ? 0.3087 0.2601 0.3809 0.0273 0.0571 -0.0093 639 TYR A CG 3528 C CD1 . TYR A 557 ? 0.2985 0.2528 0.3715 0.0284 0.0533 -0.0121 639 TYR A CD1 3529 C CD2 . TYR A 557 ? 0.2303 0.1792 0.3025 0.0238 0.0613 -0.0119 639 TYR A CD2 3530 C CE1 . TYR A 557 ? 0.4009 0.3564 0.4761 0.0259 0.0538 -0.0171 639 TYR A CE1 3531 C CE2 . TYR A 557 ? 0.2269 0.1771 0.3013 0.0213 0.0612 -0.0172 639 TYR A CE2 3532 C CZ . TYR A 557 ? 0.4013 0.3552 0.4779 0.0223 0.0576 -0.0197 639 TYR A CZ 3533 O OH . TYR A 557 ? 0.4900 0.4458 0.5704 0.0196 0.0579 -0.0249 639 TYR A OH 3534 N N . GLY A 558 ? 0.4928 0.4347 0.5597 0.0346 0.0680 0.0088 640 GLY A N 3535 C CA . GLY A 558 ? 0.4553 0.3958 0.5236 0.0364 0.0711 0.0144 640 GLY A CA 3536 C C . GLY A 558 ? 0.4416 0.3780 0.5093 0.0334 0.0790 0.0153 640 GLY A C 3537 O O . GLY A 558 ? 0.1476 0.0842 0.2154 0.0303 0.0790 0.0117 640 GLY A O 3538 N N . ARG A 559 ? 0.4262 0.3585 0.4931 0.0345 0.0855 0.0198 641 ARG A N 3539 C CA . ARG A 559 ? 0.3191 0.2464 0.3850 0.0319 0.0937 0.0210 641 ARG A CA 3540 C C . ARG A 559 ? 0.3790 0.3091 0.4489 0.0313 0.0924 0.0216 641 ARG A C 3541 O O . ARG A 559 ? 0.3632 0.2988 0.4379 0.0337 0.0870 0.0236 641 ARG A O 3542 C CB . ARG A 559 ? 0.4197 0.3423 0.4847 0.0339 0.1007 0.0262 641 ARG A CB 3543 C CG . ARG A 559 ? 0.4805 0.4074 0.5508 0.0386 0.0972 0.0309 641 ARG A CG 3544 C CD . ARG A 559 ? 0.4904 0.4129 0.5610 0.0408 0.1047 0.0360 641 ARG A CD 3545 N NE . ARG A 559 ? 0.5086 0.4294 0.5824 0.0393 0.1111 0.0382 641 ARG A NE 3546 C CZ . ARG A 559 ? 0.5133 0.4379 0.5947 0.0417 0.1107 0.0422 641 ARG A CZ 3547 N NH1 . ARG A 559 ? 0.4430 0.3735 0.5299 0.0455 0.1033 0.0442 641 ARG A NH1 3548 N NH2 . ARG A 559 ? 0.6289 0.5508 0.7126 0.0400 0.1177 0.0440 641 ARG A NH2 3549 N N . PRO A 560 ? 0.4339 0.3596 0.5013 0.0278 0.0976 0.0199 642 PRO A N 3550 C CA . PRO A 560 ? 0.3549 0.2813 0.4246 0.0272 0.0982 0.0207 642 PRO A CA 3551 C C . PRO A 560 ? 0.3776 0.3041 0.4519 0.0298 0.1025 0.0270 642 PRO A C 3552 O O . PRO A 560 ? 0.3984 0.3205 0.4717 0.0305 0.1093 0.0301 642 PRO A O 3553 C CB . PRO A 560 ? 0.2738 0.1930 0.3379 0.0232 0.1047 0.0178 642 PRO A CB 3554 C CG . PRO A 560 ? 0.1678 0.0857 0.2286 0.0213 0.1036 0.0135 642 PRO A CG 3555 C CD . PRO A 560 ? 0.3517 0.2713 0.4138 0.0241 0.1027 0.0164 642 PRO A CD 3556 N N . ARG A 561 ? 0.1609 0.0925 0.2409 0.0313 0.0987 0.0287 643 ARG A N 3557 C CA . ARG A 561 ? 0.4677 0.4005 0.5543 0.0337 0.1023 0.0345 643 ARG A CA 3558 C C . ARG A 561 ? 0.4544 0.3818 0.5405 0.0316 0.1111 0.0358 643 ARG A C 3559 O O . ARG A 561 ? 0.4942 0.4193 0.5763 0.0290 0.1112 0.0325 643 ARG A O 3560 C CB . ARG A 561 ? 0.4232 0.3641 0.5173 0.0360 0.0942 0.0359 643 ARG A CB 3561 C CG . ARG A 561 ? 0.3945 0.3399 0.4882 0.0380 0.0852 0.0342 643 ARG A CG 3562 C CD . ARG A 561 ? 0.4432 0.3867 0.5360 0.0406 0.0872 0.0368 643 ARG A CD 3563 N NE . ARG A 561 ? 0.4012 0.3447 0.4886 0.0412 0.0819 0.0334 643 ARG A NE 3564 C CZ . ARG A 561 ? 0.3052 0.2530 0.3940 0.0437 0.0734 0.0330 643 ARG A CZ 3565 N NH1 . ARG A 561 ? 0.3846 0.3374 0.4805 0.0456 0.0686 0.0358 643 ARG A NH1 3566 N NH2 . ARG A 561 ? 0.1681 0.1148 0.2514 0.0440 0.0699 0.0298 643 ARG A NH2 3567 N N . ILE A 562 ? 0.4109 0.3355 0.5006 0.0330 0.1186 0.0407 644 ILE A N 3568 C CA . ILE A 562 ? 0.3812 0.2992 0.4700 0.0311 0.1282 0.0423 644 ILE A CA 3569 C C . ILE A 562 ? 0.4606 0.3827 0.5577 0.0322 0.1279 0.0452 644 ILE A C 3570 O O . ILE A 562 ? 0.5127 0.4393 0.6196 0.0351 0.1279 0.0499 644 ILE A O 3571 C CB . ILE A 562 ? 0.3642 0.2767 0.4524 0.0325 0.1357 0.0452 644 ILE A CB 3572 C CG1 . ILE A 562 ? 0.2751 0.1841 0.3563 0.0318 0.1360 0.0431 644 ILE A CG1 3573 C CG2 . ILE A 562 ? 0.4296 0.3344 0.5127 0.0312 0.1413 0.0433 644 ILE A CG2 3574 C CD1 . ILE A 562 ? 0.2471 0.1508 0.3180 0.0277 0.1351 0.0367 644 ILE A CD1 3575 N N . LEU A 563 ? 0.4670 0.3874 0.5603 0.0298 0.1276 0.0422 645 LEU A N 3576 C CA . LEU A 563 ? 0.4155 0.3388 0.5157 0.0303 0.1278 0.0444 645 LEU A CA 3577 C C . LEU A 563 ? 0.4478 0.3640 0.5455 0.0305 0.1350 0.0448 645 LEU A C 3578 O O . LEU A 563 ? 0.4854 0.4020 0.5882 0.0311 0.1371 0.0465 645 LEU A O 3579 C CB . LEU A 563 ? 0.3912 0.3159 0.4865 0.0287 0.1216 0.0396 645 LEU A CB 3580 C CG . LEU A 563 ? 0.4834 0.4177 0.5840 0.0305 0.1097 0.0386 645 LEU A CG 3581 C CD1 . LEU A 563 ? 0.4946 0.4326 0.5952 0.0320 0.1039 0.0380 645 LEU A CD1 3582 C CD2 . LEU A 563 ? 0.5745 0.5085 0.6692 0.0289 0.1045 0.0337 645 LEU A CD2 3583 N N . LEU A 564 ? 0.4425 0.3515 0.5330 0.0301 0.1396 0.0433 646 LEU A N 3584 C CA . LEU A 564 ? 0.4697 0.3705 0.5573 0.0302 0.1474 0.0435 646 LEU A CA 3585 C C . LEU A 564 ? 0.6856 0.5896 0.7857 0.0334 0.1508 0.0495 646 LEU A C 3586 O O . LEU A 564 ? 0.7647 0.6735 0.8719 0.0356 0.1497 0.0532 646 LEU A O 3587 C CB . LEU A 564 ? 0.3797 0.2722 0.4568 0.0286 0.1509 0.0403 646 LEU A CB 3588 C CG . LEU A 564 ? 0.2953 0.1824 0.3602 0.0249 0.1496 0.0343 646 LEU A CG 3589 C CD1 . LEU A 564 ? 0.3356 0.2150 0.3922 0.0232 0.1533 0.0317 646 LEU A CD1 3590 C CD2 . LEU A 564 ? 0.2329 0.1144 0.2925 0.0232 0.1525 0.0320 646 LEU A CD2 3591 N N . LYS A 565 ? 0.8334 0.7340 0.9369 0.0339 0.1561 0.0510 647 LYS A N 3592 C CA . LYS A 565 ? 0.8704 0.7739 0.9875 0.0368 0.1600 0.0569 647 LYS A CA 3593 C C . LYS A 565 ? 0.9568 0.8503 1.0715 0.0371 0.1696 0.0572 647 LYS A C 3594 O O . LYS A 565 ? 1.1750 1.0615 1.2844 0.0356 0.1739 0.0550 647 LYS A O 3595 C CB . LYS A 565 ? 0.7176 0.6280 0.8461 0.0374 0.1575 0.0596 647 LYS A CB 3596 N N . GLN A 566 ? 0.7896 0.6816 0.9081 0.0392 0.1736 0.0602 648 GLN A N 3597 C CA . GLN A 566 ? 0.7510 0.6496 0.8749 0.0411 0.1701 0.0631 648 GLN A CA 3598 C C . GLN A 566 ? 0.7755 0.6668 0.8879 0.0403 0.1727 0.0603 648 GLN A C 3599 O O . GLN A 566 ? 0.7484 0.6361 0.8641 0.0424 0.1788 0.0632 648 GLN A O 3600 C CB . GLN A 566 ? 0.6977 0.6019 0.8395 0.0449 0.1732 0.0707 648 GLN A CB 3601 N N . HIS A 567 ? 0.7065 0.5956 0.8063 0.0373 0.1683 0.0546 649 HIS A N 3602 C CA . HIS A 567 ? 0.6227 0.5044 0.7108 0.0355 0.1703 0.0510 649 HIS A CA 3603 C C . HIS A 567 ? 0.7016 0.5859 0.7929 0.0379 0.1700 0.0539 649 HIS A C 3604 O O . HIS A 567 ? 0.7321 0.6249 0.8308 0.0399 0.1653 0.0569 649 HIS A O 3605 C CB . HIS A 567 ? 0.5445 0.4247 0.6211 0.0316 0.1650 0.0447 649 HIS A CB 3606 C CG . HIS A 567 ? 0.5507 0.4211 0.6149 0.0286 0.1683 0.0401 649 HIS A CG 3607 N ND1 . HIS A 567 ? 0.4648 0.3268 0.5200 0.0255 0.1716 0.0361 649 HIS A ND1 3608 C CD2 . HIS A 567 ? 0.6885 0.5554 0.7482 0.0282 0.1697 0.0391 649 HIS A CD2 3609 C CE1 . HIS A 567 ? 0.6077 0.4620 0.6537 0.0230 0.1744 0.0328 649 HIS A CE1 3610 N NE2 . HIS A 567 ? 0.7103 0.5677 0.7591 0.0246 0.1731 0.0344 649 HIS A NE2 3611 N N . ARG A 568 ? 0.7224 0.5990 0.8077 0.0378 0.1754 0.0530 650 ARG A N 3612 C CA . ARG A 568 ? 0.7252 0.6026 0.8115 0.0400 0.1760 0.0554 650 ARG A CA 3613 C C . ARG A 568 ? 0.6810 0.5564 0.7560 0.0368 0.1717 0.0501 650 ARG A C 3614 O O . ARG A 568 ? 0.6034 0.4710 0.6683 0.0335 0.1737 0.0454 650 ARG A O 3615 C CB . ARG A 568 ? 0.7491 0.6192 0.8363 0.0418 0.1849 0.0579 650 ARG A CB 3616 N N . VAL A 569 ? 0.6400 0.5222 0.7172 0.0379 0.1661 0.0511 651 VAL A N 3617 C CA . VAL A 569 ? 0.5188 0.3999 0.5871 0.0349 0.1618 0.0464 651 VAL A CA 3618 C C . VAL A 569 ? 0.4424 0.3242 0.5107 0.0373 0.1620 0.0487 651 VAL A C 3619 O O . VAL A 569 ? 0.4110 0.2987 0.4874 0.0412 0.1613 0.0539 651 VAL A O 3620 C CB . VAL A 569 ? 0.4818 0.3695 0.5508 0.0331 0.1543 0.0440 651 VAL A CB 3621 C CG1 . VAL A 569 ? 0.4605 0.3467 0.5215 0.0299 0.1506 0.0390 651 VAL A CG1 3622 C CG2 . VAL A 569 ? 0.4330 0.3195 0.5013 0.0311 0.1543 0.0418 651 VAL A CG2 3623 N N . CYS A 570 ? 0.4252 0.3008 0.4845 0.0350 0.1634 0.0450 652 CYS A N 3624 C CA . CYS A 570 ? 0.4340 0.3091 0.4912 0.0368 0.1636 0.0464 652 CYS A CA 3625 C C . CYS A 570 ? 0.4717 0.3484 0.5238 0.0336 0.1579 0.0420 652 CYS A C 3626 O O . CYS A 570 ? 0.5897 0.4650 0.6376 0.0293 0.1556 0.0368 652 CYS A O 3627 C CB . CYS A 570 ? 0.3602 0.2264 0.4120 0.0367 0.1705 0.0461 652 CYS A CB 3628 S SG . CYS A 570 ? 1.7454 1.6098 1.8049 0.0422 0.1784 0.0531 652 CYS A SG 3629 N N . LEU A 571 ? 0.3380 0.2175 0.3907 0.0361 0.1562 0.0442 653 LEU A N 3630 C CA . LEU A 571 ? 0.3108 0.1914 0.3593 0.0334 0.1516 0.0404 653 LEU A CA 3631 C C . LEU A 571 ? 0.3823 0.2557 0.4232 0.0322 0.1551 0.0384 653 LEU A C 3632 O O . LEU A 571 ? 0.6694 0.5409 0.7093 0.0358 0.1580 0.0420 653 LEU A O 3633 C CB . LEU A 571 ? 0.3404 0.2282 0.3937 0.0365 0.1474 0.0438 653 LEU A CB 3634 C CG . LEU A 571 ? 0.3532 0.2494 0.4139 0.0375 0.1406 0.0440 653 LEU A CG 3635 C CD1 . LEU A 571 ? 0.3462 0.2499 0.4105 0.0420 0.1309 0.0447 653 LEU A CD1 3636 C CD2 . LEU A 571 ? 0.3106 0.2073 0.3694 0.0323 0.1379 0.0388 653 LEU A CD2 3637 N N . LEU A 572 ? 0.3037 0.1728 0.3397 0.0271 0.1552 0.0328 654 LEU A N 3638 C CA . LEU A 572 ? 0.4013 0.2633 0.4311 0.0252 0.1589 0.0305 654 LEU A CA 3639 C C . LEU A 572 ? 0.4677 0.3308 0.4957 0.0225 0.1556 0.0272 654 LEU A C 3640 O O . LEU A 572 ? 0.4835 0.3490 0.5125 0.0184 0.1522 0.0226 654 LEU A O 3641 C CB . LEU A 572 ? 0.5559 0.4116 0.5822 0.0210 0.1625 0.0267 654 LEU A CB 3642 C CG . LEU A 572 ? 0.6555 0.5055 0.6807 0.0232 0.1690 0.0295 654 LEU A CG 3643 C CD1 . LEU A 572 ? 0.5723 0.4268 0.6037 0.0272 0.1689 0.0341 654 LEU A CD1 3644 C CD2 . LEU A 572 ? 0.6745 0.5177 0.6953 0.0185 0.1725 0.0250 654 LEU A CD2 3645 N N . GLN A 573 ? 0.5674 0.4285 0.5929 0.0252 0.1574 0.0296 655 GLN A N 3646 C CA . GLN A 573 ? 0.5459 0.4075 0.5698 0.0232 0.1551 0.0269 655 GLN A CA 3647 C C . GLN A 573 ? 0.4928 0.3471 0.5120 0.0189 0.1590 0.0227 655 GLN A C 3648 O O . GLN A 573 ? 0.4930 0.3405 0.5079 0.0199 0.1646 0.0242 655 GLN A O 3649 C CB . GLN A 573 ? 0.5433 0.4055 0.5659 0.0284 0.1553 0.0317 655 GLN A CB 3650 C CG . GLN A 573 ? 0.5460 0.4083 0.5667 0.0266 0.1532 0.0292 655 GLN A CG 3651 C CD . GLN A 573 ? 0.6199 0.4902 0.6467 0.0239 0.1467 0.0261 655 GLN A CD 3652 O OE1 . GLN A 573 ? 0.6534 0.5245 0.6823 0.0187 0.1454 0.0208 655 GLN A OE1 3653 N NE2 . GLN A 573 ? 0.4728 0.3511 0.5028 0.0287 0.1387 0.0273 655 GLN A NE2 3654 N N . GLN A 574 ? 0.5477 0.4040 0.5688 0.0141 0.1563 0.0175 656 GLN A N 3655 C CA . GLN A 574 ? 0.5918 0.4426 0.6104 0.0095 0.1599 0.0130 656 GLN A CA 3656 C C . GLN A 574 ? 0.6331 0.4855 0.6527 0.0083 0.1582 0.0111 656 GLN A C 3657 O O . GLN A 574 ? 0.7732 0.6301 0.7943 0.0113 0.1547 0.0136 656 GLN A O 3658 C CB . GLN A 574 ? 0.6491 0.5005 0.6703 0.0040 0.1597 0.0075 656 GLN A CB 3659 C CG . GLN A 574 ? 0.6547 0.5017 0.6732 0.0043 0.1633 0.0085 656 GLN A CG 3660 C CD . GLN A 574 ? 0.6973 0.5485 0.7178 0.0079 0.1605 0.0121 656 GLN A CD 3661 O OE1 . GLN A 574 ? 0.7741 0.6218 0.7926 0.0102 0.1639 0.0151 656 GLN A OE1 3662 N NE2 . GLN A 574 ? 0.6960 0.5547 0.7209 0.0082 0.1548 0.0117 656 GLN A NE2 3663 N N . GLN A 575 ? 0.5260 0.3746 0.5452 0.0037 0.1613 0.0066 657 GLN A N 3664 C CA . GLN A 575 ? 0.5437 0.3929 0.5641 0.0023 0.1610 0.0046 657 GLN A CA 3665 C C . GLN A 575 ? 0.5261 0.3837 0.5550 -0.0017 0.1563 -0.0006 657 GLN A C 3666 O O . GLN A 575 ? 0.7266 0.5865 0.7582 -0.0025 0.1551 -0.0021 657 GLN A O 3667 C CB . GLN A 575 ? 0.7754 0.6164 0.7919 -0.0007 0.1672 0.0022 657 GLN A CB 3668 C CG . GLN A 575 ? 1.0377 0.8696 1.0452 0.0037 0.1723 0.0074 657 GLN A CG 3669 C CD . GLN A 575 ? 1.2644 1.0875 1.2681 0.0005 0.1789 0.0049 657 GLN A CD 3670 O OE1 . GLN A 575 ? 1.3442 1.1684 1.3528 -0.0053 0.1799 -0.0009 657 GLN A OE1 3671 N NE2 . GLN A 575 ? 1.3237 1.1380 1.3187 0.0043 0.1838 0.0093 657 GLN A NE2 3672 N N . GLN A 576 ? 0.3649 0.2267 0.3980 -0.0041 0.1541 -0.0033 658 GLN A N 3673 C CA . GLN A 576 ? 0.3425 0.2124 0.3841 -0.0077 0.1500 -0.0084 658 GLN A CA 3674 C C . GLN A 576 ? 0.2903 0.1663 0.3340 -0.0052 0.1444 -0.0067 658 GLN A C 3675 O O . GLN A 576 ? 0.3909 0.2764 0.4399 -0.0046 0.1366 -0.0106 658 GLN A O 3676 C CB . GLN A 576 ? 0.5186 0.3883 0.5639 -0.0137 0.1527 -0.0151 658 GLN A CB 3677 C CG . GLN A 576 ? 0.5809 0.4464 0.6264 -0.0169 0.1576 -0.0181 658 GLN A CG 3678 C CD . GLN A 576 ? 0.6255 0.4969 0.6788 -0.0188 0.1556 -0.0218 658 GLN A CD 3679 O OE1 . GLN A 576 ? 0.6525 0.5232 0.7036 -0.0157 0.1547 -0.0184 658 GLN A OE1 3680 N NE2 . GLN A 576 ? 0.6476 0.5252 0.7105 -0.0240 0.1552 -0.0289 658 GLN A NE2 3681 N N . PHE A 577 ? 0.3048 0.1772 0.3436 -0.0022 0.1457 -0.0021 659 PHE A N 3682 C CA . PHE A 577 ? 0.4311 0.3082 0.4718 -0.0002 0.1418 -0.0002 659 PHE A CA 3683 C C . PHE A 577 ? 0.4518 0.3271 0.4886 0.0053 0.1423 0.0064 659 PHE A C 3684 O O . PHE A 577 ? 0.4005 0.2700 0.4324 0.0073 0.1464 0.0093 659 PHE A O 3685 C CB . PHE A 577 ? 0.4940 0.3707 0.5356 -0.0043 0.1428 -0.0048 659 PHE A CB 3686 C CG . PHE A 577 ? 0.4794 0.3482 0.5149 -0.0051 0.1483 -0.0045 659 PHE A CG 3687 C CD1 . PHE A 577 ? 0.5585 0.4226 0.5926 -0.0087 0.1528 -0.0079 659 PHE A CD1 3688 C CD2 . PHE A 577 ? 0.5097 0.3759 0.5417 -0.0025 0.1494 -0.0011 659 PHE A CD2 3689 C CE1 . PHE A 577 ? 0.6439 0.5004 0.6727 -0.0096 0.1582 -0.0078 659 PHE A CE1 3690 C CE2 . PHE A 577 ? 0.5973 0.4559 0.6241 -0.0034 0.1549 -0.0010 659 PHE A CE2 3691 C CZ . PHE A 577 ? 0.6209 0.4746 0.6459 -0.0069 0.1592 -0.0043 659 PHE A CZ 3692 N N . LEU A 578 ? 0.4581 0.3389 0.4977 0.0077 0.1379 0.0085 660 LEU A N 3693 C CA . LEU A 578 ? 0.4332 0.3138 0.4717 0.0124 0.1387 0.0144 660 LEU A CA 3694 C C . LEU A 578 ? 0.4467 0.3277 0.4860 0.0113 0.1386 0.0135 660 LEU A C 3695 O O . LEU A 578 ? 0.5357 0.4209 0.5780 0.0093 0.1349 0.0105 660 LEU A O 3696 C CB . LEU A 578 ? 0.4377 0.3258 0.4793 0.0175 0.1319 0.0171 660 LEU A CB 3697 C CG . LEU A 578 ? 0.4052 0.2948 0.4484 0.0222 0.1327 0.0232 660 LEU A CG 3698 C CD1 . LEU A 578 ? 0.4051 0.2878 0.4446 0.0243 0.1406 0.0280 660 LEU A CD1 3699 C CD2 . LEU A 578 ? 0.4167 0.3150 0.4639 0.0267 0.1236 0.0240 660 LEU A CD2 3700 N N . THR A 579 ? 0.3666 0.2427 0.4027 0.0128 0.1427 0.0158 661 THR A N 3701 C CA . THR A 579 ? 0.3447 0.2193 0.3801 0.0116 0.1439 0.0148 661 THR A CA 3702 C C . THR A 579 ? 0.4573 0.3329 0.4949 0.0161 0.1452 0.0203 661 THR A C 3703 O O . THR A 579 ? 0.4604 0.3338 0.4977 0.0194 0.1484 0.0243 661 THR A O 3704 C CB . THR A 579 ? 0.2985 0.1651 0.3285 0.0078 0.1491 0.0111 661 THR A CB 3705 O OG1 . THR A 579 ? 0.4038 0.2674 0.4318 0.0075 0.1514 0.0111 661 THR A OG1 3706 C CG2 . THR A 579 ? 0.2836 0.1448 0.3106 0.0094 0.1538 0.0134 661 THR A CG2 3707 N N . GLY A 580 ? 0.4222 0.3009 0.4623 0.0162 0.1431 0.0205 662 GLY A N 3708 C CA . GLY A 580 ? 0.3946 0.2743 0.4380 0.0198 0.1449 0.0251 662 GLY A CA 3709 C C . GLY A 580 ? 0.5718 0.4440 0.6108 0.0183 0.1505 0.0239 662 GLY A C 3710 O O . GLY A 580 ? 0.5770 0.4469 0.6129 0.0154 0.1505 0.0204 662 GLY A O 3711 N N . TYR A 581 ? 0.6542 0.5219 0.6925 0.0205 0.1557 0.0269 663 TYR A N 3712 C CA . TYR A 581 ? 0.6014 0.4609 0.6353 0.0192 0.1619 0.0258 663 TYR A CA 3713 C C . TYR A 581 ? 0.6580 0.5177 0.6964 0.0221 0.1649 0.0297 663 TYR A C 3714 O O . TYR A 581 ? 0.5851 0.4501 0.6308 0.0264 0.1645 0.0348 663 TYR A O 3715 C CB . TYR A 581 ? 0.5685 0.4220 0.5991 0.0195 0.1668 0.0264 663 TYR A CB 3716 C CG . TYR A 581 ? 0.6041 0.4482 0.6286 0.0166 0.1728 0.0236 663 TYR A CG 3717 C CD1 . TYR A 581 ? 0.6822 0.5219 0.7006 0.0114 0.1730 0.0179 663 TYR A CD1 3718 C CD2 . TYR A 581 ? 0.5614 0.4008 0.5868 0.0189 0.1790 0.0268 663 TYR A CD2 3719 C CE1 . TYR A 581 ? 0.7398 0.5702 0.7522 0.0085 0.1792 0.0154 663 TYR A CE1 3720 C CE2 . TYR A 581 ? 0.5806 0.4106 0.6000 0.0162 0.1850 0.0242 663 TYR A CE2 3721 C CZ . TYR A 581 ? 0.6544 0.4797 0.6669 0.0109 0.1850 0.0185 663 TYR A CZ 3722 O OH . TYR A 581 ? 0.6965 0.5118 0.7026 0.0080 0.1916 0.0160 663 TYR A OH 3723 N N . SER A 582 ? 0.7220 0.5758 0.7562 0.0198 0.1683 0.0273 664 SER A N 3724 C CA . SER A 582 ? 0.6753 0.5280 0.7134 0.0221 0.1721 0.0306 664 SER A CA 3725 C C . SER A 582 ? 0.7334 0.5782 0.7703 0.0233 0.1802 0.0324 664 SER A C 3726 O O . SER A 582 ? 0.6797 0.5163 0.7088 0.0202 0.1838 0.0290 664 SER A O 3727 C CB . SER A 582 ? 0.6388 0.4888 0.6725 0.0191 0.1718 0.0271 664 SER A CB 3728 O OG . SER A 582 ? 0.6677 0.5146 0.7042 0.0209 0.1768 0.0298 664 SER A OG 3729 N N . LEU A 583 ? 0.9568 0.7618 0.8785 0.0955 0.1481 -0.0106 665 LEU A N 3730 C CA . LEU A 583 ? 1.0021 0.7991 0.9187 0.0994 0.1523 -0.0097 665 LEU A CA 3731 C C . LEU A 583 ? 1.0153 0.8101 0.9285 0.1019 0.1557 -0.0107 665 LEU A C 3732 O O . LEU A 583 ? 1.0897 0.8756 0.9964 0.1041 0.1591 -0.0118 665 LEU A O 3733 C CB . LEU A 583 ? 0.9098 0.7103 0.8310 0.1041 0.1523 -0.0060 665 LEU A CB 3734 C CG . LEU A 583 ? 0.7565 0.5537 0.6765 0.1039 0.1513 -0.0047 665 LEU A CG 3735 C CD1 . LEU A 583 ? 0.6519 0.4494 0.5714 0.0984 0.1486 -0.0064 665 LEU A CD1 3736 C CD2 . LEU A 583 ? 0.7850 0.5893 0.7113 0.1085 0.1491 -0.0016 665 LEU A CD2 3737 N N . ASP A 584 ? 0.8699 0.6724 0.7872 0.1020 0.1551 -0.0101 666 ASP A N 3738 C CA . ASP A 584 ? 0.8161 0.6170 0.7297 0.1050 0.1591 -0.0104 666 ASP A CA 3739 C C . ASP A 584 ? 0.8043 0.5975 0.7086 0.1021 0.1594 -0.0149 666 ASP A C 3740 O O . ASP A 584 ? 0.9679 0.7554 0.8651 0.1051 0.1630 -0.0163 666 ASP A O 3741 C CB . ASP A 584 ? 0.8340 0.6458 0.7559 0.1068 0.1593 -0.0073 666 ASP A CB 3742 C CG . ASP A 584 ? 0.8728 0.6923 0.8049 0.1105 0.1588 -0.0033 666 ASP A CG 3743 O OD1 . ASP A 584 ? 0.9774 0.7929 0.9083 0.1137 0.1602 -0.0024 666 ASP A OD1 3744 O OD2 . ASP A 584 ? 0.7217 0.5510 0.6634 0.1105 0.1566 -0.0012 666 ASP A OD2 3745 N N . LEU A 585 ? 0.6435 0.4365 0.5478 0.0965 0.1554 -0.0176 667 LEU A N 3746 C CA . LEU A 585 ? 0.6747 0.4607 0.5711 0.0935 0.1547 -0.0225 667 LEU A CA 3747 C C . LEU A 585 ? 0.8096 0.5865 0.7024 0.0904 0.1534 -0.0257 667 LEU A C 3748 O O . LEU A 585 ? 0.8545 0.6234 0.7406 0.0886 0.1527 -0.0305 667 LEU A O 3749 C CB . LEU A 585 ? 0.6449 0.4376 0.5447 0.0896 0.1513 -0.0234 667 LEU A CB 3750 C CG . LEU A 585 ? 0.6079 0.4047 0.5066 0.0920 0.1534 -0.0222 667 LEU A CG 3751 C CD1 . LEU A 585 ? 0.5351 0.3399 0.4413 0.0967 0.1564 -0.0167 667 LEU A CD1 3752 C CD2 . LEU A 585 ? 0.6316 0.4331 0.5329 0.0876 0.1497 -0.0238 667 LEU A CD2 3753 N N . LEU A 586 ? 0.8258 0.6034 0.7229 0.0903 0.1531 -0.0231 668 LEU A N 3754 C CA . LEU A 586 ? 0.8101 0.5793 0.7051 0.0875 0.1528 -0.0249 668 LEU A CA 3755 C C . LEU A 586 ? 0.7619 0.5300 0.6574 0.0816 0.1494 -0.0287 668 LEU A C 3756 O O . LEU A 586 ? 0.7657 0.5243 0.6567 0.0797 0.1494 -0.0328 668 LEU A O 3757 C CB . LEU A 586 ? 0.8198 0.5772 0.7074 0.0905 0.1560 -0.0272 668 LEU A CB 3758 C CG . LEU A 586 ? 0.7877 0.5451 0.6755 0.0963 0.1596 -0.0234 668 LEU A CG 3759 C CD1 . LEU A 586 ? 0.8464 0.5913 0.7273 0.0990 0.1624 -0.0260 668 LEU A CD1 3760 C CD2 . LEU A 586 ? 0.6543 0.4171 0.5484 0.0966 0.1591 -0.0187 668 LEU A CD2 3761 N N . MSE A 587 ? 0.6803 0.4581 0.5819 0.0789 0.1463 -0.0276 669 MSE A N 3762 C CA . MSE A 587 ? 0.7120 0.4903 0.6157 0.0734 0.1429 -0.0307 669 MSE A CA 3763 C C . MSE A 587 ? 0.5950 0.3849 0.5067 0.0718 0.1398 -0.0283 669 MSE A C 3764 O O . MSE A 587 ? 0.4952 0.2929 0.4104 0.0748 0.1396 -0.0251 669 MSE A O 3765 C CB . MSE A 587 ? 0.8426 0.6176 0.7413 0.0721 0.1413 -0.0355 669 MSE A CB 3766 C CG . MSE A 587 ? 0.8692 0.6516 0.7680 0.0742 0.1411 -0.0343 669 MSE A CG 3767 SE SE . MSE A 587 ? 1.8569 1.6337 1.7475 0.0725 0.1390 -0.0406 669 MSE A SE 3768 C CE . MSE A 587 ? 1.0924 0.8534 0.9725 0.0753 0.1415 -0.0450 669 MSE A CE 3769 N N . PRO A 588 ? 0.5662 0.3571 0.4813 0.0672 0.1373 -0.0299 670 PRO A N 3770 C CA . PRO A 588 ? 0.5582 0.3596 0.4806 0.0661 0.1341 -0.0281 670 PRO A CA 3771 C C . PRO A 588 ? 0.4659 0.2752 0.3911 0.0658 0.1310 -0.0291 670 PRO A C 3772 O O . PRO A 588 ? 0.4514 0.2578 0.3735 0.0636 0.1300 -0.0326 670 PRO A O 3773 C CB . PRO A 588 ? 0.6048 0.4037 0.5293 0.0614 0.1330 -0.0302 670 PRO A CB 3774 C CG . PRO A 588 ? 0.3829 0.1717 0.3024 0.0591 0.1339 -0.0344 670 PRO A CG 3775 C CD . PRO A 588 ? 0.5477 0.3299 0.4610 0.0633 0.1375 -0.0335 670 PRO A CD 3776 N N . LEU A 589 ? 0.4635 0.2822 0.3945 0.0681 0.1293 -0.0262 671 LEU A N 3777 C CA . LEU A 589 ? 0.5113 0.3377 0.4465 0.0679 0.1267 -0.0266 671 LEU A CA 3778 C C . LEU A 589 ? 0.5346 0.3659 0.4748 0.0637 0.1221 -0.0290 671 LEU A C 3779 O O . LEU A 589 ? 0.5948 0.4276 0.5354 0.0614 0.1202 -0.0314 671 LEU A O 3780 C CB . LEU A 589 ? 0.4442 0.2785 0.3852 0.0724 0.1267 -0.0227 671 LEU A CB 3781 C CG . LEU A 589 ? 0.5221 0.3533 0.4598 0.0771 0.1314 -0.0200 671 LEU A CG 3782 C CD1 . LEU A 589 ? 0.5401 0.3800 0.4860 0.0813 0.1308 -0.0164 671 LEU A CD1 3783 C CD2 . LEU A 589 ? 0.6217 0.4477 0.5527 0.0771 0.1344 -0.0216 671 LEU A CD2 3784 N N . TRP A 590 ? 0.3839 0.2171 0.3273 0.0629 0.1206 -0.0284 672 TRP A N 3785 C CA . TRP A 590 ? 0.4225 0.2603 0.3708 0.0594 0.1165 -0.0307 672 TRP A CA 3786 C C . TRP A 590 ? 0.5458 0.3803 0.4937 0.0583 0.1177 -0.0302 672 TRP A C 3787 O O . TRP A 590 ? 0.4296 0.2607 0.3748 0.0612 0.1208 -0.0274 672 TRP A O 3788 C CB . TRP A 590 ? 0.4242 0.2728 0.3802 0.0611 0.1122 -0.0299 672 TRP A CB 3789 C CG . TRP A 590 ? 0.4747 0.3273 0.4333 0.0659 0.1121 -0.0266 672 TRP A CG 3790 C CD1 . TRP A 590 ? 0.4685 0.3235 0.4286 0.0700 0.1133 -0.0240 672 TRP A CD1 3791 C CD2 . TRP A 590 ? 0.4498 0.3041 0.4096 0.0675 0.1107 -0.0257 672 TRP A CD2 3792 N NE1 . TRP A 590 ? 0.4034 0.2616 0.3662 0.0740 0.1121 -0.0219 672 TRP A NE1 3793 C CE2 . TRP A 590 ? 0.4521 0.3097 0.4140 0.0727 0.1105 -0.0229 672 TRP A CE2 3794 C CE3 . TRP A 590 ? 0.3766 0.2297 0.3359 0.0655 0.1101 -0.0268 672 TRP A CE3 3795 C CZ2 . TRP A 590 ? 0.4944 0.3536 0.4567 0.0760 0.1090 -0.0217 672 TRP A CZ2 3796 C CZ3 . TRP A 590 ? 0.3747 0.2294 0.3340 0.0689 0.1095 -0.0251 672 TRP A CZ3 3797 C CH2 . TRP A 590 ? 0.4611 0.3187 0.4215 0.0742 0.1087 -0.0227 672 TRP A CH2 3798 N N . ALA A 591 ? 0.6401 0.4753 0.5908 0.0543 0.1157 -0.0329 673 ALA A N 3799 C CA . ALA A 591 ? 0.6283 0.4608 0.5795 0.0533 0.1177 -0.0321 673 ALA A CA 3800 C C . ALA A 591 ? 0.5598 0.3997 0.5172 0.0515 0.1135 -0.0340 673 ALA A C 3801 O O . ALA A 591 ? 0.6369 0.4780 0.5971 0.0478 0.1109 -0.0374 673 ALA A O 3802 C CB . ALA A 591 ? 0.3324 0.1541 0.2800 0.0500 0.1219 -0.0337 673 ALA A CB 3803 N N . SER A 592 ? 0.4142 0.2587 0.3733 0.0546 0.1127 -0.0320 674 SER A N 3804 C CA . SER A 592 ? 0.3546 0.2065 0.3192 0.0539 0.1085 -0.0339 674 SER A CA 3805 C C . SER A 592 ? 0.4563 0.3045 0.4203 0.0532 0.1124 -0.0331 674 SER A C 3806 O O . SER A 592 ? 0.4702 0.3131 0.4295 0.0559 0.1171 -0.0296 674 SER A O 3807 C CB . SER A 592 ? 0.3926 0.2537 0.3604 0.0587 0.1035 -0.0333 674 SER A CB 3808 O OG . SER A 592 ? 0.4110 0.2792 0.3840 0.0585 0.0987 -0.0358 674 SER A OG 3809 N N . TYR A 593 ? 0.4367 0.2871 0.4054 0.0497 0.1109 -0.0359 675 TYR A N 3810 C CA . TYR A 593 ? 0.3994 0.2467 0.3688 0.0489 0.1155 -0.0351 675 TYR A CA 3811 C C . TYR A 593 ? 0.4241 0.2787 0.4002 0.0472 0.1113 -0.0385 675 TYR A C 3812 O O . TYR A 593 ? 0.4696 0.3292 0.4498 0.0450 0.1055 -0.0418 675 TYR A O 3813 C CB . TYR A 593 ? 0.4129 0.2491 0.3811 0.0448 0.1225 -0.0346 675 TYR A CB 3814 C CG . TYR A 593 ? 0.5956 0.4302 0.5678 0.0392 0.1202 -0.0390 675 TYR A CG 3815 C CD1 . TYR A 593 ? 0.6891 0.5214 0.6582 0.0385 0.1179 -0.0404 675 TYR A CD1 3816 C CD2 . TYR A 593 ? 0.6240 0.4591 0.6031 0.0350 0.1204 -0.0419 675 TYR A CD2 3817 C CE1 . TYR A 593 ? 0.6226 0.4528 0.5939 0.0341 0.1152 -0.0447 675 TYR A CE1 3818 C CE2 . TYR A 593 ? 0.5571 0.3904 0.5398 0.0302 0.1174 -0.0462 675 TYR A CE2 3819 C CZ . TYR A 593 ? 0.5497 0.3802 0.5277 0.0299 0.1145 -0.0477 675 TYR A CZ 3820 O OH . TYR A 593 ? 0.4611 0.2892 0.4412 0.0258 0.1108 -0.0522 675 TYR A OH 3821 N N . THR A 594 ? 0.4830 0.3376 0.4599 0.0484 0.1146 -0.0374 676 THR A N 3822 C CA . THR A 594 ? 0.4695 0.3309 0.4528 0.0473 0.1112 -0.0407 676 THR A CA 3823 C C . THR A 594 ? 0.5137 0.3691 0.5017 0.0424 0.1177 -0.0413 676 THR A C 3824 O O . THR A 594 ? 0.5906 0.4387 0.5764 0.0428 0.1261 -0.0378 676 THR A O 3825 C CB . THR A 594 ? 0.3806 0.2485 0.3621 0.0535 0.1092 -0.0400 676 THR A CB 3826 O OG1 . THR A 594 ? 0.2834 0.1573 0.2632 0.0578 0.1024 -0.0403 676 THR A OG1 3827 C CG2 . THR A 594 ? 0.2828 0.1576 0.2709 0.0527 0.1059 -0.0436 676 THR A CG2 3828 N N . PHE A 595 ? 0.5172 0.3753 0.5124 0.0376 0.1141 -0.0455 677 PHE A N 3829 C CA . PHE A 595 ? 0.6042 0.4574 0.6066 0.0323 0.1194 -0.0470 677 PHE A CA 3830 C C . PHE A 595 ? 0.5973 0.4581 0.6072 0.0322 0.1174 -0.0495 677 PHE A C 3831 O O . PHE A 595 ? 0.5406 0.4083 0.5541 0.0312 0.1095 -0.0532 677 PHE A O 3832 C CB . PHE A 595 ? 0.6513 0.5006 0.6566 0.0266 0.1165 -0.0505 677 PHE A CB 3833 C CG . PHE A 595 ? 0.6553 0.4990 0.6695 0.0207 0.1211 -0.0527 677 PHE A CG 3834 C CD1 . PHE A 595 ? 0.7291 0.5631 0.7439 0.0194 0.1301 -0.0503 677 PHE A CD1 3835 C CD2 . PHE A 595 ? 0.6819 0.5300 0.7052 0.0166 0.1162 -0.0574 677 PHE A CD2 3836 C CE1 . PHE A 595 ? 0.7404 0.5696 0.7659 0.0138 0.1340 -0.0526 677 PHE A CE1 3837 C CE2 . PHE A 595 ? 0.7588 0.6024 0.7923 0.0110 0.1196 -0.0598 677 PHE A CE2 3838 C CZ . PHE A 595 ? 0.7651 0.5994 0.8005 0.0096 0.1285 -0.0575 677 PHE A CZ 3839 N N . LEU A 596 ? 0.6917 0.5506 0.7037 0.0335 0.1250 -0.0472 678 LEU A N 3840 C CA . LEU A 596 ? 0.7707 0.6372 0.7891 0.0347 0.1237 -0.0494 678 LEU A CA 3841 C C . LEU A 596 ? 0.9951 0.8613 1.0268 0.0278 0.1248 -0.0534 678 LEU A C 3842 O O . LEU A 596 ? 1.0908 0.9508 1.1267 0.0220 0.1260 -0.0548 678 LEU A O 3843 C CB . LEU A 596 ? 0.6017 0.4675 0.6161 0.0403 0.1312 -0.0452 678 LEU A CB 3844 C CG . LEU A 596 ? 0.5662 0.4354 0.5687 0.0484 0.1280 -0.0425 678 LEU A CG 3845 C CD1 . LEU A 596 ? 0.6804 0.5409 0.6745 0.0493 0.1322 -0.0380 678 LEU A CD1 3846 C CD2 . LEU A 596 ? 0.6398 0.5124 0.6398 0.0543 0.1321 -0.0407 678 LEU A CD2 3847 N N . SER A 597 ? 1.0784 0.9518 1.1168 0.0288 0.1239 -0.0555 679 SER A N 3848 C CA . SER A 597 ? 1.1690 1.0443 1.2220 0.0227 0.1237 -0.0598 679 SER A CA 3849 C C . SER A 597 ? 1.2380 1.1047 1.3008 0.0176 0.1347 -0.0585 679 SER A C 3850 O O . SER A 597 ? 1.2402 1.1042 1.3132 0.0108 0.1333 -0.0621 679 SER A O 3851 C CB . SER A 597 ? 1.2433 1.1281 1.3010 0.0260 0.1217 -0.0617 679 SER A CB 3852 O OG . SER A 597 ? 1.3602 1.2444 1.4147 0.0313 0.1305 -0.0576 679 SER A OG 3853 N N . ASN A 598 ? 1.2684 1.1306 1.3279 0.0213 0.1452 -0.0531 680 ASN A N 3854 C CA . ASN A 598 ? 1.3098 1.1628 1.3792 0.0173 0.1573 -0.0507 680 ASN A CA 3855 C C . ASN A 598 ? 1.3340 1.1782 1.3927 0.0216 0.1667 -0.0435 680 ASN A C 3856 O O . ASN A 598 ? 1.3372 1.1823 1.3914 0.0274 0.1733 -0.0387 680 ASN A O 3857 C CB . ASN A 598 ? 1.3165 1.1737 1.4019 0.0159 0.1638 -0.0515 680 ASN A CB 3858 N N . ASP A 599 ? 1.3450 1.1808 1.3987 0.0193 0.1666 -0.0427 681 ASP A N 3859 C CA . ASP A 599 ? 1.2865 1.1127 1.3306 0.0229 0.1751 -0.0361 681 ASP A CA 3860 C C . ASP A 599 ? 1.2946 1.1112 1.3404 0.0179 0.1759 -0.0371 681 ASP A C 3861 O O . ASP A 599 ? 1.2832 1.1013 1.3348 0.0126 0.1682 -0.0429 681 ASP A O 3862 C CB . ASP A 599 ? 1.2085 1.0386 1.2349 0.0306 0.1694 -0.0333 681 ASP A CB 3863 C CG . ASP A 599 ? 1.1737 1.0091 1.1945 0.0299 0.1565 -0.0378 681 ASP A CG 3864 O OD1 . ASP A 599 ? 1.2349 1.0750 1.2640 0.0250 0.1500 -0.0434 681 ASP A OD1 3865 O OD2 . ASP A 599 ? 1.0807 0.9155 1.0895 0.0343 0.1533 -0.0354 681 ASP A OD2 3866 N N . SER A 607 ? 0.9255 0.6035 0.9237 0.0075 0.1332 -0.0664 689 SER A N 3867 C CA . SER A 607 ? 1.0122 0.6825 1.0045 0.0077 0.1208 -0.0744 689 SER A CA 3868 C C . SER A 607 ? 1.1521 0.8082 1.1389 0.0108 0.1202 -0.0757 689 SER A C 3869 O O . SER A 607 ? 1.2315 0.8774 1.2283 0.0078 0.1210 -0.0749 689 SER A O 3870 C CB . SER A 607 ? 0.9571 0.6237 0.9624 0.0012 0.1129 -0.0787 689 SER A CB 3871 O OG . SER A 607 ? 0.7821 0.4619 0.7946 -0.0019 0.1146 -0.0770 689 SER A OG 3872 N N . ASN A 608 ? 1.1336 0.7896 1.1056 0.0168 0.1190 -0.0773 690 ASN A N 3873 C CA . ASN A 608 ? 1.0903 0.7340 1.0552 0.0210 0.1183 -0.0791 690 ASN A CA 3874 C C . ASN A 608 ? 1.0139 0.6571 0.9801 0.0230 0.1302 -0.0709 690 ASN A C 3875 O O . ASN A 608 ? 1.0604 0.6945 1.0212 0.0268 0.1318 -0.0706 690 ASN A O 3876 C CB . ASN A 608 ? 1.3749 1.0025 1.3460 0.0181 0.1081 -0.0859 690 ASN A CB 3877 C CG . ASN A 608 ? 1.3399 0.9531 1.3117 0.0200 0.1101 -0.0851 690 ASN A CG 3878 O OD1 . ASN A 608 ? 1.3961 0.9994 1.3802 0.0156 0.1089 -0.0844 690 ASN A OD1 3879 N ND2 . ASN A 608 ? 1.2334 0.8459 1.1932 0.0264 0.1133 -0.0846 690 ASN A ND2 3880 N N . CYS A 609 ? 1.0168 0.6708 0.9881 0.0214 0.1387 -0.0643 691 CYS A N 3881 C CA . CYS A 609 ? 1.0235 0.6777 0.9947 0.0239 0.1502 -0.0561 691 CYS A CA 3882 C C . CYS A 609 ? 0.9082 0.5752 0.8686 0.0286 0.1543 -0.0521 691 CYS A C 3883 O O . CYS A 609 ? 0.8531 0.5313 0.8130 0.0274 0.1517 -0.0532 691 CYS A O 3884 C CB . CYS A 609 ? 1.0528 0.7080 1.0386 0.0192 0.1576 -0.0509 691 CYS A CB 3885 S SG . CYS A 609 ? 1.1379 0.7963 1.1214 0.0233 0.1725 -0.0401 691 CYS A SG 3886 N N . LEU A 610 ? 0.8723 0.5379 0.8250 0.0337 0.1604 -0.0473 692 LEU A N 3887 C CA . LEU A 610 ? 0.7685 0.4457 0.7122 0.0382 0.1635 -0.0429 692 LEU A CA 3888 C C . LEU A 610 ? 0.8548 0.5293 0.7947 0.0426 0.1722 -0.0355 692 LEU A C 3889 O O . LEU A 610 ? 0.9561 0.6187 0.8971 0.0434 0.1749 -0.0347 692 LEU A O 3890 C CB . LEU A 610 ? 0.7991 0.4791 0.7326 0.0418 0.1568 -0.0474 692 LEU A CB 3891 C CG . LEU A 610 ? 0.9812 0.6683 0.9148 0.0393 0.1488 -0.0532 692 LEU A CG 3892 C CD1 . LEU A 610 ? 0.4995 0.1849 0.4233 0.0431 0.1430 -0.0582 692 LEU A CD1 3893 C CD2 . LEU A 610 ? 1.0541 0.7558 0.9893 0.0385 0.1504 -0.0493 692 LEU A CD2 3894 N N . TYR A 611 ? 0.9123 0.5974 0.8476 0.0456 0.1757 -0.0303 693 TYR A N 3895 C CA . TYR A 611 ? 0.8792 0.5626 0.8094 0.0505 0.1829 -0.0230 693 TYR A CA 3896 C C . TYR A 611 ? 0.7125 0.4027 0.6329 0.0559 0.1800 -0.0220 693 TYR A C 3897 O O . TYR A 611 ? 0.6746 0.3760 0.5936 0.0559 0.1751 -0.0236 693 TYR A O 3898 C CB . TYR A 611 ? 0.8483 0.5369 0.7820 0.0501 0.1897 -0.0168 693 TYR A CB 3899 C CG . TYR A 611 ? 0.9128 0.5937 0.8572 0.0456 0.1954 -0.0158 693 TYR A CG 3900 C CD1 . TYR A 611 ? 1.0264 0.6963 0.9722 0.0473 0.2032 -0.0109 693 TYR A CD1 3901 C CD2 . TYR A 611 ? 0.9499 0.6345 0.9042 0.0399 0.1927 -0.0196 693 TYR A CD2 3902 C CE1 . TYR A 611 ? 1.1179 0.7810 1.0756 0.0432 0.2087 -0.0093 693 TYR A CE1 3903 C CE2 . TYR A 611 ? 1.0358 0.7139 1.0022 0.0356 0.1979 -0.0184 693 TYR A CE2 3904 C CZ . TYR A 611 ? 1.1454 0.8130 1.1140 0.0372 0.2060 -0.0131 693 TYR A CZ 3905 O OH . TYR A 611 ? 1.2427 0.9044 1.2255 0.0329 0.2114 -0.0112 693 TYR A OH 3906 N N . GLN A 612 ? 0.5723 0.2557 0.4873 0.0606 0.1831 -0.0193 694 GLN A N 3907 C CA . GLN A 612 ? 0.5792 0.2678 0.4865 0.0659 0.1808 -0.0182 694 GLN A CA 3908 C C . GLN A 612 ? 0.5748 0.2737 0.4796 0.0691 0.1825 -0.0121 694 GLN A C 3909 O O . GLN A 612 ? 0.6797 0.3755 0.5840 0.0709 0.1885 -0.0064 694 GLN A O 3910 C CB . GLN A 612 ? 0.6892 0.3665 0.5922 0.0700 0.1834 -0.0174 694 GLN A CB 3911 C CG . GLN A 612 ? 0.7531 0.4354 0.6494 0.0758 0.1816 -0.0163 694 GLN A CG 3912 C CD . GLN A 612 ? 0.8303 0.5014 0.7227 0.0802 0.1843 -0.0154 694 GLN A CD 3913 O OE1 . GLN A 612 ? 0.8663 0.5263 0.7608 0.0795 0.1886 -0.0139 694 GLN A OE1 3914 N NE2 . GLN A 612 ? 0.8053 0.4792 0.6930 0.0848 0.1821 -0.0163 694 GLN A NE2 3915 N N . ASP A 613 ? 0.6375 0.3480 0.5411 0.0702 0.1770 -0.0133 695 ASP A N 3916 C CA . ASP A 613 ? 0.7258 0.4461 0.6278 0.0737 0.1766 -0.0085 695 ASP A CA 3917 C C . ASP A 613 ? 0.6743 0.3923 0.5709 0.0799 0.1779 -0.0052 695 ASP A C 3918 O O . ASP A 613 ? 0.6908 0.4112 0.5858 0.0820 0.1747 -0.0075 695 ASP A O 3919 C CB . ASP A 613 ? 0.7632 0.4968 0.6679 0.0722 0.1697 -0.0112 695 ASP A CB 3920 C CG . ASP A 613 ? 0.7224 0.4661 0.6280 0.0745 0.1682 -0.0073 695 ASP A CG 3921 O OD1 . ASP A 613 ? 0.6018 0.3438 0.5038 0.0793 0.1709 -0.0025 695 ASP A OD1 3922 O OD2 . ASP A 613 ? 0.7522 0.5052 0.6620 0.0718 0.1639 -0.0092 695 ASP A OD2 3923 N N . LEU A 614 ? 0.6420 0.3550 0.5358 0.0832 0.1832 0.0004 696 LEU A N 3924 C CA . LEU A 614 ? 0.7231 0.4322 0.6118 0.0894 0.1850 0.0037 696 LEU A CA 3925 C C . LEU A 614 ? 0.7066 0.4272 0.5947 0.0936 0.1801 0.0049 696 LEU A C 3926 O O . LEU A 614 ? 0.7564 0.4756 0.6416 0.0989 0.1805 0.0070 696 LEU A O 3927 C CB . LEU A 614 ? 0.8448 0.5449 0.7300 0.0920 0.1922 0.0097 696 LEU A CB 3928 C CG . LEU A 614 ? 0.9190 0.6044 0.8044 0.0906 0.1985 0.0100 696 LEU A CG 3929 C CD1 . LEU A 614 ? 0.8682 0.5508 0.7600 0.0836 0.1981 0.0050 696 LEU A CD1 3930 C CD2 . LEU A 614 ? 1.0300 0.7089 0.9119 0.0936 0.2061 0.0171 696 LEU A CD2 3931 N N . ARG A 615 ? 0.6600 0.3920 0.5520 0.0913 0.1752 0.0034 697 ARG A N 3932 C CA . ARG A 615 ? 0.6962 0.4398 0.5899 0.0948 0.1700 0.0041 697 ARG A CA 3933 C C . ARG A 615 ? 0.6837 0.4322 0.5799 0.0946 0.1663 0.0002 697 ARG A C 3934 O O . ARG A 615 ? 0.6538 0.4096 0.5518 0.0984 0.1634 0.0010 697 ARG A O 3935 C CB . ARG A 615 ? 0.6356 0.3891 0.5329 0.0930 0.1662 0.0042 697 ARG A CB 3936 C CG . ARG A 615 ? 0.6272 0.3770 0.5208 0.0949 0.1699 0.0086 697 ARG A CG 3937 C CD . ARG A 615 ? 0.6463 0.4049 0.5435 0.0927 0.1663 0.0077 697 ARG A CD 3938 N NE . ARG A 615 ? 0.6942 0.4535 0.5961 0.0858 0.1659 0.0037 697 ARG A NE 3939 C CZ . ARG A 615 ? 0.6676 0.4329 0.5732 0.0828 0.1637 0.0023 697 ARG A CZ 3940 N NH1 . ARG A 615 ? 0.6153 0.3865 0.5200 0.0863 0.1615 0.0045 697 ARG A NH1 3941 N NH2 . ARG A 615 ? 0.5474 0.3127 0.4577 0.0768 0.1633 -0.0016 697 ARG A NH2 3942 N N . ILE A 616 ? 0.5782 0.3219 0.4743 0.0905 0.1667 -0.0040 698 ILE A N 3943 C CA . ILE A 616 ? 0.6296 0.3764 0.5263 0.0907 0.1641 -0.0077 698 ILE A CA 3944 C C . ILE A 616 ? 0.7405 0.4763 0.6326 0.0926 0.1673 -0.0094 698 ILE A C 3945 O O . ILE A 616 ? 0.7816 0.5065 0.6714 0.0914 0.1707 -0.0097 698 ILE A O 3946 C CB . ILE A 616 ? 0.7866 0.5379 0.6862 0.0852 0.1607 -0.0121 698 ILE A CB 3947 C CG1 . ILE A 616 ? 0.7850 0.5260 0.6833 0.0807 0.1628 -0.0151 698 ILE A CG1 3948 C CG2 . ILE A 616 ? 0.6852 0.4478 0.5898 0.0835 0.1570 -0.0109 698 ILE A CG2 3949 C CD1 . ILE A 616 ? 0.4469 0.1908 0.3475 0.0758 0.1590 -0.0201 698 ILE A CD1 3950 N N . PRO A 617 ? 0.7058 0.4441 0.5971 0.0960 0.1664 -0.0107 699 PRO A N 3951 C CA . PRO A 617 ? 0.6823 0.4107 0.5689 0.0985 0.1688 -0.0131 699 PRO A CA 3952 C C . PRO A 617 ? 0.7896 0.5103 0.6739 0.0944 0.1681 -0.0188 699 PRO A C 3953 O O . PRO A 617 ? 0.8014 0.5274 0.6875 0.0905 0.1650 -0.0215 699 PRO A O 3954 C CB . PRO A 617 ? 0.6185 0.3541 0.5057 0.1026 0.1678 -0.0132 699 PRO A CB 3955 C CG . PRO A 617 ? 0.5962 0.3445 0.4886 0.1004 0.1642 -0.0124 699 PRO A CG 3956 C CD . PRO A 617 ? 0.6512 0.4018 0.5463 0.0981 0.1634 -0.0096 699 PRO A CD 3957 N N . LEU A 618 ? 0.8405 0.5486 0.7213 0.0954 0.1705 -0.0208 700 LEU A N 3958 C CA . LEU A 618 ? 0.8111 0.5103 0.6903 0.0918 0.1690 -0.0269 700 LEU A CA 3959 C C . LEU A 618 ? 0.7880 0.4875 0.6630 0.0934 0.1665 -0.0321 700 LEU A C 3960 O O . LEU A 618 ? 0.8508 0.5507 0.7226 0.0985 0.1678 -0.0318 700 LEU A O 3961 C CB . LEU A 618 ? 0.8321 0.5167 0.7096 0.0928 0.1719 -0.0276 700 LEU A CB 3962 C CG . LEU A 618 ? 0.7638 0.4379 0.6412 0.0892 0.1695 -0.0343 700 LEU A CG 3963 C CD1 . LEU A 618 ? 0.6399 0.3152 0.5230 0.0827 0.1687 -0.0342 700 LEU A CD1 3964 C CD2 . LEU A 618 ? 0.8464 0.5055 0.7218 0.0918 0.1712 -0.0362 700 LEU A CD2 3965 N N . SER A 619 ? 0.8081 0.5072 0.6832 0.0891 0.1629 -0.0370 701 SER A N 3966 C CA . SER A 619 ? 0.8787 0.5765 0.7484 0.0907 0.1605 -0.0425 701 SER A CA 3967 C C . SER A 619 ? 0.9331 0.6182 0.8009 0.0883 0.1577 -0.0494 701 SER A C 3968 O O . SER A 619 ? 0.9897 0.6715 0.8624 0.0834 0.1565 -0.0499 701 SER A O 3969 C CB . SER A 619 ? 0.8514 0.5611 0.7226 0.0885 0.1579 -0.0423 701 SER A CB 3970 O OG . SER A 619 ? 0.8018 0.5096 0.6666 0.0905 0.1562 -0.0471 701 SER A OG 3971 N N . PRO A 620 ? 0.9308 0.6082 0.7916 0.0919 0.1565 -0.0549 702 PRO A N 3972 C CA . PRO A 620 ? 1.0047 0.6690 0.8635 0.0904 0.1524 -0.0627 702 PRO A CA 3973 C C . PRO A 620 ? 0.9478 0.6142 0.8096 0.0846 0.1473 -0.0665 702 PRO A C 3974 O O . PRO A 620 ? 0.9238 0.5800 0.7878 0.0817 0.1432 -0.0719 702 PRO A O 3975 C CB . PRO A 620 ? 1.0733 0.7330 0.9228 0.0964 0.1520 -0.0675 702 PRO A CB 3976 C CG . PRO A 620 ? 1.0514 0.7174 0.8995 0.1015 0.1575 -0.0614 702 PRO A CG 3977 C CD . PRO A 620 ? 0.9484 0.6282 0.8033 0.0984 0.1591 -0.0541 702 PRO A CD 3978 N N . VAL A 621 ? 0.9093 0.5885 0.7721 0.0830 0.1470 -0.0637 703 VAL A N 3979 C CA . VAL A 621 ? 0.9637 0.6463 0.8295 0.0777 0.1422 -0.0668 703 VAL A CA 3980 C C . VAL A 621 ? 1.0050 0.6917 0.8806 0.0720 0.1426 -0.0630 703 VAL A C 3981 O O . VAL A 621 ? 0.9542 0.6446 0.8338 0.0674 0.1389 -0.0650 703 VAL A O 3982 C CB . VAL A 621 ? 0.8899 0.5838 0.7522 0.0787 0.1417 -0.0658 703 VAL A CB 3983 C CG1 . VAL A 621 ? 0.8477 0.5365 0.6993 0.0843 0.1418 -0.0700 703 VAL A CG1 3984 C CG2 . VAL A 621 ? 0.8881 0.5945 0.7545 0.0797 0.1459 -0.0576 703 VAL A CG2 3985 N N . HIS A 622 ? 0.9109 0.5968 0.7900 0.0727 0.1474 -0.0575 704 HIS A N 3986 C CA . HIS A 622 ? 0.7845 0.4734 0.6718 0.0681 0.1491 -0.0535 704 HIS A CA 3987 C C . HIS A 622 ? 0.7955 0.4714 0.6874 0.0648 0.1482 -0.0568 704 HIS A C 3988 O O . HIS A 622 ? 0.7130 0.3898 0.6123 0.0600 0.1486 -0.0555 704 HIS A O 3989 C CB . HIS A 622 ? 0.6950 0.3892 0.5834 0.0707 0.1548 -0.0456 704 HIS A CB 3990 C CG . HIS A 622 ? 0.6471 0.3549 0.5344 0.0730 0.1549 -0.0418 704 HIS A CG 3991 N ND1 . HIS A 622 ? 0.6747 0.3882 0.5628 0.0762 0.1584 -0.0354 704 HIS A ND1 3992 C CD2 . HIS A 622 ? 0.6281 0.3444 0.5142 0.0728 0.1516 -0.0436 704 HIS A CD2 3993 C CE1 . HIS A 622 ? 0.6306 0.3556 0.5190 0.0776 0.1568 -0.0336 704 HIS A CE1 3994 N NE2 . HIS A 622 ? 0.6603 0.3872 0.5476 0.0755 0.1531 -0.0382 704 HIS A NE2 3995 N N . LYS A 623 ? 0.9227 0.5863 0.8105 0.0677 0.1470 -0.0610 705 LYS A N 3996 C CA . LYS A 623 ? 0.9284 0.5780 0.8214 0.0650 0.1452 -0.0645 705 LYS A CA 3997 C C . LYS A 623 ? 0.8911 0.5370 0.7873 0.0608 0.1374 -0.0720 705 LYS A C 3998 O O . LYS A 623 ? 0.9422 0.5906 0.8323 0.0623 0.1326 -0.0769 705 LYS A O 3999 C CB . LYS A 623 ? 0.8521 0.4894 0.7401 0.0700 0.1456 -0.0670 705 LYS A CB 4000 N N . CYS A 624 ? 0.7999 0.4395 0.7057 0.0555 0.1361 -0.0724 706 CYS A N 4001 C CA . CYS A 624 ? 0.8389 0.4744 0.7497 0.0511 0.1277 -0.0793 706 CYS A CA 4002 C C . CYS A 624 ? 0.9989 0.6205 0.9053 0.0538 0.1203 -0.0880 706 CYS A C 4003 O O . CYS A 624 ? 1.0469 0.6654 0.9536 0.0522 0.1118 -0.0952 706 CYS A O 4004 C CB . CYS A 624 ? 0.7910 0.4232 0.7149 0.0447 0.1287 -0.0769 706 CYS A CB 4005 S SG . CYS A 624 ? 1.1585 0.8063 1.0878 0.0420 0.1377 -0.0675 706 CYS A SG 4006 N N . SER A 625 ? 1.0705 0.6835 0.9731 0.0583 0.1230 -0.0876 707 SER A N 4007 C CA . SER A 625 ? 1.0830 0.6823 0.9813 0.0618 0.1162 -0.0961 707 SER A CA 4008 C C . SER A 625 ? 1.0257 0.6308 0.9124 0.0661 0.1135 -0.1011 707 SER A C 4009 O O . SER A 625 ? 1.1166 0.7125 0.9993 0.0685 0.1064 -0.1099 707 SER A O 4010 C CB . SER A 625 ? 1.1280 0.7180 1.0243 0.0661 0.1206 -0.0941 707 SER A CB 4011 O OG . SER A 625 ? 1.1274 0.7273 1.0158 0.0709 0.1286 -0.0881 707 SER A OG 4012 N N . TYR A 626 ? 0.8545 0.4745 0.7364 0.0673 0.1192 -0.0953 708 TYR A N 4013 C CA . TYR A 626 ? 0.7462 0.3729 0.6177 0.0710 0.1180 -0.0983 708 TYR A CA 4014 C C . TYR A 626 ? 0.8479 0.4759 0.7208 0.0674 0.1103 -0.1042 708 TYR A C 4015 O O . TYR A 626 ? 0.9239 0.5509 0.7881 0.0705 0.1068 -0.1100 708 TYR A O 4016 C CB . TYR A 626 ? 0.6739 0.3161 0.5421 0.0726 0.1255 -0.0898 708 TYR A CB 4017 C CG . TYR A 626 ? 0.7506 0.3996 0.6090 0.0761 0.1248 -0.0918 708 TYR A CG 4018 C CD1 . TYR A 626 ? 0.8540 0.4985 0.7020 0.0827 0.1264 -0.0946 708 TYR A CD1 4019 C CD2 . TYR A 626 ? 0.7565 0.4159 0.6162 0.0728 0.1228 -0.0910 708 TYR A CD2 4020 C CE1 . TYR A 626 ? 0.8829 0.5330 0.7215 0.0859 0.1268 -0.0958 708 TYR A CE1 4021 C CE2 . TYR A 626 ? 0.7483 0.4130 0.5990 0.0758 0.1227 -0.0923 708 TYR A CE2 4022 C CZ . TYR A 626 ? 0.8228 0.4828 0.6628 0.0824 0.1251 -0.0944 708 TYR A CZ 4023 O OH . TYR A 626 ? 0.8666 0.5312 0.6969 0.0857 0.1260 -0.0951 708 TYR A OH 4024 N N . TYR A 627 ? 0.8645 0.4944 0.7482 0.0609 0.1078 -0.1028 709 TYR A N 4025 C CA . TYR A 627 ? 0.9790 0.6111 0.8652 0.0572 0.1002 -0.1078 709 TYR A CA 4026 C C . TYR A 627 ? 1.1066 0.7246 1.0000 0.0544 0.0904 -0.1159 709 TYR A C 4027 O O . TYR A 627 ? 1.1614 0.7728 1.0654 0.0504 0.0898 -0.1140 709 TYR A O 4028 C CB . TYR A 627 ? 1.0127 0.6579 0.9065 0.0520 0.1032 -0.1011 709 TYR A CB 4029 C CG . TYR A 627 ? 0.9602 0.6195 0.8487 0.0547 0.1113 -0.0936 709 TYR A CG 4030 C CD1 . TYR A 627 ? 0.9149 0.5775 0.8054 0.0558 0.1194 -0.0860 709 TYR A CD1 4031 C CD2 . TYR A 627 ? 0.9244 0.5930 0.8062 0.0562 0.1103 -0.0941 709 TYR A CD2 4032 C CE1 . TYR A 627 ? 0.8827 0.5577 0.7696 0.0583 0.1252 -0.0794 709 TYR A CE1 4033 C CE2 . TYR A 627 ? 0.9261 0.6069 0.8048 0.0585 0.1167 -0.0871 709 TYR A CE2 4034 C CZ . TYR A 627 ? 0.9043 0.5884 0.7860 0.0595 0.1236 -0.0799 709 TYR A CZ 4035 O OH . TYR A 627 ? 0.8715 0.5674 0.7513 0.0618 0.1287 -0.0733 709 TYR A OH 4036 N N . LYS A 628 ? 1.1950 0.8080 1.0828 0.0564 0.0827 -0.1248 710 LYS A N 4037 C CA . LYS A 628 ? 1.2729 0.8727 1.1681 0.0542 0.0713 -0.1338 710 LYS A CA 4038 C C . LYS A 628 ? 1.4702 1.0752 1.3711 0.0493 0.0640 -0.1364 710 LYS A C 4039 O O . LYS A 628 ? 1.4605 1.0785 1.3569 0.0489 0.0675 -0.1328 710 LYS A O 4040 C CB . LYS A 628 ? 1.1419 0.7319 1.0281 0.0601 0.0673 -0.1433 710 LYS A CB 4041 N N . SER A 629 ? 1.5678 1.1621 1.4793 0.0456 0.0531 -0.1427 711 SER A N 4042 C CA . SER A 629 ? 1.5692 1.1669 1.4873 0.0409 0.0446 -0.1457 711 SER A CA 4043 C C . SER A 629 ? 1.6566 1.2548 1.5686 0.0440 0.0383 -0.1556 711 SER A C 4044 O O . SER A 629 ? 1.6387 1.2407 1.5556 0.0408 0.0313 -0.1591 711 SER A O 4045 C CB . SER A 629 ? 1.4785 1.0636 1.4104 0.0354 0.0350 -0.1472 711 SER A CB 4046 O OG . SER A 629 ? 1.3837 0.9709 1.3210 0.0311 0.0258 -0.1497 711 SER A OG 4047 N N . ASN A 630 ? 1.7253 1.3196 1.6262 0.0499 0.0421 -0.1600 712 ASN A N 4048 C CA . ASN A 630 ? 1.7247 1.3179 1.6166 0.0527 0.0394 -0.1690 712 ASN A CA 4049 C C . ASN A 630 ? 1.6633 1.2683 1.5379 0.0559 0.0474 -0.1639 712 ASN A C 4050 O O . ASN A 630 ? 1.6205 1.2286 1.4895 0.0554 0.0446 -0.1680 712 ASN A O 4051 C CB . ASN A 630 ? 1.7351 1.3152 1.6216 0.0573 0.0392 -0.1768 712 ASN A CB 4052 N N . SER A 631 ? 1.5985 1.2097 1.4654 0.0591 0.0575 -0.1548 713 SER A N 4053 C CA . SER A 631 ? 1.4709 1.0930 1.3234 0.0625 0.0654 -0.1491 713 SER A CA 4054 C C . SER A 631 ? 1.3035 0.9384 1.1621 0.0576 0.0650 -0.1437 713 SER A C 4055 O O . SER A 631 ? 1.1921 0.8309 1.0640 0.0528 0.0644 -0.1392 713 SER A O 4056 C CB . SER A 631 ? 1.4791 1.1044 1.3249 0.0670 0.0759 -0.1412 713 SER A CB 4057 O OG . SER A 631 ? 1.4677 1.1038 1.3023 0.0700 0.0831 -0.1350 713 SER A OG 4058 N N . LYS A 632 ? 1.2267 0.8674 1.0747 0.0591 0.0658 -0.1439 714 LYS A N 4059 C CA . LYS A 632 ? 1.1546 0.8070 1.0079 0.0548 0.0649 -0.1398 714 LYS A CA 4060 C C . LYS A 632 ? 1.0598 0.7245 0.9155 0.0545 0.0738 -0.1287 714 LYS A C 4061 O O . LYS A 632 ? 0.9459 0.6200 0.8105 0.0500 0.0732 -0.1246 714 LYS A O 4062 C CB . LYS A 632 ? 1.1317 0.7852 0.9714 0.0569 0.0636 -0.1428 714 LYS A CB 4063 C CG . LYS A 632 ? 1.1533 0.7951 0.9893 0.0569 0.0552 -0.1539 714 LYS A CG 4064 C CD . LYS A 632 ? 1.1044 0.7478 0.9271 0.0577 0.0537 -0.1556 714 LYS A CD 4065 C CE . LYS A 632 ? 1.0386 0.6849 0.8414 0.0645 0.0632 -0.1491 714 LYS A CE 4066 N NZ . LYS A 632 ? 0.9589 0.6060 0.7477 0.0656 0.0620 -0.1494 714 LYS A NZ 4067 N N . LEU A 633 ? 0.9864 0.6510 0.8348 0.0593 0.0820 -0.1243 715 LEU A N 4068 C CA . LEU A 633 ? 0.8753 0.5512 0.7268 0.0594 0.0905 -0.1142 715 LEU A CA 4069 C C . LEU A 633 ? 0.8677 0.5427 0.7319 0.0560 0.0917 -0.1109 715 LEU A C 4070 O O . LEU A 633 ? 0.8762 0.5406 0.7415 0.0571 0.0907 -0.1141 715 LEU A O 4071 C CB . LEU A 633 ? 0.8373 0.5139 0.6765 0.0662 0.0985 -0.1105 715 LEU A CB 4072 C CG . LEU A 633 ? 0.8544 0.5432 0.6980 0.0664 0.1065 -0.1004 715 LEU A CG 4073 C CD1 . LEU A 633 ? 0.7962 0.4971 0.6438 0.0632 0.1062 -0.0965 715 LEU A CD1 4074 C CD2 . LEU A 633 ? 0.8326 0.5216 0.6660 0.0732 0.1138 -0.0968 715 LEU A CD2 4075 N N . SER A 634 ? 0.8682 0.5537 0.7418 0.0518 0.0941 -0.1047 716 SER A N 4076 C CA . SER A 634 ? 0.8962 0.5813 0.7804 0.0488 0.0969 -0.1004 716 SER A CA 4077 C C . SER A 634 ? 0.9594 0.6580 0.8472 0.0482 0.1043 -0.0913 716 SER A C 4078 O O . SER A 634 ? 1.0136 0.7204 0.8954 0.0512 0.1075 -0.0881 716 SER A O 4079 C CB . SER A 634 ? 0.8705 0.5514 0.7661 0.0427 0.0899 -0.1041 716 SER A CB 4080 O OG . SER A 634 ? 1.0427 0.7105 0.9368 0.0432 0.0816 -0.1130 716 SER A OG 4081 N N . TYR A 635 ? 0.9837 0.6842 0.8815 0.0446 0.1070 -0.0872 717 TYR A N 4082 C CA . TYR A 635 ? 0.9621 0.6752 0.8641 0.0441 0.1130 -0.0793 717 TYR A CA 4083 C C . TYR A 635 ? 0.9282 0.6484 0.8405 0.0385 0.1108 -0.0783 717 TYR A C 4084 O O . TYR A 635 ? 0.9669 0.6808 0.8862 0.0344 0.1072 -0.0816 717 TYR A O 4085 C CB . TYR A 635 ? 0.9631 0.6737 0.8666 0.0459 0.1200 -0.0740 717 TYR A CB 4086 C CG . TYR A 635 ? 0.8527 0.5545 0.7643 0.0422 0.1204 -0.0746 717 TYR A CG 4087 C CD1 . TYR A 635 ? 0.7069 0.3945 0.6174 0.0426 0.1172 -0.0800 717 TYR A CD1 4088 C CD2 . TYR A 635 ? 0.8794 0.5869 0.8003 0.0385 0.1242 -0.0698 717 TYR A CD2 4089 C CE1 . TYR A 635 ? 0.7621 0.4412 0.6815 0.0390 0.1176 -0.0801 717 TYR A CE1 4090 C CE2 . TYR A 635 ? 0.8513 0.5506 0.7803 0.0351 0.1259 -0.0697 717 TYR A CE2 4091 C CZ . TYR A 635 ? 0.8156 0.5008 0.7444 0.0351 0.1225 -0.0745 717 TYR A CZ 4092 O OH . TYR A 635 ? 0.7364 0.4132 0.6748 0.0314 0.1242 -0.0739 717 TYR A OH 4093 N N . GLY A 636 ? 0.8222 0.5552 0.7361 0.0385 0.1128 -0.0738 718 GLY A N 4094 C CA . GLY A 636 ? 0.7943 0.5352 0.7178 0.0340 0.1116 -0.0723 718 GLY A CA 4095 C C . GLY A 636 ? 0.7847 0.5345 0.7120 0.0349 0.1180 -0.0650 718 GLY A C 4096 O O . GLY A 636 ? 0.7099 0.4614 0.6321 0.0391 0.1220 -0.0611 718 GLY A O 4097 N N . PHE A 637 ? 0.7833 0.5384 0.7196 0.0312 0.1186 -0.0633 719 PHE A N 4098 C CA . PHE A 637 ? 0.6780 0.4413 0.6177 0.0324 0.1239 -0.0570 719 PHE A CA 4099 C C . PHE A 637 ? 0.6473 0.4234 0.5888 0.0327 0.1208 -0.0557 719 PHE A C 4100 O O . PHE A 637 ? 0.7778 0.5571 0.7226 0.0298 0.1156 -0.0593 719 PHE A O 4101 C CB . PHE A 637 ? 0.6604 0.4213 0.6086 0.0290 0.1279 -0.0554 719 PHE A CB 4102 C CG . PHE A 637 ? 0.7891 0.5370 0.7376 0.0283 0.1312 -0.0562 719 PHE A CG 4103 C CD1 . PHE A 637 ? 0.8534 0.5967 0.7976 0.0319 0.1375 -0.0518 719 PHE A CD1 4104 C CD2 . PHE A 637 ? 0.8073 0.5472 0.7611 0.0241 0.1275 -0.0614 719 PHE A CD2 4105 C CE1 . PHE A 637 ? 0.8716 0.6025 0.8168 0.0313 0.1404 -0.0526 719 PHE A CE1 4106 C CE2 . PHE A 637 ? 0.8260 0.5534 0.7814 0.0234 0.1298 -0.0623 719 PHE A CE2 4107 C CZ . PHE A 637 ? 0.8454 0.5682 0.7965 0.0270 0.1365 -0.0578 719 PHE A CZ 4108 N N . LEU A 638 ? 0.5322 0.3153 0.4720 0.0364 0.1234 -0.0506 720 LEU A N 4109 C CA . LEU A 638 ? 0.5926 0.3877 0.5358 0.0369 0.1203 -0.0491 720 LEU A CA 4110 C C . LEU A 638 ? 0.6993 0.4990 0.6504 0.0343 0.1209 -0.0481 720 LEU A C 4111 O O . LEU A 638 ? 0.7507 0.5578 0.7068 0.0324 0.1167 -0.0497 720 LEU A O 4112 C CB . LEU A 638 ? 0.4945 0.2951 0.4346 0.0419 0.1219 -0.0445 720 LEU A CB 4113 C CG . LEU A 638 ? 0.5008 0.2996 0.4341 0.0451 0.1217 -0.0448 720 LEU A CG 4114 C CD1 . LEU A 638 ? 0.4340 0.2398 0.3673 0.0497 0.1229 -0.0400 720 LEU A CD1 4115 C CD2 . LEU A 638 ? 0.5229 0.3235 0.4553 0.0434 0.1172 -0.0489 720 LEU A CD2 4116 N N . THR A 639 ? 0.7364 0.5311 0.6885 0.0345 0.1266 -0.0452 721 THR A N 4117 C CA . THR A 639 ? 0.7206 0.5178 0.6796 0.0325 0.1290 -0.0439 721 THR A CA 4118 C C . THR A 639 ? 0.7961 0.5843 0.7600 0.0279 0.1318 -0.0466 721 THR A C 4119 O O . THR A 639 ? 0.8610 0.6392 0.8222 0.0282 0.1357 -0.0462 721 THR A O 4120 C CB . THR A 639 ? 0.7255 0.5234 0.6823 0.0365 0.1344 -0.0380 721 THR A CB 4121 O OG1 . THR A 639 ? 0.7154 0.5216 0.6691 0.0408 0.1308 -0.0360 721 THR A OG1 4122 C CG2 . THR A 639 ? 0.7456 0.5457 0.7085 0.0352 0.1377 -0.0365 721 THR A CG2 4123 N N . PRO A 640 ? 0.9721 0.7637 0.9442 0.0238 0.1295 -0.0495 722 PRO A N 4124 C CA . PRO A 640 ? 1.1076 0.8917 1.0873 0.0190 0.1312 -0.0524 722 PRO A CA 4125 C C . PRO A 640 ? 1.2366 1.0142 1.2193 0.0193 0.1409 -0.0481 722 PRO A C 4126 O O . PRO A 640 ? 1.3455 1.1276 1.3286 0.0217 0.1458 -0.0435 722 PRO A O 4127 C CB . PRO A 640 ? 1.1452 0.9375 1.1338 0.0156 0.1275 -0.0550 722 PRO A CB 4128 C CG . PRO A 640 ? 1.0953 0.8985 1.0813 0.0194 0.1265 -0.0519 722 PRO A CG 4129 C CD . PRO A 640 ? 1.0510 0.8540 1.0267 0.0237 0.1247 -0.0502 722 PRO A CD 4130 N N . PRO A 641 ? 1.2557 1.0219 1.2403 0.0172 0.1433 -0.0495 723 PRO A N 4131 C CA . PRO A 641 ? 1.2416 1.0001 1.2295 0.0175 0.1531 -0.0450 723 PRO A CA 4132 C C . PRO A 641 ? 1.2324 0.9921 1.2336 0.0138 0.1587 -0.0440 723 PRO A C 4133 O O . PRO A 641 ? 1.3453 1.1003 1.3494 0.0149 0.1685 -0.0388 723 PRO A O 4134 C CB . PRO A 641 ? 1.2586 1.0049 1.2457 0.0160 0.1513 -0.0482 723 PRO A CB 4135 C CG . PRO A 641 ? 1.2904 1.0377 1.2792 0.0128 0.1409 -0.0552 723 PRO A CG 4136 C CD . PRO A 641 ? 1.3126 1.0720 1.2959 0.0150 0.1362 -0.0554 723 PRO A CD 4137 N N . ARG A 642 ? 1.1101 0.8759 1.1196 0.0098 0.1530 -0.0484 724 ARG A N 4138 C CA . ARG A 642 ? 1.0449 0.8124 1.0692 0.0060 0.1582 -0.0479 724 ARG A CA 4139 C C . ARG A 642 ? 1.0761 0.8526 1.1003 0.0091 0.1635 -0.0437 724 ARG A C 4140 O O . ARG A 642 ? 1.0965 0.8769 1.1324 0.0066 0.1669 -0.0438 724 ARG A O 4141 C CB . ARG A 642 ? 0.8971 0.6673 0.9313 0.0004 0.1492 -0.0546 724 ARG A CB 4142 C CG . ARG A 642 ? 0.8150 0.5750 0.8497 -0.0026 0.1425 -0.0591 724 ARG A CG 4143 C CD . ARG A 642 ? 0.7807 0.5420 0.8280 -0.0085 0.1347 -0.0645 724 ARG A CD 4144 N NE . ARG A 642 ? 0.8212 0.5709 0.8728 -0.0117 0.1298 -0.0677 724 ARG A NE 4145 C CZ . ARG A 642 ? 0.8152 0.5633 0.8771 -0.0169 0.1214 -0.0724 724 ARG A CZ 4146 N NH1 . ARG A 642 ? 0.7227 0.4806 0.7922 -0.0194 0.1176 -0.0744 724 ARG A NH1 4147 N NH2 . ARG A 642 ? 0.8162 0.5525 0.8808 -0.0194 0.1160 -0.0752 724 ARG A NH2 4148 N N . LEU A 643 ? 1.0880 0.8674 1.0991 0.0148 0.1636 -0.0400 725 LEU A N 4149 C CA . LEU A 643 ? 1.1945 0.9815 1.2029 0.0189 0.1664 -0.0361 725 LEU A CA 4150 C C . LEU A 643 ? 1.3614 1.1421 1.3724 0.0209 0.1793 -0.0297 725 LEU A C 4151 O O . LEU A 643 ? 1.4646 1.2354 1.4734 0.0216 0.1857 -0.0264 725 LEU A O 4152 C CB . LEU A 643 ? 1.1151 0.9071 1.1099 0.0245 0.1608 -0.0343 725 LEU A CB 4153 C CG . LEU A 643 ? 1.0309 0.8346 1.0236 0.0281 0.1560 -0.0337 725 LEU A CG 4154 C CD1 . LEU A 643 ? 0.9792 0.7909 0.9800 0.0240 0.1486 -0.0395 725 LEU A CD1 4155 C CD2 . LEU A 643 ? 0.9918 0.7996 0.9735 0.0333 0.1503 -0.0321 725 LEU A CD2 4156 N N . ASN A 644 ? 1.3166 1.1030 1.3324 0.0221 0.1829 -0.0278 726 ASN A N 4157 C CA . ASN A 644 ? 1.1997 0.9808 1.2182 0.0247 0.1959 -0.0212 726 ASN A CA 4158 C C . ASN A 644 ? 1.0950 0.8650 1.1251 0.0204 0.2058 -0.0196 726 ASN A C 4159 O O . ASN A 644 ? 0.9766 0.7419 1.0129 0.0217 0.2181 -0.0139 726 ASN A O 4160 C CB . ASN A 644 ? 1.1608 0.9403 1.1630 0.0328 0.1982 -0.0145 726 ASN A CB 4161 C CG . ASN A 644 ? 1.1055 0.8754 1.0993 0.0343 0.2003 -0.0119 726 ASN A CG 4162 O OD1 . ASN A 644 ? 1.1640 0.9241 1.1641 0.0310 0.2070 -0.0111 726 ASN A OD1 4163 N ND2 . ASN A 644 ? 0.9488 0.7217 0.9291 0.0395 0.1940 -0.0106 726 ASN A ND2 4164 N N . HIS A 649 ? 1.0364 0.7727 1.1291 0.0063 0.2424 -0.0089 731 HIS A N 4165 C CA . HIS A 649 ? 1.0409 0.7706 1.1143 0.0104 0.2394 -0.0079 731 HIS A CA 4166 C C . HIS A 649 ? 1.1037 0.8388 1.1641 0.0099 0.2241 -0.0157 731 HIS A C 4167 O O . HIS A 649 ? 1.2075 0.9515 1.2725 0.0068 0.2161 -0.0214 731 HIS A O 4168 C CB . HIS A 649 ? 0.9828 0.7098 1.0407 0.0189 0.2506 0.0011 731 HIS A CB 4169 N N . ILE A 650 ? 1.0355 0.7655 1.0803 0.0132 0.2203 -0.0154 732 ILE A N 4170 C CA . ILE A 650 ? 0.9562 0.6908 0.9893 0.0134 0.2069 -0.0218 732 ILE A CA 4171 C C . ILE A 650 ? 0.9996 0.7332 1.0134 0.0203 0.2070 -0.0179 732 ILE A C 4172 O O . ILE A 650 ? 1.0592 0.7840 1.0682 0.0234 0.2137 -0.0130 732 ILE A O 4173 C CB . ILE A 650 ? 0.8507 0.5793 0.8889 0.0084 0.1974 -0.0284 732 ILE A CB 4174 C CG1 . ILE A 650 ? 0.5444 0.2761 0.5682 0.0102 0.1856 -0.0336 732 ILE A CG1 4175 C CG2 . ILE A 650 ? 0.9611 0.6769 1.0022 0.0085 0.2032 -0.0250 732 ILE A CG2 4176 C CD1 . ILE A 650 ? 0.5175 0.2423 0.5433 0.0065 0.1756 -0.0402 732 ILE A CD1 4177 N N . TYR A 651 ? 0.9973 0.7406 1.0015 0.0227 0.1991 -0.0200 733 TYR A N 4178 C CA . TYR A 651 ? 1.0373 0.7819 1.0255 0.0291 0.1972 -0.0167 733 TYR A CA 4179 C C . TYR A 651 ? 1.0100 0.7471 0.9919 0.0296 0.1936 -0.0186 733 TYR A C 4180 O O . TYR A 651 ? 1.1163 0.8543 1.0994 0.0265 0.1850 -0.0250 733 TYR A O 4181 C CB . TYR A 651 ? 1.0911 0.8485 1.0739 0.0307 0.1876 -0.0193 733 TYR A CB 4182 C CG . TYR A 651 ? 1.1584 0.9191 1.1277 0.0375 0.1852 -0.0155 733 TYR A CG 4183 C CD1 . TYR A 651 ? 1.2056 0.9629 1.1687 0.0429 0.1927 -0.0083 733 TYR A CD1 4184 C CD2 . TYR A 651 ? 1.1133 0.8806 1.0768 0.0387 0.1752 -0.0188 733 TYR A CD2 4185 C CE1 . TYR A 651 ? 1.2070 0.9675 1.1587 0.0492 0.1890 -0.0052 733 TYR A CE1 4186 C CE2 . TYR A 651 ? 1.0699 0.8408 1.0238 0.0447 0.1725 -0.0155 733 TYR A CE2 4187 C CZ . TYR A 651 ? 1.0991 0.8668 1.0473 0.0498 0.1789 -0.0091 733 TYR A CZ 4188 O OH . TYR A 651 ? 1.0281 0.7996 0.9676 0.0559 0.1752 -0.0063 733 TYR A OH 4189 N N . SER A 652 ? 0.8408 0.5702 0.8155 0.0340 0.2003 -0.0129 734 SER A N 4190 C CA . SER A 652 ? 0.6856 0.4066 0.6552 0.0349 0.1983 -0.0142 734 SER A CA 4191 C C . SER A 652 ? 0.6601 0.3861 0.6172 0.0394 0.1914 -0.0147 734 SER A C 4192 O O . SER A 652 ? 0.8628 0.5846 0.8163 0.0396 0.1868 -0.0181 734 SER A O 4193 C CB . SER A 652 ? 0.6140 0.3234 0.5838 0.0372 0.2091 -0.0080 734 SER A CB 4194 O OG . SER A 652 ? 0.7889 0.4998 0.7494 0.0434 0.2152 -0.0006 734 SER A OG 4195 N N . GLU A 653 ? 0.4454 0.1802 0.3965 0.0435 0.1903 -0.0114 735 GLU A N 4196 C CA . GLU A 653 ? 0.5185 0.2590 0.4603 0.0479 0.1837 -0.0114 735 GLU A CA 4197 C C . GLU A 653 ? 0.4995 0.2475 0.4428 0.0451 0.1737 -0.0181 735 GLU A C 4198 O O . GLU A 653 ? 0.5261 0.2778 0.4636 0.0481 0.1686 -0.0188 735 GLU A O 4199 C CB . GLU A 653 ? 0.6649 0.4128 0.6014 0.0531 0.1835 -0.0066 735 GLU A CB 4200 C CG . GLU A 653 ? 0.7172 0.4570 0.6474 0.0581 0.1923 0.0008 735 GLU A CG 4201 C CD . GLU A 653 ? 0.7232 0.4703 0.6469 0.0641 0.1900 0.0047 735 GLU A CD 4202 O OE1 . GLU A 653 ? 0.6507 0.4089 0.5773 0.0634 0.1832 0.0017 735 GLU A OE1 4203 O OE2 . GLU A 653 ? 0.9035 0.6450 0.8192 0.0699 0.1945 0.0103 735 GLU A OE2 4204 N N . ALA A 654 ? 0.4160 0.1660 0.3675 0.0398 0.1713 -0.0227 736 ALA A N 4205 C CA . ALA A 654 ? 0.5954 0.3506 0.5479 0.0372 0.1623 -0.0289 736 ALA A CA 4206 C C . ALA A 654 ? 0.5549 0.3003 0.5052 0.0362 0.1608 -0.0327 736 ALA A C 4207 O O . ALA A 654 ? 0.5643 0.3117 0.5121 0.0357 0.1539 -0.0373 736 ALA A O 4208 C CB . ALA A 654 ? 0.5989 0.3591 0.5608 0.0322 0.1598 -0.0326 736 ALA A CB 4209 N N . LEU A 655 ? 0.5207 0.2550 0.4718 0.0363 0.1672 -0.0305 737 LEU A N 4210 C CA . LEU A 655 ? 0.5426 0.2662 0.4916 0.0360 0.1655 -0.0341 737 LEU A CA 4211 C C . LEU A 655 ? 0.5644 0.2851 0.5036 0.0418 0.1673 -0.0309 737 LEU A C 4212 O O . LEU A 655 ? 0.6069 0.3172 0.5436 0.0427 0.1678 -0.0324 737 LEU A O 4213 C CB . LEU A 655 ? 0.5174 0.2298 0.4750 0.0325 0.1705 -0.0341 737 LEU A CB 4214 C CG . LEU A 655 ? 0.5538 0.2684 0.5236 0.0264 0.1692 -0.0371 737 LEU A CG 4215 C CD1 . LEU A 655 ? 0.5663 0.2697 0.5466 0.0231 0.1742 -0.0363 737 LEU A CD1 4216 C CD2 . LEU A 655 ? 0.5516 0.2693 0.5214 0.0238 0.1584 -0.0446 737 LEU A CD2 4217 N N . LEU A 656 ? 0.5183 0.2480 0.4526 0.0457 0.1675 -0.0268 738 LEU A N 4218 C CA . LEU A 656 ? 0.6110 0.3396 0.5371 0.0513 0.1682 -0.0239 738 LEU A CA 4219 C C . LEU A 656 ? 0.6047 0.3343 0.5268 0.0521 0.1618 -0.0288 738 LEU A C 4220 O O . LEU A 656 ? 0.6661 0.4014 0.5903 0.0494 0.1562 -0.0332 738 LEU A O 4221 C CB . LEU A 656 ? 0.5365 0.2748 0.4599 0.0552 0.1685 -0.0186 738 LEU A CB 4222 C CG . LEU A 656 ? 0.5166 0.2498 0.4363 0.0594 0.1755 -0.0119 738 LEU A CG 4223 C CD1 . LEU A 656 ? 0.6778 0.4029 0.6021 0.0566 0.1830 -0.0099 738 LEU A CD1 4224 C CD2 . LEU A 656 ? 0.4777 0.2211 0.3949 0.0635 0.1734 -0.0080 738 LEU A CD2 4225 N N . THR A 657 ? 0.5440 0.2677 0.4601 0.0561 0.1631 -0.0282 739 THR A N 4226 C CA . THR A 657 ? 0.6789 0.4026 0.5903 0.0579 0.1585 -0.0324 739 THR A CA 4227 C C . THR A 657 ? 0.7134 0.4503 0.6239 0.0594 0.1544 -0.0318 739 THR A C 4228 O O . THR A 657 ? 0.7188 0.4577 0.6269 0.0596 0.1503 -0.0357 739 THR A O 4229 C CB . THR A 657 ? 0.6596 0.3751 0.5650 0.0628 0.1613 -0.0311 739 THR A CB 4230 O OG1 . THR A 657 ? 0.6841 0.4024 0.5884 0.0665 0.1656 -0.0244 739 THR A OG1 4231 C CG2 . THR A 657 ? 0.6254 0.3265 0.5317 0.0612 0.1632 -0.0339 739 THR A CG2 4232 N N . SER A 658 ? 0.6528 0.3981 0.5652 0.0609 0.1554 -0.0268 740 SER A N 4233 C CA . SER A 658 ? 0.6896 0.4472 0.6027 0.0628 0.1514 -0.0258 740 SER A CA 4234 C C . SER A 658 ? 0.6668 0.4324 0.5851 0.0586 0.1469 -0.0286 740 SER A C 4235 O O . SER A 658 ? 0.6406 0.4166 0.5609 0.0596 0.1433 -0.0278 740 SER A O 4236 C CB . SER A 658 ? 0.6968 0.4595 0.6101 0.0668 0.1530 -0.0200 740 SER A CB 4237 O OG . SER A 658 ? 0.7307 0.4916 0.6461 0.0653 0.1562 -0.0175 740 SER A OG 4238 N N . ASN A 659 ? 0.5602 0.3206 0.4811 0.0540 0.1468 -0.0321 741 ASN A N 4239 C CA . ASN A 659 ? 0.5616 0.3287 0.4878 0.0498 0.1425 -0.0351 741 ASN A CA 4240 C C . ASN A 659 ? 0.6987 0.4612 0.6237 0.0471 0.1386 -0.0414 741 ASN A C 4241 O O . ASN A 659 ? 0.7190 0.4843 0.6484 0.0432 0.1350 -0.0447 741 ASN A O 4242 C CB . ASN A 659 ? 0.5345 0.3012 0.4667 0.0467 0.1453 -0.0337 741 ASN A CB 4243 C CG . ASN A 659 ? 0.5406 0.3166 0.4789 0.0434 0.1409 -0.0358 741 ASN A CG 4244 O OD1 . ASN A 659 ? 0.4942 0.2790 0.4324 0.0444 0.1360 -0.0367 741 ASN A OD1 4245 N ND2 . ASN A 659 ? 0.5984 0.3721 0.5427 0.0395 0.1429 -0.0367 741 ASN A ND2 4246 N N . ILE A 660 ? 0.6445 0.3993 0.5632 0.0495 0.1391 -0.0433 742 ILE A N 4247 C CA . ILE A 660 ? 0.5480 0.2970 0.4637 0.0480 0.1349 -0.0497 742 ILE A CA 4248 C C . ILE A 660 ? 0.5457 0.2989 0.4552 0.0514 0.1327 -0.0506 742 ILE A C 4249 O O . ILE A 660 ? 0.6287 0.3850 0.5352 0.0557 0.1355 -0.0468 742 ILE A O 4250 C CB . ILE A 660 ? 0.6076 0.3423 0.5208 0.0480 0.1362 -0.0528 742 ILE A CB 4251 C CG1 . ILE A 660 ? 0.5775 0.3079 0.4845 0.0533 0.1404 -0.0500 742 ILE A CG1 4252 C CG2 . ILE A 660 ? 0.7777 0.5074 0.6986 0.0439 0.1385 -0.0523 742 ILE A CG2 4253 C CD1 . ILE A 660 ? 0.4708 0.1869 0.3739 0.0543 0.1403 -0.0543 742 ILE A CD1 4254 N N . VAL A 661 ? 0.4875 0.2404 0.3954 0.0496 0.1280 -0.0556 743 VAL A N 4255 C CA . VAL A 661 ? 0.5185 0.2738 0.4196 0.0528 0.1267 -0.0568 743 VAL A CA 4256 C C . VAL A 661 ? 0.5796 0.3250 0.4745 0.0525 0.1229 -0.0639 743 VAL A C 4257 O O . VAL A 661 ? 0.6872 0.4279 0.5857 0.0484 0.1189 -0.0682 743 VAL A O 4258 C CB . VAL A 661 ? 0.5961 0.3635 0.5013 0.0517 0.1244 -0.0549 743 VAL A CB 4259 C CG1 . VAL A 661 ? 0.5972 0.3741 0.5071 0.0538 0.1273 -0.0483 743 VAL A CG1 4260 C CG2 . VAL A 661 ? 0.4026 0.1719 0.3143 0.0463 0.1199 -0.0580 743 VAL A CG2 4261 N N . PRO A 662 ? 0.4504 0.1922 0.3359 0.0570 0.1240 -0.0652 744 PRO A N 4262 C CA . PRO A 662 ? 0.4660 0.1979 0.3437 0.0577 0.1201 -0.0725 744 PRO A CA 4263 C C . PRO A 662 ? 0.5490 0.2840 0.4279 0.0542 0.1144 -0.0761 744 PRO A C 4264 O O . PRO A 662 ? 0.6084 0.3527 0.4876 0.0545 0.1150 -0.0731 744 PRO A O 4265 C CB . PRO A 662 ? 0.4754 0.2061 0.3427 0.0639 0.1240 -0.0714 744 PRO A CB 4266 C CG . PRO A 662 ? 0.4607 0.2033 0.3323 0.0654 0.1284 -0.0637 744 PRO A CG 4267 C CD . PRO A 662 ? 1.1811 0.9275 1.0629 0.0621 0.1290 -0.0602 744 PRO A CD 4268 N N . MSE A 663 ? 0.5492 0.2762 0.4297 0.0511 0.1086 -0.0825 745 MSE A N 4269 C CA . MSE A 663 ? 0.5993 0.3288 0.4827 0.0472 0.1023 -0.0862 745 MSE A CA 4270 C C . MSE A 663 ? 0.6953 0.4128 0.5747 0.0466 0.0951 -0.0950 745 MSE A C 4271 O O . MSE A 663 ? 0.8400 0.5484 0.7229 0.0454 0.0929 -0.0983 745 MSE A O 4272 C CB . MSE A 663 ? 0.7689 0.5053 0.6655 0.0419 0.1013 -0.0834 745 MSE A CB 4273 C CG . MSE A 663 ? 0.9121 0.6519 0.8133 0.0377 0.0946 -0.0868 745 MSE A CG 4274 SE SE . MSE A 663 ? 0.9660 0.7152 0.8835 0.0317 0.0949 -0.0828 745 MSE A SE 4275 C CE . MSE A 663 ? 0.4050 0.1678 0.3224 0.0352 0.1028 -0.0737 745 MSE A CE 4276 N N . TYR A 664 ? 0.7046 0.4218 0.5768 0.0476 0.0914 -0.0987 746 TYR A N 4277 C CA . TYR A 664 ? 0.6956 0.4023 0.5643 0.0469 0.0833 -0.1076 746 TYR A CA 4278 C C . TYR A 664 ? 0.6316 0.3368 0.5138 0.0408 0.0758 -0.1109 746 TYR A C 4279 O O . TYR A 664 ? 0.6575 0.3718 0.5495 0.0369 0.0765 -0.1064 746 TYR A O 4280 C CB . TYR A 664 ? 0.7622 0.4702 0.6206 0.0486 0.0814 -0.1098 746 TYR A CB 4281 C CG . TYR A 664 ? 0.7949 0.5008 0.6375 0.0553 0.0880 -0.1078 746 TYR A CG 4282 C CD1 . TYR A 664 ? 0.7189 0.4150 0.5533 0.0597 0.0899 -0.1108 746 TYR A CD1 4283 C CD2 . TYR A 664 ? 0.7337 0.4472 0.5701 0.0573 0.0923 -0.1028 746 TYR A CD2 4284 C CE1 . TYR A 664 ? 0.6723 0.3665 0.4921 0.0662 0.0962 -0.1086 746 TYR A CE1 4285 C CE2 . TYR A 664 ? 0.6754 0.3867 0.4977 0.0637 0.0988 -0.1002 746 TYR A CE2 4286 C CZ . TYR A 664 ? 0.7379 0.4398 0.5517 0.0682 0.1008 -0.1031 746 TYR A CZ 4287 O OH . TYR A 664 ? 0.8771 0.5770 0.6770 0.0751 0.1076 -0.1002 746 TYR A OH 4288 N N . GLN A 665 ? 0.6317 0.3253 0.5148 0.0401 0.0684 -0.1187 747 GLN A N 4289 C CA . GLN A 665 ? 0.6422 0.3326 0.5388 0.0345 0.0603 -0.1220 747 GLN A CA 4290 C C . GLN A 665 ? 0.7703 0.4673 0.6705 0.0313 0.0541 -0.1236 747 GLN A C 4291 O O . GLN A 665 ? 0.8145 0.5144 0.7265 0.0263 0.0501 -0.1224 747 GLN A O 4292 C CB . GLN A 665 ? 0.5425 0.2183 0.4402 0.0350 0.0526 -0.1306 747 GLN A CB 4293 N N . SER A 666 ? 0.8338 0.5324 0.7229 0.0342 0.0539 -0.1259 748 SER A N 4294 C CA . SER A 666 ? 0.8552 0.5595 0.7463 0.0316 0.0484 -0.1276 748 SER A CA 4295 C C . SER A 666 ? 0.7759 0.4935 0.6726 0.0294 0.0531 -0.1195 748 SER A C 4296 O O . SER A 666 ? 0.8001 0.5228 0.7049 0.0255 0.0476 -0.1198 748 SER A O 4297 C CB . SER A 666 ? 0.8902 0.5914 0.7652 0.0355 0.0489 -0.1312 748 SER A CB 4298 O OG . SER A 666 ? 0.9802 0.6859 0.8434 0.0400 0.0590 -0.1243 748 SER A OG 4299 N N . PHE A 667 ? 0.6592 0.3824 0.5523 0.0321 0.0630 -0.1124 749 PHE A N 4300 C CA . PHE A 667 ? 0.6024 0.3385 0.5019 0.0305 0.0678 -0.1051 749 PHE A CA 4301 C C . PHE A 667 ? 0.5689 0.3079 0.4822 0.0261 0.0679 -0.1024 749 PHE A C 4302 O O . PHE A 667 ? 0.5245 0.2733 0.4460 0.0233 0.0685 -0.0987 749 PHE A O 4303 C CB . PHE A 667 ? 0.6349 0.3760 0.5270 0.0351 0.0775 -0.0986 749 PHE A CB 4304 C CG . PHE A 667 ? 0.6581 0.4124 0.5571 0.0340 0.0815 -0.0918 749 PHE A CG 4305 C CD1 . PHE A 667 ? 0.7227 0.4831 0.6194 0.0341 0.0805 -0.0908 749 PHE A CD1 4306 C CD2 . PHE A 667 ? 0.6829 0.4429 0.5903 0.0329 0.0862 -0.0866 749 PHE A CD2 4307 C CE1 . PHE A 667 ? 0.7328 0.5048 0.6369 0.0333 0.0833 -0.0851 749 PHE A CE1 4308 C CE2 . PHE A 667 ? 0.6728 0.4447 0.5867 0.0323 0.0890 -0.0811 749 PHE A CE2 4309 C CZ . PHE A 667 ? 0.6810 0.4591 0.5939 0.0325 0.0872 -0.0805 749 PHE A CZ 4310 N N . GLN A 668 ? 0.5628 0.2929 0.4785 0.0257 0.0678 -0.1042 750 GLN A N 4311 C CA . GLN A 668 ? 0.5778 0.3086 0.5057 0.0215 0.0691 -0.1015 750 GLN A CA 4312 C C . GLN A 668 ? 0.5280 0.2595 0.4654 0.0162 0.0610 -0.1043 750 GLN A C 4313 O O . GLN A 668 ? 0.5145 0.2509 0.4627 0.0122 0.0634 -0.1008 750 GLN A O 4314 C CB . GLN A 668 ? 0.5679 0.2869 0.4960 0.0221 0.0702 -0.1033 750 GLN A CB 4315 C CG . GLN A 668 ? 0.7311 0.4502 0.6522 0.0267 0.0793 -0.0989 750 GLN A CG 4316 C CD . GLN A 668 ? 0.9201 0.6267 0.8414 0.0275 0.0800 -0.1009 750 GLN A CD 4317 O OE1 . GLN A 668 ? 0.9345 0.6299 0.8557 0.0269 0.0722 -0.1077 750 GLN A OE1 4318 N NE2 . GLN A 668 ? 1.0293 0.7373 0.9513 0.0289 0.0886 -0.0952 750 GLN A NE2 4319 N N . VAL A 669 ? 0.5092 0.2357 0.4426 0.0163 0.0517 -0.1106 751 VAL A N 4320 C CA . VAL A 669 ? 0.5928 0.3196 0.5339 0.0117 0.0427 -0.1132 751 VAL A CA 4321 C C . VAL A 669 ? 0.6460 0.3867 0.5913 0.0101 0.0455 -0.1084 751 VAL A C 4322 O O . VAL A 669 ? 0.4150 0.1598 0.3704 0.0055 0.0434 -0.1069 751 VAL A O 4323 C CB . VAL A 669 ? 0.6404 0.3593 0.5754 0.0132 0.0317 -0.1213 751 VAL A CB 4324 C CG1 . VAL A 669 ? 0.6613 0.3782 0.6034 0.0084 0.0209 -0.1235 751 VAL A CG1 4325 C CG2 . VAL A 669 ? 0.6596 0.3654 0.5905 0.0158 0.0289 -0.1271 751 VAL A CG2 4326 N N . ILE A 670 ? 0.5857 0.3334 0.5233 0.0139 0.0506 -0.1059 752 ILE A N 4327 C CA . ILE A 670 ? 0.5209 0.2811 0.4620 0.0131 0.0528 -0.1016 752 ILE A CA 4328 C C . ILE A 670 ? 0.6765 0.4452 0.6247 0.0126 0.0617 -0.0950 752 ILE A C 4329 O O . ILE A 670 ? 0.7023 0.4800 0.6593 0.0100 0.0622 -0.0924 752 ILE A O 4330 C CB . ILE A 670 ? 0.4615 0.2248 0.3918 0.0173 0.0552 -0.1010 752 ILE A CB 4331 C CG1 . ILE A 670 ? 0.5656 0.3195 0.4866 0.0189 0.0485 -0.1079 752 ILE A CG1 4332 C CG2 . ILE A 670 ? 0.4445 0.2195 0.3796 0.0162 0.0554 -0.0974 752 ILE A CG2 4333 C CD1 . ILE A 670 ? 0.5465 0.3007 0.4542 0.0234 0.0534 -0.1069 752 ILE A CD1 4334 N N . TRP A 671 ? 0.6910 0.4564 0.6354 0.0154 0.0686 -0.0927 753 TRP A N 4335 C CA . TRP A 671 ? 0.5591 0.3316 0.5082 0.0160 0.0772 -0.0864 753 TRP A CA 4336 C C . TRP A 671 ? 0.5746 0.3472 0.5355 0.0117 0.0788 -0.0855 753 TRP A C 4337 O O . TRP A 671 ? 0.6185 0.4000 0.5860 0.0111 0.0838 -0.0811 753 TRP A O 4338 C CB . TRP A 671 ? 0.5034 0.2709 0.4442 0.0204 0.0835 -0.0844 753 TRP A CB 4339 C CG . TRP A 671 ? 0.5026 0.2774 0.4457 0.0222 0.0915 -0.0776 753 TRP A CG 4340 C CD1 . TRP A 671 ? 0.5289 0.3006 0.4752 0.0222 0.0973 -0.0747 753 TRP A CD1 4341 C CD2 . TRP A 671 ? 0.5299 0.3156 0.4726 0.0246 0.0941 -0.0731 753 TRP A CD2 4342 N NE1 . TRP A 671 ? 0.5706 0.3505 0.5174 0.0247 0.1030 -0.0688 753 TRP A NE1 4343 C CE2 . TRP A 671 ? 0.5650 0.3538 0.5103 0.0262 0.1006 -0.0678 753 TRP A CE2 4344 C CE3 . TRP A 671 ? 0.6249 0.4175 0.5658 0.0257 0.0913 -0.0729 753 TRP A CE3 4345 C CZ2 . TRP A 671 ? 0.6197 0.4183 0.5659 0.0290 0.1031 -0.0629 753 TRP A CZ2 4346 C CZ3 . TRP A 671 ? 0.5925 0.3948 0.5352 0.0282 0.0944 -0.0678 753 TRP A CZ3 4347 C CH2 . TRP A 671 ? 0.5950 0.4004 0.5405 0.0298 0.0997 -0.0631 753 TRP A CH2 4348 N N . HIS A 672 ? 0.6160 0.3786 0.5799 0.0089 0.0746 -0.0896 754 HIS A N 4349 C CA . HIS A 672 ? 0.6968 0.4586 0.6731 0.0043 0.0769 -0.0886 754 HIS A CA 4350 C C . HIS A 672 ? 0.7503 0.5202 0.7365 0.0003 0.0729 -0.0891 754 HIS A C 4351 O O . HIS A 672 ? 0.8616 0.6386 0.8581 -0.0019 0.0786 -0.0859 754 HIS A O 4352 C CB . HIS A 672 ? 0.7031 0.4509 0.6807 0.0024 0.0730 -0.0926 754 HIS A CB 4353 C CG . HIS A 672 ? 0.8467 0.5868 0.8183 0.0057 0.0786 -0.0913 754 HIS A CG 4354 N ND1 . HIS A 672 ? 0.9124 0.6385 0.8813 0.0058 0.0740 -0.0957 754 HIS A ND1 4355 C CD2 . HIS A 672 ? 0.8731 0.6169 0.8407 0.0093 0.0878 -0.0861 754 HIS A CD2 4356 C CE1 . HIS A 672 ? 0.9174 0.6392 0.8812 0.0092 0.0807 -0.0933 754 HIS A CE1 4357 N NE2 . HIS A 672 ? 0.8461 0.5785 0.8088 0.0113 0.0891 -0.0873 754 HIS A NE2 4358 N N . TYR A 673 ? 0.6388 0.4074 0.6214 -0.0005 0.0634 -0.0933 755 TYR A N 4359 C CA . TYR A 673 ? 0.5707 0.3466 0.5617 -0.0042 0.0586 -0.0940 755 TYR A CA 4360 C C . TYR A 673 ? 0.6069 0.3964 0.5997 -0.0024 0.0633 -0.0899 755 TYR A C 4361 O O . TYR A 673 ? 0.5628 0.3606 0.5659 -0.0052 0.0634 -0.0890 755 TYR A O 4362 C CB . TYR A 673 ? 0.5600 0.3299 0.5442 -0.0047 0.0469 -0.0990 755 TYR A CB 4363 C CG . TYR A 673 ? 0.6367 0.4129 0.6286 -0.0088 0.0412 -0.0996 755 TYR A CG 4364 C CD1 . TYR A 673 ? 0.6323 0.4062 0.6353 -0.0143 0.0381 -0.1010 755 TYR A CD1 4365 C CD2 . TYR A 673 ? 0.6334 0.4180 0.6223 -0.0073 0.0390 -0.0987 755 TYR A CD2 4366 C CE1 . TYR A 673 ? 0.6712 0.4517 0.6818 -0.0180 0.0333 -0.1014 755 TYR A CE1 4367 C CE2 . TYR A 673 ? 0.6615 0.4516 0.6572 -0.0110 0.0337 -0.0992 755 TYR A CE2 4368 C CZ . TYR A 673 ? 0.6876 0.4759 0.6940 -0.0163 0.0310 -0.1005 755 TYR A CZ 4369 O OH . TYR A 673 ? 0.6431 0.4381 0.6572 -0.0200 0.0262 -0.1008 755 TYR A OH 4370 N N . LEU A 674 ? 0.6218 0.4136 0.6052 0.0024 0.0671 -0.0875 756 LEU A N 4371 C CA . LEU A 674 ? 0.5334 0.3369 0.5178 0.0046 0.0706 -0.0835 756 LEU A CA 4372 C C . LEU A 674 ? 0.5288 0.3382 0.5217 0.0043 0.0786 -0.0794 756 LEU A C 4373 O O . LEU A 674 ? 0.6592 0.4785 0.6577 0.0045 0.0793 -0.0775 756 LEU A O 4374 C CB . LEU A 674 ? 0.4263 0.2299 0.3995 0.0097 0.0731 -0.0815 756 LEU A CB 4375 C CG . LEU A 674 ? 0.4376 0.2523 0.4117 0.0125 0.0760 -0.0772 756 LEU A CG 4376 C CD1 . LEU A 674 ? 0.3898 0.2110 0.3680 0.0108 0.0697 -0.0788 756 LEU A CD1 4377 C CD2 . LEU A 674 ? 0.3262 0.1399 0.2904 0.0173 0.0795 -0.0748 756 LEU A CD2 4378 N N . HIS A 675 ? 0.4280 0.2307 0.4216 0.0041 0.0844 -0.0782 757 HIS A N 4379 C CA . HIS A 675 ? 0.3972 0.2035 0.3968 0.0046 0.0931 -0.0739 757 HIS A CA 4380 C C . HIS A 675 ? 0.6354 0.4403 0.6482 -0.0002 0.0952 -0.0751 757 HIS A C 4381 O O . HIS A 675 ? 0.8626 0.6737 0.8832 -0.0004 0.1010 -0.0725 757 HIS A O 4382 C CB . HIS A 675 ? 0.3905 0.1905 0.3827 0.0080 0.0997 -0.0707 757 HIS A CB 4383 C CG . HIS A 675 ? 0.4100 0.2130 0.3916 0.0129 0.0994 -0.0685 757 HIS A CG 4384 N ND1 . HIS A 675 ? 0.4275 0.2284 0.4015 0.0141 0.0937 -0.0714 757 HIS A ND1 4385 C CD2 . HIS A 675 ? 0.4214 0.2293 0.3994 0.0170 0.1041 -0.0636 757 HIS A CD2 4386 C CE1 . HIS A 675 ? 0.4874 0.2922 0.4547 0.0185 0.0958 -0.0681 757 HIS A CE1 4387 N NE2 . HIS A 675 ? 0.4403 0.2495 0.4102 0.0202 0.1014 -0.0635 757 HIS A NE2 4388 N N . ASP A 676 ? 0.6284 0.4249 0.6440 -0.0038 0.0904 -0.0792 758 ASP A N 4389 C CA . ASP A 676 ? 0.6698 0.4645 0.7000 -0.0088 0.0923 -0.0802 758 ASP A CA 4390 C C . ASP A 676 ? 0.6150 0.4184 0.6555 -0.0121 0.0871 -0.0825 758 ASP A C 4391 O O . ASP A 676 ? 0.5397 0.3469 0.5947 -0.0152 0.0916 -0.0819 758 ASP A O 4392 C CB . ASP A 676 ? 0.7500 0.5319 0.7803 -0.0114 0.0878 -0.0836 758 ASP A CB 4393 C CG . ASP A 676 ? 0.8300 0.6030 0.8532 -0.0085 0.0940 -0.0813 758 ASP A CG 4394 O OD1 . ASP A 676 ? 0.7406 0.5176 0.7595 -0.0048 0.1023 -0.0767 758 ASP A OD1 4395 O OD2 . ASP A 676 ? 0.8963 0.6577 0.9178 -0.0098 0.0898 -0.0843 758 ASP A OD2 4396 N N . THR A 677 ? 0.3575 0.4043 0.5483 -0.0306 0.0551 -0.1106 759 THR A N 4397 C CA . THR A 677 ? 0.3670 0.4211 0.5614 -0.0274 0.0475 -0.1130 759 THR A CA 4398 C C . THR A 677 ? 0.4324 0.4843 0.6182 -0.0252 0.0433 -0.1067 759 THR A C 4399 O O . THR A 677 ? 0.5060 0.5578 0.6886 -0.0245 0.0409 -0.1031 759 THR A O 4400 C CB . THR A 677 ? 0.3042 0.3665 0.5088 -0.0253 0.0435 -0.1226 759 THR A CB 4401 O OG1 . THR A 677 ? 0.3791 0.4432 0.5918 -0.0274 0.0477 -0.1293 759 THR A OG1 4402 C CG2 . THR A 677 ? 0.2837 0.3529 0.4916 -0.0217 0.0357 -0.1250 759 THR A CG2 4403 N N . LEU A 678 ? 0.3493 0.3994 0.5318 -0.0243 0.0429 -0.1059 760 LEU A N 4404 C CA . LEU A 678 ? 0.3306 0.3793 0.5061 -0.0221 0.0389 -0.1011 760 LEU A CA 4405 C C . LEU A 678 ? 0.3534 0.3950 0.5189 -0.0234 0.0414 -0.0922 760 LEU A C 4406 O O . LEU A 678 ? 0.4642 0.5061 0.6260 -0.0220 0.0379 -0.0892 760 LEU A O 4407 C CB . LEU A 678 ? 0.4126 0.4562 0.5795 -0.0189 0.0380 -0.1004 760 LEU A CB 4408 C CG . LEU A 678 ? 0.5480 0.5918 0.7097 -0.0123 0.0312 -0.1046 760 LEU A CG 4409 C CD1 . LEU A 678 ? 0.5966 0.6502 0.7716 -0.0123 0.0281 -0.1128 760 LEU A CD1 4410 C CD2 . LEU A 678 ? 0.5583 0.5890 0.7022 -0.0075 0.0323 -0.1030 760 LEU A CD2 4411 N N . LEU A 679 ? 0.2674 0.3025 0.4284 -0.0258 0.0473 -0.0886 761 LEU A N 4412 C CA . LEU A 679 ? 0.4409 0.4693 0.5919 -0.0264 0.0491 -0.0806 761 LEU A CA 4413 C C . LEU A 679 ? 0.5665 0.5959 0.7174 -0.0266 0.0477 -0.0789 761 LEU A C 4414 O O . LEU A 679 ? 0.6799 0.7067 0.8242 -0.0259 0.0462 -0.0738 761 LEU A O 4415 C CB . LEU A 679 ? 0.5380 0.5594 0.6848 -0.0285 0.0555 -0.0778 761 LEU A CB 4416 C CG . LEU A 679 ? 0.5682 0.5829 0.7048 -0.0281 0.0569 -0.0711 761 LEU A CG 4417 C CD1 . LEU A 679 ? 0.4529 0.4690 0.5899 -0.0268 0.0550 -0.0725 761 LEU A CD1 4418 C CD2 . LEU A 679 ? 0.6161 0.6237 0.7485 -0.0298 0.0632 -0.0687 761 LEU A CD2 4419 N N . GLN A 680 ? 0.5043 0.5373 0.6626 -0.0276 0.0485 -0.0836 762 GLN A N 4420 C CA . GLN A 680 ? 0.3992 0.4331 0.5585 -0.0281 0.0479 -0.0827 762 GLN A CA 4421 C C . GLN A 680 ? 0.3741 0.4125 0.5351 -0.0260 0.0423 -0.0841 762 GLN A C 4422 O O . GLN A 680 ? 0.4831 0.5203 0.6414 -0.0260 0.0414 -0.0813 762 GLN A O 4423 C CB . GLN A 680 ? 0.5368 0.5732 0.7041 -0.0299 0.0508 -0.0877 762 GLN A CB 4424 C CG . GLN A 680 ? 0.5918 0.6229 0.7573 -0.0322 0.0570 -0.0864 762 GLN A CG 4425 C CD . GLN A 680 ? 0.5607 0.5943 0.7346 -0.0342 0.0603 -0.0916 762 GLN A CD 4426 O OE1 . GLN A 680 ? 0.6184 0.6579 0.7996 -0.0338 0.0577 -0.0959 762 GLN A OE1 4427 N NE2 . GLN A 680 ? 0.4946 0.5235 0.6676 -0.0364 0.0663 -0.0913 762 GLN A NE2 4428 N N . ARG A 681 ? 0.3944 0.4380 0.5604 -0.0242 0.0387 -0.0888 763 ARG A N 4429 C CA . ARG A 681 ? 0.4781 0.5260 0.6459 -0.0218 0.0332 -0.0906 763 ARG A CA 4430 C C . ARG A 681 ? 0.4629 0.5069 0.6222 -0.0208 0.0318 -0.0850 763 ARG A C 4431 O O . ARG A 681 ? 0.5586 0.6033 0.7169 -0.0200 0.0294 -0.0841 763 ARG A O 4432 C CB . ARG A 681 ? 0.5956 0.6500 0.7702 -0.0194 0.0291 -0.0973 763 ARG A CB 4433 C CG . ARG A 681 ? 0.7774 0.8374 0.9619 -0.0197 0.0287 -0.1041 763 ARG A CG 4434 C CD . ARG A 681 ? 0.8661 0.9334 1.0567 -0.0161 0.0223 -0.1105 763 ARG A CD 4435 N NE . ARG A 681 ? 0.8905 0.9592 1.0810 -0.0140 0.0202 -0.1129 763 ARG A NE 4436 C CZ . ARG A 681 ? 0.9124 0.9807 1.0982 -0.0114 0.0164 -0.1112 763 ARG A CZ 4437 N NH1 . ARG A 681 ? 0.9559 1.0256 1.1424 -0.0095 0.0146 -0.1141 763 ARG A NH1 4438 N NH2 . ARG A 681 ? 0.8712 0.9376 1.0520 -0.0107 0.0145 -0.1072 763 ARG A NH2 4439 N N . TYR A 682 ? 0.4204 0.4605 0.5742 -0.0210 0.0337 -0.0817 764 TYR A N 4440 C CA . TYR A 682 ? 0.3945 0.4309 0.5405 -0.0201 0.0328 -0.0765 764 TYR A CA 4441 C C . TYR A 682 ? 0.4301 0.4619 0.5702 -0.0213 0.0348 -0.0711 764 TYR A C 4442 O O . TYR A 682 ? 0.4404 0.4707 0.5759 -0.0205 0.0332 -0.0680 764 TYR A O 4443 C CB . TYR A 682 ? 0.4717 0.5046 0.6137 -0.0202 0.0349 -0.0745 764 TYR A CB 4444 C CG . TYR A 682 ? 0.4261 0.4635 0.5739 -0.0187 0.0326 -0.0800 764 TYR A CG 4445 C CD1 . TYR A 682 ? 0.3325 0.3763 0.4860 -0.0163 0.0272 -0.0852 764 TYR A CD1 4446 C CD2 . TYR A 682 ? 0.5002 0.5352 0.6477 -0.0195 0.0358 -0.0805 764 TYR A CD2 4447 C CE1 . TYR A 682 ? 0.4557 0.5041 0.6144 -0.0142 0.0241 -0.0908 764 TYR A CE1 4448 C CE2 . TYR A 682 ? 0.5112 0.5501 0.6635 -0.0177 0.0335 -0.0861 764 TYR A CE2 4449 C CZ . TYR A 682 ? 0.4649 0.5097 0.6209 -0.0142 0.0271 -0.0908 764 TYR A CZ 4450 O OH . TYR A 682 ? 0.3868 0.4280 0.5341 -0.0082 0.0236 -0.0930 764 TYR A OH 4451 N N . ALA A 683 ? 0.4841 0.5138 0.6246 -0.0233 0.0383 -0.0704 765 ALA A N 4452 C CA . ALA A 683 ? 0.5577 0.5833 0.6931 -0.0242 0.0401 -0.0660 765 ALA A CA 4453 C C . ALA A 683 ? 0.7445 0.7729 0.8836 -0.0240 0.0381 -0.0679 765 ALA A C 4454 O O . ALA A 683 ? 0.9374 0.9630 1.0724 -0.0242 0.0386 -0.0647 765 ALA A O 4455 C CB . ALA A 683 ? 0.5088 0.5315 0.6442 -0.0262 0.0445 -0.0652 765 ALA A CB 4456 N N . HIS A 684 ? 0.7211 0.7548 0.8682 -0.0236 0.0361 -0.0735 766 HIS A N 4457 C CA . HIS A 684 ? 0.6914 0.7280 0.8431 -0.0234 0.0343 -0.0762 766 HIS A CA 4458 C C . HIS A 684 ? 0.5684 0.6067 0.7188 -0.0212 0.0303 -0.0764 766 HIS A C 4459 O O . HIS A 684 ? 0.5602 0.5979 0.7102 -0.0210 0.0298 -0.0759 766 HIS A O 4460 C CB . HIS A 684 ? 0.8552 0.8971 1.0163 -0.0237 0.0336 -0.0826 766 HIS A CB 4461 C CG . HIS A 684 ? 1.0740 1.1145 1.2379 -0.0261 0.0377 -0.0830 766 HIS A CG 4462 N ND1 . HIS A 684 ? 1.1890 1.2270 1.3511 -0.0274 0.0412 -0.0817 766 HIS A ND1 4463 C CD2 . HIS A 684 ? 1.1118 1.1528 1.2802 -0.0275 0.0394 -0.0850 766 HIS A CD2 4464 C CE1 . HIS A 684 ? 1.1898 1.2270 1.3552 -0.0294 0.0446 -0.0827 766 HIS A CE1 4465 N NE2 . HIS A 684 ? 1.1667 1.2055 1.3359 -0.0296 0.0436 -0.0846 766 HIS A NE2 4466 N N . GLU A 685 ? 0.5037 0.5441 0.6540 -0.0195 0.0278 -0.0776 767 GLU A N 4467 C CA . GLU A 685 ? 0.6026 0.6446 0.7520 -0.0172 0.0240 -0.0783 767 GLU A CA 4468 C C . GLU A 685 ? 0.6604 0.6976 0.8018 -0.0173 0.0250 -0.0726 767 GLU A C 4469 O O . GLU A 685 ? 0.7714 0.8092 0.9125 -0.0162 0.0230 -0.0726 767 GLU A O 4470 C CB . GLU A 685 ? 0.6384 0.6838 0.7900 -0.0153 0.0211 -0.0814 767 GLU A CB 4471 C CG . GLU A 685 ? 0.6996 0.7507 0.8596 -0.0145 0.0190 -0.0878 767 GLU A CG 4472 C CD . GLU A 685 ? 0.8116 0.8659 0.9735 -0.0123 0.0161 -0.0912 767 GLU A CD 4473 O OE1 . GLU A 685 ? 0.8542 0.9056 1.0112 -0.0121 0.0169 -0.0882 767 GLU A OE1 4474 O OE2 . GLU A 685 ? 0.8334 0.8932 1.0022 -0.0107 0.0131 -0.0971 767 GLU A OE2 4475 N N . ARG A 686 ? 0.5677 0.6004 0.7031 -0.0185 0.0281 -0.0680 768 ARG A N 4476 C CA . ARG A 686 ? 0.4917 0.5199 0.6193 -0.0184 0.0289 -0.0627 768 ARG A CA 4477 C C . ARG A 686 ? 0.5433 0.5673 0.6667 -0.0199 0.0319 -0.0589 768 ARG A C 4478 O O . ARG A 686 ? 0.5053 0.5253 0.6219 -0.0199 0.0329 -0.0543 768 ARG A O 4479 C CB . ARG A 686 ? 0.3707 0.3967 0.4942 -0.0182 0.0297 -0.0604 768 ARG A CB 4480 C CG . ARG A 686 ? 0.3548 0.3846 0.4824 -0.0165 0.0268 -0.0645 768 ARG A CG 4481 C CD . ARG A 686 ? 0.5051 0.5335 0.6318 -0.0168 0.0287 -0.0642 768 ARG A CD 4482 N NE . ARG A 686 ? 0.6965 0.7197 0.8155 -0.0170 0.0306 -0.0589 768 ARG A NE 4483 C CZ . ARG A 686 ? 0.6312 0.6523 0.7486 -0.0172 0.0324 -0.0582 768 ARG A CZ 4484 N NH1 . ARG A 686 ? 0.7195 0.7434 0.8428 -0.0171 0.0325 -0.0629 768 ARG A NH1 4485 N NH2 . ARG A 686 ? 0.3095 0.3257 0.4197 -0.0173 0.0342 -0.0532 768 ARG A NH2 4486 N N . ASN A 687 ? 0.5271 0.5523 0.6551 -0.0211 0.0332 -0.0611 769 ASN A N 4487 C CA . ASN A 687 ? 0.4586 0.4800 0.5837 -0.0224 0.0361 -0.0584 769 ASN A CA 4488 C C . ASN A 687 ? 0.3825 0.3994 0.5011 -0.0231 0.0386 -0.0539 769 ASN A C 4489 O O . ASN A 687 ? 0.2241 0.2373 0.3367 -0.0230 0.0395 -0.0499 769 ASN A O 4490 C CB . ASN A 687 ? 0.4953 0.5157 0.6185 -0.0220 0.0355 -0.0570 769 ASN A CB 4491 C CG . ASN A 687 ? 0.4915 0.5093 0.6148 -0.0233 0.0384 -0.0561 769 ASN A CG 4492 O OD1 . ASN A 687 ? 0.6372 0.6570 0.7670 -0.0241 0.0391 -0.0598 769 ASN A OD1 4493 N ND2 . ASN A 687 ? 0.3831 0.3965 0.4996 -0.0236 0.0402 -0.0516 769 ASN A ND2 4494 N N . GLY A 688 ? 0.4304 0.4477 0.5505 -0.0236 0.0398 -0.0551 770 GLY A N 4495 C CA . GLY A 688 ? 0.3349 0.3480 0.4497 -0.0241 0.0424 -0.0516 770 GLY A CA 4496 C C . GLY A 688 ? 0.4582 0.4702 0.5689 -0.0230 0.0414 -0.0497 770 GLY A C 4497 O O . GLY A 688 ? 0.5220 0.5351 0.6314 -0.0217 0.0388 -0.0493 770 GLY A O 4498 N N . ILE A 689 ? 0.4485 0.4579 0.5573 -0.0235 0.0439 -0.0487 771 ILE A N 4499 C CA . ILE A 689 ? 0.2941 0.3016 0.3992 -0.0227 0.0440 -0.0469 771 ILE A CA 4500 C C . ILE A 689 ? 0.2290 0.2313 0.3281 -0.0232 0.0470 -0.0431 771 ILE A C 4501 O O . ILE A 689 ? 0.3874 0.3880 0.4876 -0.0243 0.0499 -0.0434 771 ILE A O 4502 C CB . ILE A 689 ? 0.3638 0.3743 0.4749 -0.0228 0.0441 -0.0515 771 ILE A CB 4503 C CG1 . ILE A 689 ? 0.4172 0.4284 0.5337 -0.0244 0.0471 -0.0548 771 ILE A CG1 4504 C CG2 . ILE A 689 ? 0.3753 0.3911 0.4915 -0.0217 0.0402 -0.0552 771 ILE A CG2 4505 C CD1 . ILE A 689 ? 0.4919 0.5065 0.6152 -0.0245 0.0474 -0.0602 771 ILE A CD1 4506 N N . ASN A 690 ? 0.2636 0.2632 0.3567 -0.0222 0.0465 -0.0396 772 ASN A N 4507 C CA . ASN A 690 ? 0.2773 0.2721 0.3651 -0.0222 0.0492 -0.0364 772 ASN A CA 4508 C C . ASN A 690 ? 0.3622 0.3556 0.4512 -0.0224 0.0516 -0.0378 772 ASN A C 4509 O O . ASN A 690 ? 0.4405 0.4350 0.5299 -0.0217 0.0502 -0.0385 772 ASN A O 4510 C CB . ASN A 690 ? 0.2137 0.2063 0.2945 -0.0210 0.0475 -0.0319 772 ASN A CB 4511 C CG . ASN A 690 ? 0.2080 0.1960 0.2837 -0.0208 0.0500 -0.0289 772 ASN A CG 4512 O OD1 . ASN A 690 ? 0.1774 0.1636 0.2504 -0.0202 0.0504 -0.0277 772 ASN A OD1 4513 N ND2 . ASN A 690 ? 0.1487 0.1204 0.2169 -0.0172 0.0501 -0.0326 772 ASN A ND2 4514 N N . VAL A 691 ? 0.2453 0.2357 0.3349 -0.0235 0.0556 -0.0384 773 VAL A N 4515 C CA . VAL A 691 ? 0.2602 0.2486 0.3516 -0.0240 0.0590 -0.0405 773 VAL A CA 4516 C C . VAL A 691 ? 0.3713 0.3532 0.4560 -0.0237 0.0623 -0.0368 773 VAL A C 4517 O O . VAL A 691 ? 0.3902 0.3692 0.4719 -0.0239 0.0640 -0.0346 773 VAL A O 4518 C CB . VAL A 691 ? 0.2352 0.2253 0.3341 -0.0258 0.0619 -0.0456 773 VAL A CB 4519 C CG1 . VAL A 691 ? 0.2291 0.2170 0.3303 -0.0266 0.0658 -0.0486 773 VAL A CG1 4520 C CG2 . VAL A 691 ? 0.2641 0.2610 0.3699 -0.0259 0.0582 -0.0495 773 VAL A CG2 4521 N N . VAL A 692 ? 0.3592 0.3387 0.4418 -0.0232 0.0635 -0.0363 774 VAL A N 4522 C CA . VAL A 692 ? 0.3732 0.3460 0.4499 -0.0228 0.0675 -0.0334 774 VAL A CA 4523 C C . VAL A 692 ? 0.3132 0.2828 0.3922 -0.0238 0.0724 -0.0365 774 VAL A C 4524 O O . VAL A 692 ? 0.4085 0.3797 0.4897 -0.0237 0.0717 -0.0384 774 VAL A O 4525 C CB . VAL A 692 ? 0.4469 0.4184 0.5171 -0.0210 0.0649 -0.0290 774 VAL A CB 4526 C CG1 . VAL A 692 ? 0.3515 0.3162 0.4160 -0.0203 0.0690 -0.0261 774 VAL A CG1 4527 C CG2 . VAL A 692 ? 0.5060 0.4806 0.5743 -0.0202 0.0605 -0.0265 774 VAL A CG2 4528 N N . SER A 693 ? 0.2789 0.2433 0.3572 -0.0249 0.0779 -0.0372 775 SER A N 4529 C CA . SER A 693 ? 0.2949 0.2548 0.3748 -0.0262 0.0838 -0.0406 775 SER A CA 4530 C C . SER A 693 ? 0.3587 0.3087 0.4306 -0.0257 0.0898 -0.0372 775 SER A C 4531 O O . SER A 693 ? 0.4627 0.4104 0.5300 -0.0246 0.0895 -0.0335 775 SER A O 4532 C CB . SER A 693 ? 0.3422 0.3053 0.4307 -0.0286 0.0859 -0.0465 775 SER A CB 4533 O OG . SER A 693 ? 0.5714 0.5438 0.6674 -0.0286 0.0802 -0.0498 775 SER A OG 4534 N N . GLY A 694 ? 0.3561 0.3001 0.4215 -0.0231 0.0915 -0.0389 776 GLY A N 4535 C CA . GLY A 694 ? 0.4536 0.3873 0.5097 -0.0215 0.0966 -0.0361 776 GLY A CA 4536 C C . GLY A 694 ? 0.4919 0.4192 0.5380 -0.0164 0.0954 -0.0387 776 GLY A C 4537 O O . GLY A 694 ? 0.4341 0.3648 0.4796 -0.0137 0.0901 -0.0419 776 GLY A O 4538 N N . PRO A 695 ? 0.5811 0.4984 0.6188 -0.0149 0.1004 -0.0372 777 PRO A N 4539 C CA . PRO A 695 ? 0.5471 0.4563 0.5738 -0.0100 0.1003 -0.0395 777 PRO A CA 4540 C C . PRO A 695 ? 0.5010 0.4083 0.5216 -0.0074 0.0989 -0.0357 777 PRO A C 4541 O O . PRO A 695 ? 0.5203 0.4293 0.5433 -0.0095 0.1002 -0.0303 777 PRO A O 4542 C CB . PRO A 695 ? 0.5217 0.4210 0.5427 -0.0101 0.1071 -0.0384 777 PRO A CB 4543 C CG . PRO A 695 ? 0.5745 0.4754 0.6005 -0.0139 0.1109 -0.0326 777 PRO A CG 4544 C CD . PRO A 695 ? 0.5856 0.4980 0.6231 -0.0175 0.1069 -0.0333 777 PRO A CD 4545 N N . VAL A 696 ? 0.4747 0.3778 0.4871 -0.0027 0.0965 -0.0386 778 VAL A N 4546 C CA . VAL A 696 ? 0.4746 0.3749 0.4805 0.0000 0.0957 -0.0353 778 VAL A CA 4547 C C . VAL A 696 ? 0.5226 0.4112 0.5163 0.0040 0.0994 -0.0356 778 VAL A C 4548 O O . VAL A 696 ? 0.4798 0.3641 0.4684 0.0068 0.0983 -0.0411 778 VAL A O 4549 C CB . VAL A 696 ? 0.4376 0.3442 0.4447 0.0024 0.0888 -0.0381 778 VAL A CB 4550 C CG1 . VAL A 696 ? 0.3792 0.2823 0.3792 0.0051 0.0887 -0.0346 778 VAL A CG1 4551 C CG2 . VAL A 696 ? 0.4455 0.3633 0.4644 -0.0014 0.0854 -0.0377 778 VAL A CG2 4552 N N . PHE A 697 ? 0.5690 0.4521 0.5580 0.0043 0.1038 -0.0300 779 PHE A N 4553 C CA . PHE A 697 ? 0.5831 0.4546 0.5605 0.0079 0.1081 -0.0295 779 PHE A CA 4554 C C . PHE A 697 ? 0.5745 0.4434 0.5458 0.0106 0.1079 -0.0262 779 PHE A C 4555 O O . PHE A 697 ? 0.6336 0.5015 0.6056 0.0093 0.1112 -0.0203 779 PHE A O 4556 C CB . PHE A 697 ? 0.6769 0.5417 0.6528 0.0064 0.1153 -0.0256 779 PHE A CB 4557 C CG . PHE A 697 ? 0.7160 0.5826 0.6976 0.0034 0.1165 -0.0281 779 PHE A CG 4558 C CD1 . PHE A 697 ? 0.6787 0.5393 0.6555 0.0051 0.1176 -0.0335 779 PHE A CD1 4559 C CD2 . PHE A 697 ? 0.7775 0.6512 0.7690 -0.0010 0.1168 -0.0251 779 PHE A CD2 4560 C CE1 . PHE A 697 ? 0.6949 0.5567 0.6771 0.0022 0.1193 -0.0356 779 PHE A CE1 4561 C CE2 . PHE A 697 ? 0.8171 0.6921 0.8137 -0.0037 0.1185 -0.0271 779 PHE A CE2 4562 C CZ . PHE A 697 ? 0.7753 0.6445 0.7675 -0.0022 0.1199 -0.0323 779 PHE A CZ 4563 N N . ASP A 698 ? 0.5415 0.4090 0.5070 0.0144 0.1040 -0.0302 780 ASP A N 4564 C CA . ASP A 698 ? 0.4777 0.3415 0.4362 0.0173 0.1044 -0.0273 780 ASP A CA 4565 C C . ASP A 698 ? 0.5231 0.3772 0.4695 0.0223 0.1050 -0.0312 780 ASP A C 4566 O O . ASP A 698 ? 0.5615 0.4173 0.5052 0.0252 0.0997 -0.0358 780 ASP A O 4567 C CB . ASP A 698 ? 0.4211 0.2941 0.3851 0.0169 0.0982 -0.0275 780 ASP A CB 4568 C CG . ASP A 698 ? 0.5088 0.3782 0.4668 0.0190 0.0996 -0.0232 780 ASP A CG 4569 O OD1 . ASP A 698 ? 0.4033 0.2660 0.3573 0.0187 0.1057 -0.0180 780 ASP A OD1 4570 O OD2 . ASP A 698 ? 0.5569 0.4298 0.5141 0.0210 0.0947 -0.0250 780 ASP A OD2 4571 N N . PHE A 699 ? 0.3875 0.2310 0.3261 0.0235 0.1114 -0.0296 781 PHE A N 4572 C CA . PHE A 699 ? 0.4550 0.2878 0.3810 0.0281 0.1128 -0.0334 781 PHE A CA 4573 C C . PHE A 699 ? 0.4304 0.2579 0.3476 0.0315 0.1138 -0.0305 781 PHE A C 4574 O O . PHE A 699 ? 0.4088 0.2295 0.3159 0.0356 0.1128 -0.0344 781 PHE A O 4575 C CB . PHE A 699 ? 0.5171 0.3397 0.4374 0.0283 0.1199 -0.0325 781 PHE A CB 4576 C CG . PHE A 699 ? 0.4517 0.2777 0.3793 0.0251 0.1197 -0.0354 781 PHE A CG 4577 C CD1 . PHE A 699 ? 0.5092 0.3343 0.4353 0.0261 0.1164 -0.0431 781 PHE A CD1 4578 C CD2 . PHE A 699 ? 0.4426 0.2725 0.3784 0.0212 0.1230 -0.0305 781 PHE A CD2 4579 C CE1 . PHE A 699 ? 0.5384 0.3661 0.4712 0.0230 0.1168 -0.0456 781 PHE A CE1 4580 C CE2 . PHE A 699 ? 0.5064 0.3389 0.4485 0.0182 0.1234 -0.0328 781 PHE A CE2 4581 C CZ . PHE A 699 ? 0.5444 0.3757 0.4850 0.0190 0.1206 -0.0402 781 PHE A CZ 4582 N N . ASP A 700 ? 0.3894 0.2196 0.3101 0.0298 0.1160 -0.0238 782 ASP A N 4583 C CA . ASP A 700 ? 0.4868 0.3120 0.3999 0.0327 0.1176 -0.0202 782 ASP A CA 4584 C C . ASP A 700 ? 0.5043 0.3376 0.4207 0.0330 0.1108 -0.0218 782 ASP A C 4585 O O . ASP A 700 ? 0.4862 0.3166 0.3975 0.0349 0.1116 -0.0186 782 ASP A O 4586 C CB . ASP A 700 ? 0.5020 0.3248 0.4167 0.0310 0.1238 -0.0124 782 ASP A CB 4587 C CG . ASP A 700 ? 0.6523 0.4860 0.5804 0.0260 0.1219 -0.0096 782 ASP A CG 4588 O OD1 . ASP A 700 ? 0.7797 0.6212 0.7156 0.0235 0.1176 -0.0133 782 ASP A OD1 4589 O OD2 . ASP A 700 ? 0.6632 0.4975 0.5942 0.0245 0.1249 -0.0038 782 ASP A OD2 4590 N N . TYR A 701 ? 0.5207 0.3636 0.4456 0.0315 0.1043 -0.0268 783 TYR A N 4591 C CA . TYR A 701 ? 0.5787 0.4300 0.5076 0.0322 0.0971 -0.0295 783 TYR A CA 4592 C C . TYR A 701 ? 0.3930 0.2468 0.3232 0.0314 0.0975 -0.0237 783 TYR A C 4593 O O . TYR A 701 ? 0.3625 0.2158 0.2881 0.0344 0.0946 -0.0246 783 TYR A O 4594 C CB . TYR A 701 ? 0.6990 0.5463 0.6195 0.0371 0.0930 -0.0361 783 TYR A CB 4595 C CG . TYR A 701 ? 0.8025 0.6364 0.7081 0.0411 0.0979 -0.0348 783 TYR A CG 4596 C CD1 . TYR A 701 ? 0.9175 0.7475 0.8162 0.0435 0.0989 -0.0310 783 TYR A CD1 4597 C CD2 . TYR A 701 ? 0.7191 0.5434 0.6169 0.0426 0.1018 -0.0373 783 TYR A CD2 4598 C CE1 . TYR A 701 ? 0.9691 0.7861 0.8535 0.0473 0.1038 -0.0294 783 TYR A CE1 4599 C CE2 . TYR A 701 ? 0.7703 0.5815 0.6535 0.0465 0.1065 -0.0360 783 TYR A CE2 4600 C CZ . TYR A 701 ? 0.9273 0.7350 0.8039 0.0489 0.1076 -0.0320 783 TYR A CZ 4601 O OH . TYR A 701 ? 0.9976 0.7916 0.8592 0.0530 0.1127 -0.0304 783 TYR A OH 4602 N N . ASP A 702 ? 0.3410 0.1973 0.2776 0.0275 0.1012 -0.0180 784 ASP A N 4603 C CA . ASP A 702 ? 0.4465 0.3051 0.3853 0.0262 0.1019 -0.0127 784 ASP A CA 4604 C C . ASP A 702 ? 0.4675 0.3383 0.4184 0.0224 0.0967 -0.0131 784 ASP A C 4605 O O . ASP A 702 ? 0.4993 0.3731 0.4527 0.0212 0.0962 -0.0098 784 ASP A O 4606 C CB . ASP A 702 ? 0.3493 0.2017 0.2867 0.0246 0.1094 -0.0062 784 ASP A CB 4607 C CG . ASP A 702 ? 0.4343 0.2899 0.3797 0.0207 0.1115 -0.0052 784 ASP A CG 4608 O OD1 . ASP A 702 ? 0.4948 0.3540 0.4437 0.0200 0.1086 -0.0097 784 ASP A OD1 4609 O OD2 . ASP A 702 ? 0.5330 0.3873 0.4813 0.0186 0.1160 0.0000 784 ASP A OD2 4610 N N . GLY A 703 ? 0.3865 0.2637 0.3445 0.0206 0.0933 -0.0172 785 GLY A N 4611 C CA . GLY A 703 ? 0.4309 0.3193 0.4001 0.0172 0.0886 -0.0180 785 GLY A CA 4612 C C . GLY A 703 ? 0.5776 0.4690 0.5547 0.0121 0.0919 -0.0137 785 GLY A C 4613 O O . GLY A 703 ? 0.6221 0.5221 0.6084 0.0089 0.0888 -0.0138 785 GLY A O 4614 N N . ARG A 704 ? 0.5866 0.4706 0.5599 0.0117 0.0983 -0.0099 786 ARG A N 4615 C CA . ARG A 704 ? 0.5815 0.4672 0.5613 0.0075 0.1017 -0.0059 786 ARG A CA 4616 C C . ARG A 704 ? 0.7025 0.5835 0.6810 0.0073 0.1055 -0.0067 786 ARG A C 4617 O O . ARG A 704 ? 0.8359 0.7104 0.8069 0.0106 0.1069 -0.0094 786 ARG A O 4618 C CB . ARG A 704 ? 0.5096 0.3910 0.4873 0.0072 0.1060 -0.0001 786 ARG A CB 4619 C CG . ARG A 704 ? 0.5520 0.4364 0.5297 0.0077 0.1031 0.0009 786 ARG A CG 4620 C CD . ARG A 704 ? 0.7395 0.6270 0.7226 0.0052 0.1040 0.0051 786 ARG A CD 4621 N NE . ARG A 704 ? 0.8349 0.7168 0.8138 0.0075 0.1076 0.0078 786 ARG A NE 4622 C CZ . ARG A 704 ? 0.8956 0.7828 0.8792 0.0075 0.1052 0.0091 786 ARG A CZ 4623 N NH1 . ARG A 704 ? 0.9320 0.8295 0.9235 0.0054 0.0989 0.0080 786 ARG A NH1 4624 N NH2 . ARG A 704 ? 0.9410 0.8225 0.9212 0.0097 0.1094 0.0115 786 ARG A NH2 4625 N N . TYR A 705 ? 0.6767 0.5607 0.6623 0.0035 0.1073 -0.0045 787 TYR A N 4626 C CA . TYR A 705 ? 0.6264 0.5061 0.6112 0.0031 0.1111 -0.0051 787 TYR A CA 4627 C C . TYR A 705 ? 0.6693 0.5378 0.6452 0.0060 0.1176 -0.0023 787 TYR A C 4628 O O . TYR A 705 ? 0.6542 0.5195 0.6277 0.0068 0.1203 0.0020 787 TYR A O 4629 C CB . TYR A 705 ? 0.4992 0.3842 0.4930 -0.0013 0.1116 -0.0031 787 TYR A CB 4630 C CG . TYR A 705 ? 0.4579 0.3464 0.4539 -0.0007 0.1097 0.0004 787 TYR A CG 4631 C CD1 . TYR A 705 ? 0.5474 0.4447 0.5482 -0.0012 0.1033 0.0005 787 TYR A CD1 4632 C CD2 . TYR A 705 ? 0.3899 0.2733 0.3830 0.0011 0.1133 0.0027 787 TYR A CD2 4633 C CE1 . TYR A 705 ? 0.5466 0.4478 0.5494 -0.0003 0.1006 0.0026 787 TYR A CE1 4634 C CE2 . TYR A 705 ? 0.4555 0.3432 0.4513 0.0022 0.1106 0.0048 787 TYR A CE2 4635 C CZ . TYR A 705 ? 0.5130 0.4095 0.5136 0.0013 0.1043 0.0046 787 TYR A CZ 4636 O OH . TYR A 705 ? 0.4307 0.3308 0.4339 0.0021 0.1021 0.0065 787 TYR A OH 4637 N N . ASP A 706 ? 0.6436 0.5060 0.6146 0.0077 0.1204 -0.0048 788 ASP A N 4638 C CA . ASP A 706 ? 0.5855 0.4364 0.5472 0.0110 0.1268 -0.0027 788 ASP A CA 4639 C C . ASP A 706 ? 0.5665 0.4147 0.5308 0.0096 0.1322 0.0021 788 ASP A C 4640 O O . ASP A 706 ? 0.5573 0.4106 0.5290 0.0063 0.1314 0.0023 788 ASP A O 4641 C CB . ASP A 706 ? 0.5579 0.4024 0.5124 0.0137 0.1275 -0.0078 788 ASP A CB 4642 C CG . ASP A 706 ? 0.5875 0.4340 0.5387 0.0159 0.1220 -0.0130 788 ASP A CG 4643 O OD1 . ASP A 706 ? 0.6700 0.5214 0.6228 0.0161 0.1184 -0.0120 788 ASP A OD1 4644 O OD2 . ASP A 706 ? 0.5411 0.3841 0.4880 0.0177 0.1212 -0.0184 788 ASP A OD2 4645 N N . SER A 707 ? 0.6802 0.5199 0.6381 0.0124 0.1377 0.0058 789 SER A N 4646 C CA . SER A 707 ? 0.7250 0.5609 0.6844 0.0122 0.1431 0.0102 789 SER A CA 4647 C C . SER A 707 ? 0.7457 0.5747 0.7007 0.0136 0.1471 0.0082 789 SER A C 4648 O O . SER A 707 ? 0.6997 0.5257 0.6495 0.0150 0.1461 0.0035 789 SER A O 4649 C CB . SER A 707 ? 0.8173 0.6485 0.7726 0.0157 0.1463 0.0138 789 SER A CB 4650 O OG . SER A 707 ? 0.8138 0.6335 0.7575 0.0195 0.1511 0.0134 789 SER A OG 4651 N N . LEU A 708 ? 0.8308 0.6572 0.7878 0.0134 0.1516 0.0116 790 LEU A N 4652 C CA . LEU A 708 ? 0.8456 0.6650 0.7986 0.0147 0.1560 0.0102 790 LEU A CA 4653 C C . LEU A 708 ? 0.7389 0.5465 0.6801 0.0195 0.1606 0.0089 790 LEU A C 4654 O O . LEU A 708 ? 0.6959 0.4976 0.6317 0.0207 0.1624 0.0052 790 LEU A O 4655 C CB . LEU A 708 ? 0.9870 0.8076 0.9446 0.0150 0.1581 0.0135 790 LEU A CB 4656 C CG . LEU A 708 ? 1.0541 0.8698 1.0108 0.0147 0.1625 0.0132 790 LEU A CG 4657 C CD1 . LEU A 708 ? 1.1171 0.9187 1.0627 0.0187 0.1700 0.0128 790 LEU A CD1 4658 C CD2 . LEU A 708 ? 1.0058 0.8271 0.9673 0.0104 0.1589 0.0093 790 LEU A CD2 4659 N N . GLU A 709 ? 0.7680 0.5719 0.7049 0.0223 0.1626 0.0118 791 GLU A N 4660 C CA . GLU A 709 ? 0.8710 0.6631 0.7961 0.0272 0.1675 0.0113 791 GLU A CA 4661 C C . GLU A 709 ? 0.9407 0.7305 0.8589 0.0283 0.1641 0.0052 791 GLU A C 4662 O O . GLU A 709 ? 1.0163 0.7970 0.9260 0.0309 0.1672 0.0019 791 GLU A O 4663 C CB . GLU A 709 ? 0.8180 0.6073 0.7410 0.0297 0.1705 0.0161 791 GLU A CB 4664 N N . ILE A 710 ? 0.8477 0.6457 0.7696 0.0264 0.1576 0.0033 792 ILE A N 4665 C CA . ILE A 710 ? 0.7874 0.5847 0.7038 0.0277 0.1533 -0.0027 792 ILE A CA 4666 C C . ILE A 710 ? 0.7515 0.5530 0.6720 0.0252 0.1497 -0.0083 792 ILE A C 4667 O O . ILE A 710 ? 0.7243 0.5219 0.6386 0.0270 0.1479 -0.0141 792 ILE A O 4668 C CB . ILE A 710 ? 0.8393 0.6437 0.7580 0.0272 0.1478 -0.0025 792 ILE A CB 4669 C CG1 . ILE A 710 ? 0.9149 0.7212 0.8304 0.0281 0.1418 -0.0093 792 ILE A CG1 4670 C CG2 . ILE A 710 ? 0.7684 0.5847 0.6998 0.0226 0.1442 0.0004 792 ILE A CG2 4671 C CD1 . ILE A 710 ? 0.9272 0.7400 0.8444 0.0281 0.1364 -0.0093 792 ILE A CD1 4672 N N . LEU A 711 ? 0.8347 0.6434 0.7653 0.0212 0.1490 -0.0066 793 LEU A N 4673 C CA . LEU A 711 ? 0.8815 0.6938 0.8166 0.0187 0.1467 -0.0113 793 LEU A CA 4674 C C . LEU A 711 ? 0.9687 0.7695 0.8954 0.0211 0.1520 -0.0139 793 LEU A C 4675 O O . LEU A 711 ? 0.9921 0.7917 0.9172 0.0209 0.1500 -0.0199 793 LEU A O 4676 C CB . LEU A 711 ? 0.7427 0.5640 0.6895 0.0142 0.1458 -0.0083 793 LEU A CB 4677 C CG . LEU A 711 ? 0.6976 0.5318 0.6543 0.0107 0.1389 -0.0085 793 LEU A CG 4678 C CD1 . LEU A 711 ? 0.6853 0.5264 0.6520 0.0066 0.1389 -0.0055 793 LEU A CD1 4679 C CD2 . LEU A 711 ? 0.7174 0.5561 0.6751 0.0105 0.1331 -0.0153 793 LEU A CD2 4680 N N . LYS A 712 ? 0.9489 0.7409 0.8704 0.0234 0.1589 -0.0094 794 LYS A N 4681 C CA . LYS A 712 ? 0.8651 0.6449 0.7777 0.0262 0.1649 -0.0112 794 LYS A CA 4682 C C . LYS A 712 ? 0.8218 0.5919 0.7219 0.0303 0.1654 -0.0157 794 LYS A C 4683 O O . LYS A 712 ? 0.8671 0.6278 0.7596 0.0320 0.1682 -0.0199 794 LYS A O 4684 C CB . LYS A 712 ? 0.7946 0.5682 0.7056 0.0281 0.1722 -0.0049 794 LYS A CB 4685 N N . GLN A 713 ? 0.7610 0.5327 0.6584 0.0320 0.1627 -0.0149 795 GLN A N 4686 C CA . GLN A 713 ? 0.7726 0.5348 0.6574 0.0362 0.1631 -0.0188 795 GLN A CA 4687 C C . GLN A 713 ? 0.8192 0.5848 0.7039 0.0353 0.1563 -0.0269 795 GLN A C 4688 O O . GLN A 713 ? 0.8355 0.5919 0.7094 0.0384 0.1567 -0.0322 795 GLN A O 4689 C CB . GLN A 713 ? 0.8060 0.5682 0.6875 0.0385 0.1630 -0.0150 795 GLN A CB 4690 C CG . GLN A 713 ? 0.8306 0.5889 0.7119 0.0400 0.1697 -0.0074 795 GLN A CG 4691 C CD . GLN A 713 ? 0.8277 0.5860 0.7062 0.0420 0.1697 -0.0038 795 GLN A CD 4692 O OE1 . GLN A 713 ? 0.7708 0.5302 0.6454 0.0429 0.1652 -0.0069 795 GLN A OE1 4693 N NE2 . GLN A 713 ? 0.7759 0.5330 0.6568 0.0428 0.1747 0.0028 795 GLN A NE2 4694 N N . ASN A 714 ? 0.8543 0.6331 0.7510 0.0313 0.1502 -0.0280 796 ASN A N 4695 C CA . ASN A 714 ? 0.8719 0.6554 0.7703 0.0306 0.1433 -0.0357 796 ASN A CA 4696 C C . ASN A 714 ? 0.8701 0.6556 0.7744 0.0275 0.1431 -0.0395 796 ASN A C 4697 O O . ASN A 714 ? 0.8840 0.6756 0.7930 0.0261 0.1372 -0.0454 796 ASN A O 4698 C CB . ASN A 714 ? 0.7178 0.5144 0.6249 0.0289 0.1361 -0.0353 796 ASN A CB 4699 C CG . ASN A 714 ? 0.6614 0.4555 0.5620 0.0320 0.1360 -0.0322 796 ASN A CG 4700 O OD1 . ASN A 714 ? 0.5601 0.3509 0.4532 0.0352 0.1328 -0.0366 796 ASN A OD1 4701 N ND2 . ASN A 714 ? 0.6239 0.4192 0.5272 0.0312 0.1396 -0.0248 796 ASN A ND2 4702 N N . SER A 715 ? 0.8399 0.6197 0.7438 0.0267 0.1497 -0.0361 797 SER A N 4703 C CA . SER A 715 ? 0.8721 0.6523 0.7808 0.0238 0.1505 -0.0393 797 SER A CA 4704 C C . SER A 715 ? 0.9395 0.7074 0.8372 0.0263 0.1522 -0.0462 797 SER A C 4705 O O . SER A 715 ? 0.9719 0.7272 0.8599 0.0289 0.1589 -0.0450 797 SER A O 4706 C CB . SER A 715 ? 0.8801 0.6593 0.7929 0.0220 0.1568 -0.0329 797 SER A CB 4707 O OG . SER A 715 ? 1.0424 0.8095 0.9450 0.0258 0.1637 -0.0293 797 SER A OG 4708 N N . ARG A 716 ? 0.8961 0.6674 0.7952 0.0257 0.1461 -0.0538 798 ARG A N 4709 C CA . ARG A 716 ? 0.8600 0.6200 0.7491 0.0277 0.1465 -0.0616 798 ARG A CA 4710 C C . ARG A 716 ? 0.8579 0.6119 0.7477 0.0254 0.1515 -0.0629 798 ARG A C 4711 O O . ARG A 716 ? 0.9600 0.7208 0.8598 0.0219 0.1534 -0.0586 798 ARG A O 4712 C CB . ARG A 716 ? 0.9552 0.7213 0.8468 0.0276 0.1378 -0.0697 798 ARG A CB 4713 C CG . ARG A 716 ? 1.1272 0.8966 1.0153 0.0307 0.1326 -0.0703 798 ARG A CG 4714 C CD . ARG A 716 ? 1.2207 0.9831 1.0994 0.0337 0.1282 -0.0799 798 ARG A CD 4715 N NE . ARG A 716 ? 1.2169 0.9845 1.1030 0.0312 0.1229 -0.0870 798 ARG A NE 4716 C CZ . ARG A 716 ? 1.2369 1.0088 1.1239 0.0325 0.1147 -0.0946 798 ARG A CZ 4717 N NH1 . ARG A 716 ? 1.2885 1.0604 1.1694 0.0362 0.1109 -0.0958 798 ARG A NH1 4718 N NH2 . ARG A 716 ? 1.2010 0.9771 1.0949 0.0301 0.1105 -0.1007 798 ARG A NH2 4719 N N . VAL A 717 ? 0.8235 0.5640 0.7021 0.0275 0.1537 -0.0690 799 VAL A N 4720 C CA . VAL A 717 ? 0.7265 0.4600 0.6046 0.0254 0.1582 -0.0714 799 VAL A CA 4721 C C . VAL A 717 ? 0.7145 0.4468 0.5919 0.0244 0.1525 -0.0816 799 VAL A C 4722 O O . VAL A 717 ? 0.8358 0.5612 0.7033 0.0274 0.1493 -0.0879 799 VAL A O 4723 C CB . VAL A 717 ? 0.8044 0.5208 0.6693 0.0286 0.1670 -0.0694 799 VAL A CB 4724 C CG1 . VAL A 717 ? 0.9176 0.6230 0.7678 0.0335 0.1668 -0.0729 799 VAL A CG1 4725 C CG2 . VAL A 717 ? 0.6101 0.3176 0.4730 0.0268 0.1710 -0.0736 799 VAL A CG2 4726 N N . ILE A 718 ? 0.5698 0.3089 0.4577 0.0201 0.1513 -0.0835 800 ILE A N 4727 C CA . ILE A 718 ? 0.5928 0.3316 0.4818 0.0185 0.1459 -0.0931 800 ILE A CA 4728 C C . ILE A 718 ? 0.6768 0.4122 0.5700 0.0146 0.1503 -0.0945 800 ILE A C 4729 O O . ILE A 718 ? 0.6694 0.4114 0.5718 0.0117 0.1542 -0.0879 800 ILE A O 4730 C CB . ILE A 718 ? 0.8327 0.5877 0.7330 0.0173 0.1369 -0.0950 800 ILE A CB 4731 C CG1 . ILE A 718 ? 0.9474 0.7026 0.8503 0.0155 0.1314 -0.1046 800 ILE A CG1 4732 C CG2 . ILE A 718 ? 0.7681 0.5375 0.6825 0.0140 0.1378 -0.0867 800 ILE A CG2 4733 C CD1 . ILE A 718 ? 0.9471 0.7175 0.8611 0.0146 0.1229 -0.1067 800 ILE A CD1 4734 N N . ARG A 719 ? 0.7854 0.5098 0.6713 0.0145 0.1496 -0.1032 801 ARG A N 4735 C CA . ARG A 719 ? 0.8581 0.5772 0.7466 0.0107 0.1537 -0.1057 801 ARG A CA 4736 C C . ARG A 719 ? 0.8756 0.5861 0.7600 0.0110 0.1637 -0.0987 801 ARG A C 4737 O O . ARG A 719 ? 0.7888 0.5019 0.6808 0.0075 0.1680 -0.0958 801 ARG A O 4738 C CB . ARG A 719 ? 0.9451 0.6796 0.8501 0.0059 0.1505 -0.1054 801 ARG A CB 4739 C CG . ARG A 719 ? 1.0459 0.7857 0.9550 0.0047 0.1418 -0.1143 801 ARG A CG 4740 C CD . ARG A 719 ? 1.1444 0.8968 1.0693 -0.0005 0.1418 -0.1130 801 ARG A CD 4741 N NE . ARG A 719 ? 1.1383 0.9084 1.0750 -0.0009 0.1363 -0.1094 801 ARG A NE 4742 C CZ . ARG A 719 ? 1.1266 0.9079 1.0741 -0.0034 0.1306 -0.1133 801 ARG A CZ 4743 N NH1 . ARG A 719 ? 1.1677 0.9447 1.1162 -0.0060 0.1295 -0.1210 801 ARG A NH1 4744 N NH2 . ARG A 719 ? 1.0878 0.8841 1.0449 -0.0033 0.1262 -0.1094 801 ARG A NH2 4745 N N . SER A 720 ? 0.9535 0.6540 0.8260 0.0155 0.1674 -0.0958 802 SER A N 4746 C CA . SER A 720 ? 1.0387 0.7289 0.9051 0.0171 0.1768 -0.0895 802 SER A CA 4747 C C . SER A 720 ? 0.9547 0.6566 0.8319 0.0158 0.1798 -0.0792 802 SER A C 4748 O O . SER A 720 ? 0.9256 0.6211 0.8005 0.0164 0.1873 -0.0738 802 SER A O 4749 C CB . SER A 720 ? 1.0561 0.7333 0.9179 0.0152 0.1820 -0.0940 802 SER A CB 4750 O OG . SER A 720 ? 1.0001 0.6670 0.8528 0.0156 0.1783 -0.1043 802 SER A OG 4751 N N . GLN A 721 ? 0.8381 0.5565 0.7266 0.0141 0.1737 -0.0767 803 GLN A N 4752 C CA . GLN A 721 ? 0.8416 0.5712 0.7401 0.0126 0.1754 -0.0675 803 GLN A CA 4753 C C . GLN A 721 ? 0.9053 0.6448 0.8065 0.0143 0.1705 -0.0637 803 GLN A C 4754 O O . GLN A 721 ? 1.0466 0.7899 0.9471 0.0152 0.1638 -0.0687 803 GLN A O 4755 C CB . GLN A 721 ? 0.8419 0.5831 0.7545 0.0072 0.1739 -0.0674 803 GLN A CB 4756 C CG . GLN A 721 ? 0.8670 0.5992 0.7782 0.0052 0.1801 -0.0692 803 GLN A CG 4757 C CD . GLN A 721 ? 0.8889 0.6136 0.7961 0.0068 0.1884 -0.0616 803 GLN A CD 4758 O OE1 . GLN A 721 ? 0.8427 0.5725 0.7519 0.0084 0.1891 -0.0543 803 GLN A OE1 4759 N NE2 . GLN A 721 ? 0.8986 0.6109 0.8000 0.0066 0.1948 -0.0635 803 GLN A NE2 4760 N N . GLU A 722 ? 0.7883 0.5313 0.6923 0.0150 0.1736 -0.0552 804 GLU A N 4761 C CA . GLU A 722 ? 0.8100 0.5615 0.7164 0.0164 0.1696 -0.0510 804 GLU A CA 4762 C C . GLU A 722 ? 0.8976 0.6662 0.8186 0.0122 0.1634 -0.0500 804 GLU A C 4763 O O . GLU A 722 ? 0.9078 0.6826 0.8379 0.0087 0.1651 -0.0467 804 GLU A O 4764 C CB . GLU A 722 ? 0.4289 0.1765 0.3322 0.0188 0.1755 -0.0426 804 GLU A CB 4765 N N . ILE A 723 ? 0.9235 0.6993 0.8461 0.0129 0.1563 -0.0530 805 ILE A N 4766 C CA . ILE A 723 ? 0.8577 0.6493 0.7934 0.0095 0.1500 -0.0528 805 ILE A CA 4767 C C . ILE A 723 ? 0.8675 0.6663 0.8042 0.0112 0.1452 -0.0499 805 ILE A C 4768 O O . ILE A 723 ? 0.8882 0.6818 0.8161 0.0150 0.1431 -0.0527 805 ILE A O 4769 C CB . ILE A 723 ? 0.9177 0.7128 0.8572 0.0079 0.1448 -0.0613 805 ILE A CB 4770 C CG1 . ILE A 723 ? 1.0874 0.8809 1.0317 0.0042 0.1489 -0.0627 805 ILE A CG1 4771 C CG2 . ILE A 723 ? 0.9203 0.7306 0.8705 0.0063 0.1371 -0.0618 805 ILE A CG2 4772 C CD1 . ILE A 723 ? 1.1770 0.9769 1.1285 0.0016 0.1439 -0.0699 805 ILE A CD1 4773 N N . LEU A 724 ? 0.8203 0.6303 0.7672 0.0085 0.1436 -0.0444 806 LEU A N 4774 C CA . LEU A 724 ? 0.6010 0.4187 0.5501 0.0095 0.1386 -0.0422 806 LEU A CA 4775 C C . LEU A 724 ? 0.5791 0.4086 0.5374 0.0075 0.1311 -0.0467 806 LEU A C 4776 O O . LEU A 724 ? 0.6467 0.4855 0.6160 0.0034 0.1299 -0.0453 806 LEU A O 4777 C CB . LEU A 724 ? 0.4412 0.2633 0.3953 0.0079 0.1409 -0.0338 806 LEU A CB 4778 C CG . LEU A 724 ? 0.4536 0.2823 0.4093 0.0089 0.1364 -0.0310 806 LEU A CG 4779 C CD1 . LEU A 724 ? 0.4421 0.2617 0.3857 0.0137 0.1373 -0.0319 806 LEU A CD1 4780 C CD2 . LEU A 724 ? 0.5648 0.3980 0.5262 0.0067 0.1384 -0.0235 806 LEU A CD2 4781 N N . ILE A 725 ? 0.5672 0.3958 0.5205 0.0105 0.1260 -0.0524 807 ILE A N 4782 C CA . ILE A 725 ? 0.6728 0.5114 0.6337 0.0096 0.1186 -0.0576 807 ILE A CA 4783 C C . ILE A 725 ? 0.7088 0.5569 0.6738 0.0104 0.1132 -0.0549 807 ILE A C 4784 O O . ILE A 725 ? 0.8112 0.6551 0.7685 0.0137 0.1131 -0.0530 807 ILE A O 4785 C CB . ILE A 725 ? 0.7909 0.6231 0.7444 0.0127 0.1154 -0.0665 807 ILE A CB 4786 C CG1 . ILE A 725 ? 0.8541 0.6965 0.8144 0.0129 0.1070 -0.0717 807 ILE A CG1 4787 C CG2 . ILE A 725 ? 0.8709 0.6920 0.8103 0.0176 0.1166 -0.0672 807 ILE A CG2 4788 C CD1 . ILE A 725 ? 0.9191 0.7559 0.8743 0.0150 0.1036 -0.0810 807 ILE A CD1 4789 N N . PRO A 726 ? 0.6171 0.4775 0.5940 0.0072 0.1092 -0.0547 808 PRO A N 4790 C CA . PRO A 726 ? 0.5958 0.4655 0.5776 0.0073 0.1042 -0.0521 808 PRO A CA 4791 C C . PRO A 726 ? 0.5781 0.4477 0.5542 0.0121 0.0979 -0.0571 808 PRO A C 4792 O O . PRO A 726 ? 0.5920 0.4598 0.5659 0.0140 0.0946 -0.0641 808 PRO A O 4793 C CB . PRO A 726 ? 0.6467 0.5281 0.6422 0.0028 0.1018 -0.0526 808 PRO A CB 4794 C CG . PRO A 726 ? 0.5921 0.4699 0.5900 -0.0005 0.1076 -0.0522 808 PRO A CG 4795 C CD . PRO A 726 ? 0.5889 0.4546 0.5757 0.0028 0.1102 -0.0563 808 PRO A CD 4796 N N . THR A 727 ? 0.4954 0.3663 0.4688 0.0140 0.0962 -0.0535 809 THR A N 4797 C CA . THR A 727 ? 0.4228 0.2940 0.3909 0.0186 0.0902 -0.0575 809 THR A CA 4798 C C . THR A 727 ? 0.3859 0.2688 0.3635 0.0179 0.0832 -0.0602 809 THR A C 4799 O O . THR A 727 ? 0.3399 0.2236 0.3149 0.0217 0.0772 -0.0662 809 THR A O 4800 C CB . THR A 727 ? 0.4119 0.2803 0.3739 0.0207 0.0916 -0.0522 809 THR A CB 4801 O OG1 . THR A 727 ? 0.4588 0.3357 0.4295 0.0172 0.0913 -0.0464 809 THR A OG1 4802 C CG2 . THR A 727 ? 0.4517 0.3082 0.4043 0.0214 0.0992 -0.0486 809 THR A CG2 4803 N N . HIS A 728 ? 0.4382 0.3297 0.4265 0.0133 0.0840 -0.0558 810 HIS A N 4804 C CA . HIS A 728 ? 0.4401 0.3427 0.4382 0.0119 0.0784 -0.0576 810 HIS A CA 4805 C C . HIS A 728 ? 0.4276 0.3369 0.4376 0.0058 0.0812 -0.0554 810 HIS A C 4806 O O . HIS A 728 ? 0.4935 0.3989 0.5038 0.0029 0.0873 -0.0519 810 HIS A O 4807 C CB . HIS A 728 ? 0.4378 0.3453 0.4365 0.0131 0.0751 -0.0541 810 HIS A CB 4808 C CG . HIS A 728 ? 0.4352 0.3367 0.4229 0.0189 0.0725 -0.0557 810 HIS A CG 4809 N ND1 . HIS A 728 ? 0.4552 0.3479 0.4339 0.0203 0.0773 -0.0522 810 HIS A ND1 4810 C CD2 . HIS A 728 ? 0.4554 0.3581 0.4395 0.0238 0.0660 -0.0604 810 HIS A CD2 4811 C CE1 . HIS A 728 ? 0.5465 0.4355 0.5170 0.0252 0.0741 -0.0547 810 HIS A CE1 4812 N NE2 . HIS A 728 ? 0.5433 0.4384 0.5169 0.0276 0.0670 -0.0599 810 HIS A NE2 4813 N N . PHE A 729 ? 0.3577 0.2769 0.3775 0.0040 0.0770 -0.0574 811 PHE A N 4814 C CA . PHE A 729 ? 0.3715 0.2984 0.4035 -0.0019 0.0792 -0.0552 811 PHE A CA 4815 C C . PHE A 729 ? 0.3892 0.3257 0.4285 -0.0032 0.0748 -0.0532 811 PHE A C 4816 O O . PHE A 729 ? 0.3414 0.2821 0.3816 -0.0005 0.0692 -0.0569 811 PHE A O 4817 C CB . PHE A 729 ? 0.2959 0.2254 0.3345 -0.0039 0.0794 -0.0606 811 PHE A CB 4818 C CG . PHE A 729 ? 0.4269 0.3475 0.4607 -0.0046 0.0853 -0.0615 811 PHE A CG 4819 C CD1 . PHE A 729 ? 0.5287 0.4480 0.5659 -0.0089 0.0914 -0.0569 811 PHE A CD1 4820 C CD2 . PHE A 729 ? 0.4146 0.3273 0.4398 -0.0008 0.0844 -0.0671 811 PHE A CD2 4821 C CE1 . PHE A 729 ? 0.5668 0.4772 0.5990 -0.0093 0.0970 -0.0577 811 PHE A CE1 4822 C CE2 . PHE A 729 ? 0.4050 0.3088 0.4253 -0.0015 0.0899 -0.0682 811 PHE A CE2 4823 C CZ . PHE A 729 ? 0.5190 0.4217 0.5429 -0.0057 0.0964 -0.0634 811 PHE A CZ 4824 N N . PHE A 730 ? 0.3430 0.2823 0.3869 -0.0070 0.0773 -0.0476 812 PHE A N 4825 C CA . PHE A 730 ? 0.3518 0.2993 0.4021 -0.0084 0.0734 -0.0459 812 PHE A CA 4826 C C . PHE A 730 ? 0.3437 0.3000 0.4068 -0.0134 0.0731 -0.0470 812 PHE A C 4827 O O . PHE A 730 ? 0.1321 0.0874 0.1991 -0.0168 0.0775 -0.0468 812 PHE A O 4828 C CB . PHE A 730 ? 0.3027 0.2479 0.3497 -0.0093 0.0753 -0.0395 812 PHE A CB 4829 C CG . PHE A 730 ? 0.3459 0.2907 0.3973 -0.0142 0.0802 -0.0351 812 PHE A CG 4830 C CD1 . PHE A 730 ? 0.3767 0.3288 0.4374 -0.0183 0.0792 -0.0338 812 PHE A CD1 4831 C CD2 . PHE A 730 ? 0.3005 0.2370 0.3460 -0.0142 0.0859 -0.0324 812 PHE A CD2 4832 C CE1 . PHE A 730 ? 0.2828 0.2340 0.3448 -0.0210 0.0820 -0.0300 812 PHE A CE1 4833 C CE2 . PHE A 730 ? 0.3419 0.2775 0.3906 -0.0180 0.0902 -0.0283 812 PHE A CE2 4834 C CZ . PHE A 730 ? 0.2922 0.2354 0.3478 -0.0204 0.0868 -0.0273 812 PHE A CZ 4835 N N . ILE A 731 ? 0.3692 0.3335 0.4385 -0.0136 0.0682 -0.0484 813 ILE A N 4836 C CA . ILE A 731 ? 0.3693 0.3421 0.4510 -0.0182 0.0677 -0.0492 813 ILE A CA 4837 C C . ILE A 731 ? 0.2984 0.2772 0.3834 -0.0185 0.0634 -0.0477 813 ILE A C 4838 O O . ILE A 731 ? 0.2335 0.2139 0.3159 -0.0147 0.0586 -0.0499 813 ILE A O 4839 C CB . ILE A 731 ? 0.1817 0.1593 0.2704 -0.0184 0.0663 -0.0556 813 ILE A CB 4840 C CG1 . ILE A 731 ? 0.2466 0.2337 0.3488 -0.0232 0.0655 -0.0567 813 ILE A CG1 4841 C CG2 . ILE A 731 ? 0.1189 0.0966 0.2029 -0.0129 0.0608 -0.0600 813 ILE A CG2 4842 C CD1 . ILE A 731 ? 0.3923 0.3851 0.5034 -0.0240 0.0645 -0.0630 813 ILE A CD1 4843 N N . VAL A 732 ? 0.3411 0.3221 0.4311 -0.0228 0.0653 -0.0441 814 VAL A N 4844 C CA . VAL A 732 ? 0.2960 0.2810 0.3853 -0.0216 0.0601 -0.0422 814 VAL A CA 4845 C C . VAL A 732 ? 0.2645 0.2552 0.3570 -0.0216 0.0557 -0.0431 814 VAL A C 4846 O O . VAL A 732 ? 0.3124 0.3017 0.4022 -0.0218 0.0561 -0.0408 814 VAL A O 4847 C CB . VAL A 732 ? 0.2884 0.2687 0.3683 -0.0203 0.0599 -0.0359 814 VAL A CB 4848 C CG1 . VAL A 732 ? 0.1928 0.1768 0.2718 -0.0191 0.0550 -0.0345 814 VAL A CG1 4849 C CG2 . VAL A 732 ? 0.0912 0.0644 0.1664 -0.0201 0.0649 -0.0343 814 VAL A CG2 4850 N N . LEU A 733 ? 0.3212 0.3179 0.4195 -0.0211 0.0518 -0.0465 815 LEU A N 4851 C CA . LEU A 733 ? 0.2436 0.2449 0.3445 -0.0209 0.0481 -0.0474 815 LEU A CA 4852 C C . LEU A 733 ? 0.2575 0.2592 0.3538 -0.0196 0.0446 -0.0440 815 LEU A C 4853 O O . LEU A 733 ? 0.2682 0.2713 0.3651 -0.0187 0.0428 -0.0446 815 LEU A O 4854 C CB . LEU A 733 ? 0.1240 0.1319 0.2344 -0.0209 0.0459 -0.0540 815 LEU A CB 4855 C CG . LEU A 733 ? 0.1789 0.1874 0.2954 -0.0222 0.0492 -0.0588 815 LEU A CG 4856 C CD1 . LEU A 733 ? 0.1300 0.1464 0.2564 -0.0216 0.0456 -0.0659 815 LEU A CD1 4857 C CD2 . LEU A 733 ? 0.2486 0.2532 0.3628 -0.0237 0.0530 -0.0569 815 LEU A CD2 4858 N N . THR A 734 ? 0.2916 0.2921 0.3838 -0.0197 0.0440 -0.0407 816 THR A N 4859 C CA . THR A 734 ? 0.2457 0.2464 0.3338 -0.0187 0.0412 -0.0378 816 THR A CA 4860 C C . THR A 734 ? 0.2389 0.2426 0.3296 -0.0189 0.0392 -0.0390 816 THR A C 4861 O O . THR A 734 ? 0.1666 0.1698 0.2582 -0.0198 0.0406 -0.0392 816 THR A O 4862 C CB . THR A 734 ? 0.2254 0.2216 0.3057 -0.0184 0.0422 -0.0328 816 THR A CB 4863 O OG1 . THR A 734 ? 0.3248 0.3177 0.4026 -0.0183 0.0447 -0.0316 816 THR A OG1 4864 C CG2 . THR A 734 ? 0.1958 0.1926 0.2726 -0.0174 0.0394 -0.0304 816 THR A CG2 4865 N N . SER A 735 ? 0.2712 0.2775 0.3633 -0.0181 0.0365 -0.0399 817 SER A N 4866 C CA . SER A 735 ? 0.2259 0.2343 0.3203 -0.0182 0.0350 -0.0411 817 SER A CA 4867 C C . SER A 735 ? 0.2153 0.2235 0.3068 -0.0174 0.0332 -0.0393 817 SER A C 4868 O O . SER A 735 ? 0.2641 0.2706 0.3515 -0.0167 0.0329 -0.0370 817 SER A O 4869 C CB . SER A 735 ? 0.2792 0.2925 0.3817 -0.0182 0.0336 -0.0465 817 SER A CB 4870 O OG . SER A 735 ? 0.4960 0.5099 0.6021 -0.0192 0.0355 -0.0487 817 SER A OG 4871 N N . CYS A 736 ? 0.2990 0.3089 0.3930 -0.0175 0.0324 -0.0406 818 CYS A N 4872 C CA . CYS A 736 ? 0.3370 0.3469 0.4295 -0.0169 0.0311 -0.0397 818 CYS A CA 4873 C C . CYS A 736 ? 0.2754 0.2889 0.3731 -0.0159 0.0288 -0.0434 818 CYS A C 4874 O O . CYS A 736 ? 0.3855 0.4024 0.4892 -0.0158 0.0278 -0.0474 818 CYS A O 4875 C CB . CYS A 736 ? 0.3482 0.3576 0.4413 -0.0175 0.0320 -0.0396 818 CYS A CB 4876 S SG . CYS A 736 ? 0.5578 0.5601 0.6675 -0.0180 0.0462 -0.0492 818 CYS A SG 4877 N N . LYS A 737 ? 0.1674 0.1804 0.2632 -0.0151 0.0278 -0.0423 819 LYS A N 4878 C CA . LYS A 737 ? 0.2426 0.2589 0.3434 -0.0140 0.0255 -0.0459 819 LYS A CA 4879 C C . LYS A 737 ? 0.3357 0.3546 0.4418 -0.0140 0.0248 -0.0491 819 LYS A C 4880 O O . LYS A 737 ? 0.4034 0.4261 0.5156 -0.0129 0.0225 -0.0535 819 LYS A O 4881 C CB . LYS A 737 ? 0.0513 0.0660 0.1487 -0.0132 0.0252 -0.0438 819 LYS A CB 4882 C CG . LYS A 737 ? 0.4355 0.4524 0.5364 -0.0120 0.0234 -0.0465 819 LYS A CG 4883 C CD . LYS A 737 ? 0.5225 0.5371 0.6197 -0.0116 0.0239 -0.0440 819 LYS A CD 4884 C CE . LYS A 737 ? 0.5392 0.5558 0.6404 -0.0104 0.0224 -0.0470 819 LYS A CE 4885 N NZ . LYS A 737 ? 0.4555 0.4721 0.5573 -0.0105 0.0230 -0.0477 819 LYS A NZ 4886 N N . GLN A 738 ? 0.3221 0.3390 0.4263 -0.0150 0.0266 -0.0473 820 GLN A N 4887 C CA . GLN A 738 ? 0.3329 0.3515 0.4424 -0.0153 0.0269 -0.0503 820 GLN A CA 4888 C C . GLN A 738 ? 0.4141 0.4332 0.5261 -0.0165 0.0283 -0.0516 820 GLN A C 4889 O O . GLN A 738 ? 0.4919 0.5079 0.5995 -0.0175 0.0303 -0.0484 820 GLN A O 4890 C CB . GLN A 738 ? 0.3563 0.3723 0.4629 -0.0157 0.0284 -0.0481 820 GLN A CB 4891 C CG . GLN A 738 ? 0.5475 0.5656 0.6608 -0.0157 0.0287 -0.0520 820 GLN A CG 4892 C CD . GLN A 738 ? 0.6057 0.6267 0.7233 -0.0142 0.0263 -0.0551 820 GLN A CD 4893 O OE1 . GLN A 738 ? 0.7459 0.7701 0.8709 -0.0137 0.0255 -0.0599 820 GLN A OE1 4894 N NE2 . GLN A 738 ? 0.3721 0.3921 0.4854 -0.0134 0.0252 -0.0528 820 GLN A NE2 4895 N N . LEU A 739 ? 0.4122 0.4352 0.5316 -0.0163 0.0270 -0.0564 821 LEU A N 4896 C CA . LEU A 739 ? 0.4202 0.4441 0.5429 -0.0174 0.0282 -0.0583 821 LEU A CA 4897 C C . LEU A 739 ? 0.4098 0.4315 0.5328 -0.0189 0.0312 -0.0575 821 LEU A C 4898 O O . LEU A 739 ? 0.4014 0.4230 0.5264 -0.0201 0.0329 -0.0583 821 LEU A O 4899 C CB . LEU A 739 ? 0.4075 0.4367 0.5386 -0.0165 0.0257 -0.0642 821 LEU A CB 4900 C CG . LEU A 739 ? 0.3866 0.4185 0.5186 -0.0150 0.0227 -0.0660 821 LEU A CG 4901 C CD1 . LEU A 739 ? 0.4229 0.4604 0.5635 -0.0137 0.0198 -0.0725 821 LEU A CD1 4902 C CD2 . LEU A 739 ? 0.2454 0.2756 0.3739 -0.0158 0.0241 -0.0636 821 LEU A CD2 4903 N N . SER A 740 ? 0.0670 0.0870 0.1887 -0.0188 0.0321 -0.0563 822 SER A N 4904 C CA . SER A 740 ? 0.3200 0.3375 0.4421 -0.0201 0.0353 -0.0558 822 SER A CA 4905 C C . SER A 740 ? 0.3836 0.3967 0.4980 -0.0208 0.0372 -0.0507 822 SER A C 4906 O O . SER A 740 ? 0.4993 0.5100 0.6136 -0.0219 0.0400 -0.0501 822 SER A O 4907 C CB . SER A 740 ? 0.3069 0.3243 0.4309 -0.0197 0.0358 -0.0568 822 SER A CB 4908 O OG . SER A 740 ? 0.3245 0.3398 0.4419 -0.0188 0.0349 -0.0530 822 SER A OG 4909 N N . GLU A 741 ? 0.3045 0.3165 0.4130 -0.0200 0.0358 -0.0475 823 GLU A N 4910 C CA . GLU A 741 ? 0.3493 0.3574 0.4506 -0.0203 0.0371 -0.0430 823 GLU A CA 4911 C C . GLU A 741 ? 0.4807 0.4886 0.5812 -0.0208 0.0376 -0.0425 823 GLU A C 4912 O O . GLU A 741 ? 0.5186 0.5291 0.6219 -0.0205 0.0362 -0.0445 823 GLU A O 4913 C CB . GLU A 741 ? 0.3225 0.3292 0.4178 -0.0192 0.0357 -0.0397 823 GLU A CB 4914 C CG . GLU A 741 ? 0.4056 0.4123 0.5015 -0.0187 0.0356 -0.0401 823 GLU A CG 4915 C CD . GLU A 741 ? 0.5090 0.5148 0.6000 -0.0176 0.0340 -0.0376 823 GLU A CD 4916 O OE1 . GLU A 741 ? 0.5365 0.5426 0.6252 -0.0171 0.0327 -0.0364 823 GLU A OE1 4917 O OE2 . GLU A 741 ? 0.5116 0.5164 0.6016 -0.0173 0.0344 -0.0369 823 GLU A OE2 4918 N N . THR A 742 ? 0.4105 0.4225 0.5103 -0.0156 0.0439 -0.0413 824 THR A N 4919 C CA . THR A 742 ? 0.3822 0.3712 0.4714 -0.0175 0.0408 -0.0450 824 THR A CA 4920 C C . THR A 742 ? 0.3456 0.3331 0.4295 -0.0168 0.0403 -0.0417 824 THR A C 4921 O O . THR A 742 ? 0.4444 0.4401 0.5552 -0.0201 0.0545 -0.0490 824 THR A O 4922 C CB . THR A 742 ? 0.4192 0.4050 0.5093 -0.0185 0.0444 -0.0452 824 THR A CB 4923 O OG1 . THR A 742 ? 0.6142 0.5969 0.6999 -0.0182 0.0456 -0.0420 824 THR A OG1 4924 C CG2 . THR A 742 ? 0.2245 0.2353 0.3311 -0.0177 0.0505 -0.0445 824 THR A CG2 4925 N N . PRO A 743 ? 0.3443 0.3314 0.4280 -0.0170 0.0408 -0.0417 825 PRO A N 4926 C CA . PRO A 743 ? 0.3293 0.3347 0.4172 -0.0150 0.0453 -0.0355 825 PRO A CA 4927 C C . PRO A 743 ? 0.2950 0.2769 0.3697 -0.0161 0.0423 -0.0356 825 PRO A C 4928 O O . PRO A 743 ? 0.3322 0.3128 0.4031 -0.0154 0.0420 -0.0332 825 PRO A O 4929 C CB . PRO A 743 ? 0.3549 0.3396 0.4352 -0.0171 0.0422 -0.0399 825 PRO A CB 4930 C CG . PRO A 743 ? 0.4298 0.4392 0.5255 -0.0162 0.0460 -0.0401 825 PRO A CG 4931 C CD . PRO A 743 ? 0.4666 0.4770 0.5649 -0.0163 0.0461 -0.0412 825 PRO A CD 4932 N N . LEU A 744 ? 0.1993 0.1795 0.2747 -0.0165 0.0440 -0.0358 826 LEU A N 4933 C CA . LEU A 744 ? 0.1623 0.1591 0.2416 -0.0147 0.0504 -0.0303 826 LEU A CA 4934 C C . LEU A 744 ? 0.1783 0.1621 0.2746 -0.0192 0.0603 -0.0400 826 LEU A C 4935 O O . LEU A 744 ? 0.2968 0.2915 0.3708 -0.0137 0.0493 -0.0274 826 LEU A O 4936 C CB . LEU A 744 ? 0.2033 0.1830 0.3035 -0.0211 0.0670 -0.0421 826 LEU A CB 4937 C CG . LEU A 744 ? 0.2879 0.2821 0.3707 -0.0163 0.0563 -0.0321 826 LEU A CG 4938 C CD1 . LEU A 744 ? 0.3185 0.3105 0.4027 -0.0170 0.0601 -0.0327 826 LEU A CD1 4939 C CD2 . LEU A 744 ? 0.3926 0.3638 0.4640 -0.0172 0.0511 -0.0330 826 LEU A CD2 4940 N N . GLU A 745 ? 0.2188 0.2067 0.3183 -0.0191 0.0573 -0.0420 827 GLU A N 4941 C CA . GLU A 745 ? 0.4057 0.3878 0.4771 -0.0148 0.0403 -0.0330 827 GLU A CA 4942 C C . GLU A 745 ? 0.3478 0.3513 0.4277 -0.0131 0.0415 -0.0307 827 GLU A C 4943 O O . GLU A 745 ? 0.2819 0.2872 0.3635 -0.0130 0.0402 -0.0316 827 GLU A O 4944 C CB . GLU A 745 ? 0.3996 0.3887 0.5019 -0.0194 0.0572 -0.0433 827 GLU A CB 4945 C CG . GLU A 745 ? 0.3897 0.3942 0.4781 -0.0149 0.0461 -0.0349 827 GLU A CG 4946 C CD . GLU A 745 ? 0.5783 0.5617 0.6610 -0.0171 0.0435 -0.0398 827 GLU A CD 4947 O OE1 . GLU A 745 ? 0.6940 0.6794 0.7815 -0.0176 0.0433 -0.0429 827 GLU A OE1 4948 O OE2 . GLU A 745 ? 0.5849 0.5655 0.6654 -0.0171 0.0453 -0.0381 827 GLU A OE2 4949 N N . CYS A 746 ? 0.2949 0.2985 0.3733 -0.0128 0.0404 -0.0302 828 CYS A N 4950 C CA . CYS A 746 ? 0.2780 0.2838 0.3567 -0.0122 0.0376 -0.0305 828 CYS A CA 4951 C C . CYS A 746 ? 0.2988 0.2943 0.3922 -0.0158 0.0451 -0.0392 828 CYS A C 4952 O O . CYS A 746 ? 0.0665 0.0590 0.1553 -0.0155 0.0462 -0.0364 828 CYS A O 4953 C CB . CYS A 746 ? 0.2505 0.2389 0.3203 -0.0132 0.0335 -0.0329 828 CYS A CB 4954 S SG . CYS A 746 ? 0.7836 0.7811 0.8851 -0.0176 0.0476 -0.0444 828 CYS A SG 4955 N N . SER A 747 ? 0.1820 0.1892 0.2591 -0.0113 0.0344 -0.0297 829 SER A N 4956 C CA . SER A 747 ? 0.1910 0.1923 0.2646 -0.0151 0.0309 -0.0279 829 SER A CA 4957 C C . SER A 747 ? 0.2670 0.2684 0.3389 -0.0145 0.0298 -0.0271 829 SER A C 4958 O O . SER A 747 ? 0.2804 0.2854 0.3495 -0.0100 0.0318 -0.0255 829 SER A O 4959 C CB . SER A 747 ? 0.3157 0.3189 0.3943 -0.0150 0.0307 -0.0309 829 SER A CB 4960 O OG . SER A 747 ? 0.5613 0.5641 0.6419 -0.0157 0.0322 -0.0318 829 SER A OG 4961 N N . ALA A 748 ? 0.2526 0.2558 0.3281 -0.0145 0.0295 -0.0294 830 ALA A N 4962 C CA . ALA A 748 ? 0.3220 0.3250 0.3967 -0.0141 0.0292 -0.0291 830 ALA A CA 4963 C C . ALA A 748 ? 0.3503 0.3538 0.4270 -0.0146 0.0299 -0.0303 830 ALA A C 4964 O O . ALA A 748 ? 0.3399 0.3449 0.4202 -0.0151 0.0301 -0.0324 830 ALA A O 4965 C CB . ALA A 748 ? 0.0483 0.0534 0.1271 -0.0135 0.0280 -0.0316 830 ALA A CB 4966 N N . LEU A 749 ? 0.3822 0.3844 0.4570 -0.0144 0.0305 -0.0293 831 LEU A N 4967 C CA . LEU A 749 ? 0.3225 0.3247 0.3992 -0.0149 0.0318 -0.0305 831 LEU A CA 4968 C C . LEU A 749 ? 0.3475 0.3525 0.4303 -0.0147 0.0312 -0.0345 831 LEU A C 4969 O O . LEU A 749 ? 0.3850 0.3913 0.4697 -0.0139 0.0300 -0.0359 831 LEU A O 4970 C CB . LEU A 749 ? 0.3411 0.3398 0.4128 -0.0149 0.0335 -0.0275 831 LEU A CB 4971 C CG . LEU A 749 ? 0.3231 0.3196 0.3898 -0.0150 0.0339 -0.0243 831 LEU A CG 4972 C CD1 . LEU A 749 ? 0.2604 0.2587 0.3241 -0.0108 0.0379 -0.0231 831 LEU A CD1 4973 C CD2 . LEU A 749 ? 0.2542 0.2465 0.3412 -0.0156 0.0461 -0.0361 831 LEU A CD2 4974 N N . GLU A 750 ? 0.3758 0.3819 0.4621 -0.0152 0.0320 -0.0369 832 GLU A N 4975 C CA . GLU A 750 ? 0.3251 0.3345 0.4180 -0.0149 0.0313 -0.0414 832 GLU A CA 4976 C C . GLU A 750 ? 0.3738 0.3815 0.4671 -0.0156 0.0338 -0.0418 832 GLU A C 4977 O O . GLU A 750 ? 0.4584 0.4671 0.5543 -0.0164 0.0347 -0.0434 832 GLU A O 4978 C CB . GLU A 750 ? 0.4000 0.4137 0.4990 -0.0148 0.0292 -0.0455 832 GLU A CB 4979 C CG . GLU A 750 ? 0.6085 0.6270 0.7150 -0.0138 0.0269 -0.0511 832 GLU A CG 4980 C CD . GLU A 750 ? 0.8655 0.8858 0.9736 -0.0123 0.0243 -0.0526 832 GLU A CD 4981 O OE1 . GLU A 750 ? 1.0197 1.0434 1.1328 -0.0109 0.0221 -0.0569 832 GLU A OE1 4982 O OE2 . GLU A 750 ? 0.9255 0.9442 1.0304 -0.0122 0.0242 -0.0501 832 GLU A OE2 4983 N N . SER A 751 ? 0.3436 0.3485 0.4344 -0.0155 0.0356 -0.0404 833 SER A N 4984 C CA . SER A 751 ? 0.2769 0.2790 0.3674 -0.0162 0.0391 -0.0404 833 SER A CA 4985 C C . SER A 751 ? 0.2457 0.2505 0.3434 -0.0162 0.0394 -0.0458 833 SER A C 4986 O O . SER A 751 ? 0.2981 0.3037 0.3931 -0.0126 0.0357 -0.0472 833 SER A O 4987 C CB . SER A 751 ? 0.3185 0.3149 0.4014 -0.0161 0.0416 -0.0356 833 SER A CB 4988 O OG . SER A 751 ? 0.4497 0.4443 0.5268 -0.0160 0.0410 -0.0316 833 SER A OG 4989 N N . SER A 752 ? 0.2631 0.2663 0.3610 -0.0164 0.0418 -0.0472 834 SER A N 4990 C CA . SER A 752 ? 0.3331 0.3341 0.4254 -0.0114 0.0397 -0.0501 834 SER A CA 4991 C C . SER A 752 ? 0.4022 0.3978 0.4907 -0.0118 0.0441 -0.0493 834 SER A C 4992 O O . SER A 752 ? 0.4418 0.4394 0.5369 -0.0152 0.0467 -0.0507 834 SER A O 4993 C CB . SER A 752 ? 0.3364 0.3441 0.4362 -0.0104 0.0356 -0.0559 834 SER A CB 4994 O OG . SER A 752 ? 0.4761 0.4884 0.5861 -0.0149 0.0378 -0.0581 834 SER A OG 4995 N N . ALA A 753 ? 0.3264 0.3144 0.4038 -0.0081 0.0452 -0.0471 835 ALA A N 4996 C CA . ALA A 753 ? 0.3057 0.2874 0.3781 -0.0080 0.0495 -0.0462 835 ALA A CA 4997 C C . ALA A 753 ? 0.4499 0.4275 0.5153 -0.0027 0.0476 -0.0501 835 ALA A C 4998 O O . ALA A 753 ? 0.4998 0.4773 0.5607 0.0019 0.0433 -0.0522 835 ALA A O 4999 C CB . ALA A 753 ? 0.3005 0.2759 0.3658 -0.0084 0.0531 -0.0407 835 ALA A CB 5000 N N . TYR A 754 ? 0.4766 0.4501 0.5401 -0.0030 0.0511 -0.0513 836 TYR A N 5001 C CA . TYR A 754 ? 0.3476 0.3156 0.4031 0.0021 0.0497 -0.0552 836 TYR A CA 5002 C C . TYR A 754 ? 0.3106 0.2695 0.3578 0.0027 0.0546 -0.0533 836 TYR A C 5003 O O . TYR A 754 ? 0.2482 0.2067 0.2996 -0.0018 0.0594 -0.0509 836 TYR A O 5004 C CB . TYR A 754 ? 0.4207 0.3941 0.4844 0.0011 0.0480 -0.0610 836 TYR A CB 5005 C CG . TYR A 754 ? 0.5503 0.5338 0.6246 -0.0002 0.0436 -0.0633 836 TYR A CG 5006 C CD1 . TYR A 754 ? 0.5541 0.5455 0.6409 -0.0062 0.0449 -0.0623 836 TYR A CD1 5007 C CD2 . TYR A 754 ? 0.5618 0.5465 0.6332 0.0046 0.0382 -0.0665 836 TYR A CD2 5008 C CE1 . TYR A 754 ? 0.5891 0.5895 0.6855 -0.0074 0.0408 -0.0647 836 TYR A CE1 5009 C CE2 . TYR A 754 ? 0.5191 0.5133 0.6006 0.0033 0.0341 -0.0688 836 TYR A CE2 5010 C CZ . TYR A 754 ? 0.6079 0.6100 0.7021 -0.0026 0.0354 -0.0680 836 TYR A CZ 5011 O OH . TYR A 754 ? 0.6667 0.6778 0.7707 -0.0037 0.0313 -0.0706 836 TYR A OH 5012 N N . ILE A 755 ? 0.2850 0.2360 0.3201 0.0084 0.0535 -0.0545 837 ILE A N 5013 C CA . ILE A 755 ? 0.2584 0.2004 0.2855 0.0095 0.0579 -0.0538 837 ILE A CA 5014 C C . ILE A 755 ? 0.3380 0.2747 0.3582 0.0143 0.0556 -0.0600 837 ILE A C 5015 O O . ILE A 755 ? 0.4313 0.3627 0.4413 0.0203 0.0522 -0.0620 837 ILE A O 5016 C CB . ILE A 755 ? 0.2428 0.1787 0.2611 0.0115 0.0599 -0.0493 837 ILE A CB 5017 C CG1 . ILE A 755 ? 0.2291 0.1695 0.2538 0.0067 0.0620 -0.0434 837 ILE A CG1 5018 C CG2 . ILE A 755 ? 0.2923 0.2188 0.3031 0.0121 0.0651 -0.0485 837 ILE A CG2 5019 C CD1 . ILE A 755 ? 0.1976 0.1321 0.2151 0.0076 0.0650 -0.0384 837 ILE A CD1 5020 N N . LEU A 756 ? 0.3566 0.2942 0.3820 0.0116 0.0575 -0.0631 838 LEU A N 5021 C CA . LEU A 756 ? 0.3462 0.2792 0.3664 0.0153 0.0552 -0.0697 838 LEU A CA 5022 C C . LEU A 756 ? 0.5170 0.4384 0.5255 0.0180 0.0585 -0.0706 838 LEU A C 5023 O O . LEU A 756 ? 0.6209 0.5396 0.6308 0.0144 0.0644 -0.0677 838 LEU A O 5024 C CB . LEU A 756 ? 0.3991 0.3389 0.4315 0.0107 0.0561 -0.0731 838 LEU A CB 5025 C CG . LEU A 756 ? 0.4725 0.4249 0.5185 0.0075 0.0530 -0.0731 838 LEU A CG 5026 C CD1 . LEU A 756 ? 0.4669 0.4268 0.5266 0.0023 0.0548 -0.0764 838 LEU A CD1 5027 C CD2 . LEU A 756 ? 0.5940 0.5474 0.6360 0.0126 0.0466 -0.0761 838 LEU A CD2 5028 N N . PRO A 757 ? 0.5789 0.4928 0.5754 0.0246 0.0546 -0.0749 839 PRO A N 5029 C CA . PRO A 757 ? 0.5471 0.4499 0.5325 0.0275 0.0571 -0.0770 839 PRO A CA 5030 C C . PRO A 757 ? 0.6561 0.5548 0.6423 0.0253 0.0599 -0.0811 839 PRO A C 5031 O O . PRO A 757 ? 0.6268 0.5277 0.6164 0.0251 0.0569 -0.0860 839 PRO A O 5032 C CB . PRO A 757 ? 0.5359 0.4337 0.5103 0.0350 0.0505 -0.0820 839 PRO A CB 5033 C CG . PRO A 757 ? 0.5646 0.4680 0.5428 0.0358 0.0452 -0.0838 839 PRO A CG 5034 C CD . PRO A 757 ? 0.6102 0.5249 0.6025 0.0296 0.0477 -0.0781 839 PRO A CD 5035 N N . HIS A 758 ? 0.6995 0.5918 0.6827 0.0233 0.0663 -0.0789 840 HIS A N 5036 C CA . HIS A 758 ? 0.6283 0.5152 0.6111 0.0212 0.0697 -0.0826 840 HIS A CA 5037 C C . HIS A 758 ? 0.6333 0.5085 0.6025 0.0265 0.0679 -0.0890 840 HIS A C 5038 O O . HIS A 758 ? 0.5175 0.3842 0.4785 0.0277 0.0723 -0.0874 840 HIS A O 5039 C CB . HIS A 758 ? 0.5716 0.4567 0.5575 0.0164 0.0780 -0.0768 840 HIS A CB 5040 C CG . HIS A 758 ? 0.5200 0.4021 0.5090 0.0130 0.0820 -0.0797 840 HIS A CG 5041 N ND1 . HIS A 758 ? 0.5074 0.3822 0.4935 0.0108 0.0894 -0.0766 840 HIS A ND1 5042 C CD2 . HIS A 758 ? 0.4331 0.3181 0.4278 0.0114 0.0800 -0.0854 840 HIS A CD2 5043 C CE1 . HIS A 758 ? 0.4851 0.3582 0.4745 0.0081 0.0917 -0.0804 840 HIS A CE1 5044 N NE2 . HIS A 758 ? 0.4800 0.3595 0.4751 0.0082 0.0861 -0.0858 840 HIS A NE2 5045 N N . ARG A 759 ? 0.6592 0.5331 0.6256 0.0295 0.0617 -0.0962 841 ARG A N 5046 C CA . ARG A 759 ? 0.6312 0.4940 0.5843 0.0349 0.0583 -0.1035 841 ARG A CA 5047 C C . ARG A 759 ? 0.6049 0.4609 0.5563 0.0330 0.0594 -0.1097 841 ARG A C 5048 O O . ARG A 759 ? 0.6303 0.4919 0.5911 0.0289 0.0596 -0.1104 841 ARG A O 5049 C CB . ARG A 759 ? 0.6423 0.5058 0.5898 0.0409 0.0495 -0.1075 841 ARG A CB 5050 C CG . ARG A 759 ? 0.7097 0.5786 0.6576 0.0433 0.0483 -0.1027 841 ARG A CG 5051 C CD . ARG A 759 ? 0.8641 0.7267 0.8050 0.0448 0.0524 -0.1023 841 ARG A CD 5052 N NE . ARG A 759 ? 1.1001 0.9536 1.0316 0.0482 0.0503 -0.1110 841 ARG A NE 5053 C CZ . ARG A 759 ? 1.0460 0.8894 0.9696 0.0474 0.0568 -0.1111 841 ARG A CZ 5054 N NH1 . ARG A 759 ? 1.0508 0.8915 0.9741 0.0439 0.0653 -0.1027 841 ARG A NH1 5055 N NH2 . ARG A 759 ? 0.8711 0.7062 0.7862 0.0499 0.0548 -0.1197 841 ARG A NH2 5056 N N . PRO A 760 ? 0.5544 0.3985 0.4946 0.0355 0.0604 -0.1146 842 PRO A N 5057 C CA . PRO A 760 ? 0.5179 0.3533 0.4543 0.0341 0.0609 -0.1215 842 PRO A CA 5058 C C . PRO A 760 ? 0.5077 0.3411 0.4405 0.0364 0.0526 -0.1290 842 PRO A C 5059 O O . PRO A 760 ? 0.5220 0.3506 0.4550 0.0334 0.0528 -0.1339 842 PRO A O 5060 C CB . PRO A 760 ? 0.3837 0.2069 0.3075 0.0370 0.0634 -0.1247 842 PRO A CB 5061 C CG . PRO A 760 ? 0.7076 0.5336 0.6314 0.0374 0.0681 -0.1166 842 PRO A CG 5062 C CD . PRO A 760 ? 0.6205 0.4587 0.5519 0.0386 0.0629 -0.1133 842 PRO A CD 5063 N N . ASP A 761 ? 0.5548 0.3904 0.4833 0.0413 0.0457 -0.1294 843 ASP A N 5064 C CA . ASP A 761 ? 0.7484 0.5786 0.6697 0.0431 0.0390 -0.1346 843 ASP A CA 5065 C C . ASP A 761 ? 0.7630 0.6015 0.6884 0.0435 0.0369 -0.1294 843 ASP A C 5066 O O . ASP A 761 ? 0.7480 0.5960 0.6805 0.0440 0.0386 -0.1228 843 ASP A O 5067 C CB . ASP A 761 ? 0.9547 0.7723 0.8590 0.0491 0.0325 -0.1420 843 ASP A CB 5068 C CG . ASP A 761 ? 1.0899 0.9144 0.9960 0.0534 0.0314 -0.1413 843 ASP A CG 5069 O OD1 . ASP A 761 ? 1.0077 0.8419 0.9201 0.0542 0.0319 -0.1348 843 ASP A OD1 5070 O OD2 . ASP A 761 ? 1.1987 1.0195 1.1020 0.0544 0.0319 -0.1484 843 ASP A OD2 5071 N N . ASN A 762 ? 0.7266 0.5621 0.6491 0.0418 0.0345 -0.1326 844 ASN A N 5072 C CA . ASN A 762 ? 0.7158 0.5616 0.6464 0.0405 0.0338 -0.1289 844 ASN A CA 5073 C C . ASN A 762 ? 0.7453 0.5781 0.6578 0.0435 0.0319 -0.1305 844 ASN A C 5074 O O . ASN A 762 ? 0.6718 0.5130 0.5940 0.0401 0.0302 -0.1340 844 ASN A O 5075 C CB . ASN A 762 ? 0.7137 0.5770 0.6681 0.0333 0.0340 -0.1316 844 ASN A CB 5076 C CG . ASN A 762 ? 0.7181 0.5951 0.6913 0.0284 0.0386 -0.1277 844 ASN A CG 5077 O OD1 . ASN A 762 ? 0.7216 0.5978 0.6928 0.0295 0.0419 -0.1220 844 ASN A OD1 5078 N ND2 . ASN A 762 ? 0.6906 0.5806 0.6828 0.0226 0.0393 -0.1309 844 ASN A ND2 5079 N N . ILE A 763 ? 0.7866 0.6087 0.6817 0.0481 0.0312 -0.1268 845 ILE A N 5080 C CA . ILE A 763 ? 0.8255 0.6360 0.7062 0.0456 0.0357 -0.1264 845 ILE A CA 5081 C C . ILE A 763 ? 0.8329 0.6553 0.7252 0.0438 0.0386 -0.1223 845 ILE A C 5082 O O . ILE A 763 ? 0.9338 0.7608 0.8317 0.0412 0.0386 -0.1284 845 ILE A O 5083 C CB . ILE A 763 ? 0.8040 0.5976 0.6618 0.0500 0.0368 -0.1224 845 ILE A CB 5084 C CG1 . ILE A 763 ? 0.8190 0.6264 0.6892 0.0615 0.0176 -0.1353 845 ILE A CG1 5085 C CG2 . ILE A 763 ? 0.7480 0.5590 0.6367 0.0287 0.0562 -0.1382 845 ILE A CG2 5086 N N . GLU A 764 ? 0.7222 0.5534 0.6205 0.0479 0.0364 -0.1144 846 GLU A N 5087 C CA . GLU A 764 ? 0.6626 0.5040 0.5706 0.0468 0.0384 -0.1096 846 GLU A CA 5088 C C . GLU A 764 ? 0.6891 0.5436 0.6139 0.0453 0.0341 -0.1162 846 GLU A C 5089 O O . GLU A 764 ? 0.6407 0.5035 0.5724 0.0456 0.0321 -0.1163 846 GLU A O 5090 C CB . GLU A 764 ? 0.5508 0.4020 0.4642 0.0517 0.0342 -0.1022 846 GLU A CB 5091 C CG . GLU A 764 ? 0.5517 0.4112 0.4725 0.0505 0.0360 -0.0963 846 GLU A CG 5092 C CD . GLU A 764 ? 0.6005 0.4741 0.5332 0.0528 0.0317 -0.0926 846 GLU A CD 5093 O OE1 . GLU A 764 ? 0.6225 0.5007 0.5631 0.0520 0.0319 -0.0956 846 GLU A OE1 5094 O OE2 . GLU A 764 ? 0.5844 0.4643 0.5216 0.0525 0.0319 -0.0875 846 GLU A OE2 5095 N N . SER A 765 ? 0.7398 0.6031 0.6769 0.0432 0.0303 -0.1206 847 SER A N 5096 C CA . SER A 765 ? 0.8075 0.6925 0.7685 0.0406 0.0243 -0.1240 847 SER A CA 5097 C C . SER A 765 ? 0.8209 0.7072 0.7832 0.0406 0.0186 -0.1330 847 SER A C 5098 O O . SER A 765 ? 0.7902 0.6937 0.7699 0.0408 0.0121 -0.1357 847 SER A O 5099 C CB . SER A 765 ? 0.8808 0.7781 0.8593 0.0364 0.0250 -0.1241 847 SER A CB 5100 O OG . SER A 765 ? 0.8865 0.7857 0.8666 0.0360 0.0290 -0.1165 847 SER A OG 5101 N N . CYS A 766 ? 0.8224 0.6906 0.7663 0.0406 0.0203 -0.1379 848 CYS A N 5102 C CA . CYS A 766 ? 0.7385 0.6070 0.6825 0.0400 0.0141 -0.1474 848 CYS A CA 5103 C C . CYS A 766 ? 0.6303 0.5152 0.5959 0.0370 0.0092 -0.1526 848 CYS A C 5104 O O . CYS A 766 ? 0.4446 0.3457 0.4261 0.0379 0.0021 -0.1563 848 CYS A O 5105 C CB . CYS A 766 ? 0.6659 0.5405 0.6107 0.0438 0.0083 -0.1487 848 CYS A CB 5106 S SG . CYS A 766 ? 0.8913 0.7486 0.8141 0.0459 0.0148 -0.1452 848 CYS A SG 5107 N N . THR A 767 ? 0.7804 0.6608 0.7463 0.0336 0.0134 -0.1528 849 THR A N 5108 C CA . THR A 767 ? 0.9535 0.8478 0.9399 0.0292 0.0121 -0.1570 849 THR A CA 5109 C C . THR A 767 ? 1.1639 1.0588 1.1522 0.0279 0.0055 -0.1673 849 THR A C 5110 O O . THR A 767 ? 1.2121 1.1238 1.2217 0.0253 0.0021 -0.1718 849 THR A O 5111 C CB . THR A 767 ? 1.0018 0.8869 0.9836 0.0262 0.0184 -0.1554 849 THR A CB 5112 O OG1 . THR A 767 ? 1.0741 0.9568 1.0513 0.0282 0.0235 -0.1463 849 THR A OG1 5113 C CG2 . THR A 767 ? 0.9803 0.8825 0.9867 0.0209 0.0189 -0.1585 849 THR A CG2 5114 N N . HIS A 768 ? 1.2878 1.1643 1.2534 0.0293 0.0040 -0.1710 850 HIS A N 5115 C CA . HIS A 768 ? 1.2688 1.1413 1.2300 0.0278 -0.0027 -0.1811 850 HIS A CA 5116 C C . HIS A 768 ? 1.1303 1.0254 1.1137 0.0297 -0.0113 -0.1847 850 HIS A C 5117 O O . HIS A 768 ? 0.9919 0.8944 0.9777 0.0346 -0.0147 -0.1816 850 HIS A O 5118 C CB . HIS A 768 ? 1.3447 1.1959 1.2782 0.0294 -0.0024 -0.1830 850 HIS A CB 5119 C CG . HIS A 768 ? 1.3598 1.1905 1.2722 0.0293 0.0072 -0.1773 850 HIS A CG 5120 N ND1 . HIS A 768 ? 1.3279 1.1388 1.2234 0.0260 0.0110 -0.1805 850 HIS A ND1 5121 C CD2 . HIS A 768 ? 1.3202 1.1468 1.2258 0.0325 0.0135 -0.1687 850 HIS A CD2 5122 C CE1 . HIS A 768 ? 1.3093 1.1046 1.1880 0.0281 0.0190 -0.1739 850 HIS A CE1 5123 N NE2 . HIS A 768 ? 1.2745 1.0794 1.1596 0.0315 0.0211 -0.1668 850 HIS A NE2 5124 N N . GLY A 769 ? 1.1817 1.0870 1.1813 0.0258 -0.0144 -0.1913 851 GLY A N 5125 C CA . GLY A 769 ? 1.2424 1.1704 1.2665 0.0270 -0.0216 -0.1954 851 GLY A CA 5126 C C . GLY A 769 ? 1.3591 1.3029 1.4070 0.0230 -0.0169 -0.1938 851 GLY A C 5127 O O . GLY A 769 ? 1.4246 1.3866 1.4950 0.0220 -0.0207 -0.1983 851 GLY A O 5128 N N . LYS A 770 ? 1.3990 1.3354 1.4416 0.0208 -0.0083 -0.1873 852 LYS A N 5129 C CA . LYS A 770 ? 1.3465 1.2951 1.4086 0.0163 -0.0023 -0.1850 852 LYS A CA 5130 C C . LYS A 770 ? 1.2889 1.2628 1.3783 0.0166 -0.0025 -0.1818 852 LYS A C 5131 O O . LYS A 770 ? 1.2486 1.2354 1.3579 0.0123 -0.0002 -0.1845 852 LYS A O 5132 C CB . LYS A 770 ? 1.3164 1.2622 1.3827 0.0108 -0.0025 -0.1937 852 LYS A CB 5133 N N . ARG A 771 ? 1.2418 1.2220 1.3318 0.0212 -0.0052 -0.1764 853 ARG A N 5134 C CA . ARG A 771 ? 1.1920 1.1939 1.3054 0.0210 -0.0055 -0.1730 853 ARG A CA 5135 C C . ARG A 771 ? 1.2988 1.2990 1.4104 0.0186 0.0020 -0.1635 853 ARG A C 5136 O O . ARG A 771 ? 1.4529 1.4503 1.5561 0.0216 0.0017 -0.1569 853 ARG A O 5137 C CB . ARG A 771 ? 1.0193 1.0292 1.1349 0.0270 -0.0135 -0.1729 853 ARG A CB 5138 N N . GLU A 772 ? 1.1916 1.1932 1.3108 0.0130 0.0088 -0.1630 854 GLU A N 5139 C CA . GLU A 772 ? 1.0498 1.0480 1.1659 0.0103 0.0161 -0.1545 854 GLU A CA 5140 C C . GLU A 772 ? 0.8789 0.8908 1.0069 0.0099 0.0158 -0.1480 854 GLU A C 5141 O O . GLU A 772 ? 0.8754 0.8807 0.9932 0.0105 0.0186 -0.1405 854 GLU A O 5142 C CB . GLU A 772 ? 0.9900 0.9886 1.1141 0.0042 0.0231 -0.1560 854 GLU A CB 5143 C CG . GLU A 772 ? 0.8604 0.8537 0.9797 0.0014 0.0306 -0.1478 854 GLU A CG 5144 C CD . GLU A 772 ? 0.8473 0.8402 0.9738 -0.0044 0.0377 -0.1493 854 GLU A CD 5145 O OE1 . GLU A 772 ? 0.8154 0.8013 0.9356 -0.0064 0.0438 -0.1434 854 GLU A OE1 5146 O OE2 . GLU A 772 ? 0.9176 0.9171 1.0562 -0.0070 0.0371 -0.1564 854 GLU A OE2 5147 N N . SER A 773 ? 0.8093 0.8393 0.9581 0.0088 0.0122 -0.1513 855 SER A N 5148 C CA . SER A 773 ? 0.8145 0.8566 0.9744 0.0075 0.0114 -0.1460 855 SER A CA 5149 C C . SER A 773 ? 0.8130 0.8515 0.9614 0.0131 0.0059 -0.1422 855 SER A C 5150 O O . SER A 773 ? 0.7395 0.7832 0.8913 0.0122 0.0057 -0.1368 855 SER A O 5151 C CB . SER A 773 ? 0.8197 0.8810 1.0042 0.0049 0.0088 -0.1512 855 SER A CB 5152 O OG . SER A 773 ? 0.8079 0.8743 0.9959 0.0097 0.0010 -0.1582 855 SER A OG 5153 N N . SER A 774 ? 0.8682 0.8964 1.0019 0.0187 0.0018 -0.1452 856 SER A N 5154 C CA . SER A 774 ? 0.7748 0.7989 0.8970 0.0244 -0.0032 -0.1422 856 SER A CA 5155 C C . SER A 774 ? 0.6695 0.6762 0.7697 0.0260 0.0014 -0.1351 856 SER A C 5156 O O . SER A 774 ? 0.6959 0.7025 0.7926 0.0267 0.0019 -0.1286 856 SER A O 5157 C CB . SER A 774 ? 0.8127 0.8356 0.9311 0.0298 -0.0107 -0.1494 856 SER A CB 5158 O OG . SER A 774 ? 0.9715 0.9794 1.0754 0.0300 -0.0086 -0.1530 856 SER A OG 5159 N N . TRP A 775 ? 0.5092 0.5004 0.5940 0.0265 0.0047 -0.1365 857 TRP A N 5160 C CA . TRP A 775 ? 0.5465 0.5197 0.6088 0.0289 0.0089 -0.1307 857 TRP A CA 5161 C C . TRP A 775 ? 0.5617 0.5341 0.6245 0.0254 0.0154 -0.1230 857 TRP A C 5162 O O . TRP A 775 ? 0.4994 0.4618 0.5481 0.0277 0.0178 -0.1169 857 TRP A O 5163 C CB . TRP A 775 ? 0.6564 0.6116 0.7006 0.0302 0.0105 -0.1349 857 TRP A CB 5164 C CG . TRP A 775 ? 0.6408 0.5938 0.6888 0.0256 0.0151 -0.1377 857 TRP A CG 5165 C CD1 . TRP A 775 ? 0.5843 0.5426 0.6427 0.0230 0.0131 -0.1456 857 TRP A CD1 5166 C CD2 . TRP A 775 ? 0.5353 0.4801 0.5772 0.0230 0.0222 -0.1329 857 TRP A CD2 5167 N NE1 . TRP A 775 ? 0.5028 0.4561 0.5613 0.0187 0.0190 -0.1459 857 TRP A NE1 5168 C CE2 . TRP A 775 ? 0.5336 0.4789 0.5823 0.0188 0.0244 -0.1382 857 TRP A CE2 5169 C CE3 . TRP A 775 ? 0.4383 0.3759 0.4702 0.0240 0.0266 -0.1250 857 TRP A CE3 5170 C CZ2 . TRP A 775 ? 0.5901 0.5290 0.6359 0.0158 0.0310 -0.1356 857 TRP A CZ2 5171 C CZ3 . TRP A 775 ? 0.4688 0.4011 0.4987 0.0211 0.0325 -0.1226 857 TRP A CZ3 5172 C CH2 . TRP A 775 ? 0.5435 0.4764 0.5803 0.0171 0.0348 -0.1278 857 TRP A CH2 5173 N N . VAL A 776 ? 0.6280 0.6106 0.7070 0.0197 0.0185 -0.1235 858 VAL A N 5174 C CA . VAL A 776 ? 0.5810 0.5637 0.6617 0.0159 0.0245 -0.1166 858 VAL A CA 5175 C C . VAL A 776 ? 0.5491 0.5393 0.6344 0.0157 0.0230 -0.1107 858 VAL A C 5176 O O . VAL A 776 ? 0.4740 0.4566 0.5487 0.0165 0.0259 -0.1043 858 VAL A O 5177 C CB . VAL A 776 ? 0.4001 0.3915 0.4970 0.0093 0.0287 -0.1185 858 VAL A CB 5178 C CG1 . VAL A 776 ? 0.2986 0.2910 0.3981 0.0051 0.0344 -0.1113 858 VAL A CG1 5179 C CG2 . VAL A 776 ? 0.3475 0.3288 0.4374 0.0091 0.0313 -0.1236 858 VAL A CG2 5180 N N . GLU A 777 ? 0.4592 0.4639 0.5600 0.0147 0.0183 -0.1133 859 GLU A N 5181 C CA . GLU A 777 ? 0.4272 0.4381 0.5317 0.0145 0.0163 -0.1085 859 GLU A CA 5182 C C . GLU A 777 ? 0.4465 0.4471 0.5337 0.0205 0.0140 -0.1051 859 GLU A C 5183 O O . GLU A 777 ? 0.4937 0.4925 0.5765 0.0204 0.0151 -0.0992 859 GLU A O 5184 C CB . GLU A 777 ? 0.5760 0.6029 0.6988 0.0131 0.0109 -0.1128 859 GLU A CB 5185 C CG . GLU A 777 ? 0.7724 0.8103 0.9136 0.0065 0.0139 -0.1152 859 GLU A CG 5186 C CD . GLU A 777 ? 0.8563 0.9087 1.0140 0.0048 0.0092 -0.1180 859 GLU A CD 5187 O OE1 . GLU A 777 ? 0.8448 0.9073 1.0184 0.0014 0.0093 -0.1233 859 GLU A OE1 5188 O OE2 . GLU A 777 ? 0.8184 0.8714 0.9726 0.0068 0.0057 -0.1150 859 GLU A OE2 5189 N N . GLU A 778 ? 0.5212 0.5145 0.5982 0.0255 0.0110 -0.1091 860 GLU A N 5190 C CA . GLU A 778 ? 0.5873 0.5694 0.6469 0.0312 0.0096 -0.1063 860 GLU A CA 5191 C C . GLU A 778 ? 0.5292 0.4957 0.5715 0.0318 0.0162 -0.1005 860 GLU A C 5192 O O . GLU A 778 ? 0.4379 0.3963 0.4678 0.0350 0.0172 -0.0957 860 GLU A O 5193 C CB . GLU A 778 ? 0.6247 0.6026 0.6780 0.0359 0.0049 -0.1126 860 GLU A CB 5194 C CG . GLU A 778 ? 0.8170 0.8103 0.8861 0.0370 -0.0030 -0.1183 860 GLU A CG 5195 C CD . GLU A 778 ? 1.0559 1.0450 1.1181 0.0422 -0.0086 -0.1245 860 GLU A CD 5196 O OE1 . GLU A 778 ? 1.1844 1.1857 1.2590 0.0440 -0.0158 -0.1297 860 GLU A OE1 5197 O OE2 . GLU A 778 ? 1.0814 1.0545 1.1256 0.0443 -0.0058 -0.1245 860 GLU A OE2 5198 N N . LEU A 779 ? 0.5427 0.5049 0.5842 0.0290 0.0207 -0.1010 861 LEU A N 5199 C CA . LEU A 779 ? 0.4370 0.3858 0.4636 0.0299 0.0263 -0.0959 861 LEU A CA 5200 C C . LEU A 779 ? 0.4387 0.3939 0.4725 0.0262 0.0289 -0.0895 861 LEU A C 5201 O O . LEU A 779 ? 0.4343 0.3817 0.4568 0.0284 0.0311 -0.0842 861 LEU A O 5202 C CB . LEU A 779 ? 0.3807 0.3229 0.4043 0.0283 0.0296 -0.0992 861 LEU A CB 5203 C CG . LEU A 779 ? 0.5175 0.4460 0.5257 0.0302 0.0342 -0.0953 861 LEU A CG 5204 C CD1 . LEU A 779 ? 0.6154 0.5280 0.6015 0.0373 0.0332 -0.0944 861 LEU A CD1 5205 C CD2 . LEU A 779 ? 0.2312 0.1552 0.2393 0.0280 0.0372 -0.0991 861 LEU A CD2 5206 N N . LEU A 780 ? 0.4496 0.4191 0.5022 0.0206 0.0287 -0.0902 862 LEU A N 5207 C CA . LEU A 780 ? 0.4113 0.3870 0.4716 0.0162 0.0311 -0.0846 862 LEU A CA 5208 C C . LEU A 780 ? 0.3630 0.3388 0.4186 0.0189 0.0283 -0.0809 862 LEU A C 5209 O O . LEU A 780 ? 0.3552 0.3266 0.4046 0.0187 0.0309 -0.0753 862 LEU A O 5210 C CB . LEU A 780 ? 0.4716 0.4615 0.5519 0.0100 0.0310 -0.0870 862 LEU A CB 5211 C CG . LEU A 780 ? 0.5419 0.5326 0.6289 0.0043 0.0368 -0.0863 862 LEU A CG 5212 C CD1 . LEU A 780 ? 0.4579 0.4440 0.5400 0.0021 0.0413 -0.0792 862 LEU A CD1 5213 C CD2 . LEU A 780 ? 0.6998 0.6824 0.7800 0.0060 0.0389 -0.0904 862 LEU A CD2 5214 N N . THR A 781 ? 0.1492 0.1305 0.2086 0.0213 0.0229 -0.0842 863 THR A N 5215 C CA . THR A 781 ? 0.4124 0.3941 0.4682 0.0238 0.0201 -0.0811 863 THR A CA 5216 C C . THR A 781 ? 0.4435 0.4104 0.4793 0.0292 0.0221 -0.0774 863 THR A C 5217 O O . THR A 781 ? 0.4504 0.4146 0.4809 0.0302 0.0229 -0.0726 863 THR A O 5218 C CB . THR A 781 ? 0.2722 0.2628 0.3362 0.0257 0.0135 -0.0862 863 THR A CB 5219 O OG1 . THR A 781 ? 0.4402 0.4322 0.5024 0.0273 0.0112 -0.0831 863 THR A OG1 5220 C CG2 . THR A 781 ? 0.2822 0.2666 0.3376 0.0310 0.0108 -0.0908 863 THR A CG2 5221 N N . LEU A 782 ? 0.5211 0.4776 0.5454 0.0327 0.0232 -0.0799 864 LEU A N 5222 C CA . LEU A 782 ? 0.5175 0.4581 0.5217 0.0381 0.0258 -0.0769 864 LEU A CA 5223 C C . LEU A 782 ? 0.4977 0.4329 0.4952 0.0379 0.0296 -0.0717 864 LEU A C 5224 O O . LEU A 782 ? 0.4743 0.4021 0.4601 0.0418 0.0302 -0.0678 864 LEU A O 5225 C CB . LEU A 782 ? 0.4489 0.3789 0.4424 0.0412 0.0263 -0.0817 864 LEU A CB 5226 C CG . LEU A 782 ? 0.4543 0.3659 0.4262 0.0459 0.0306 -0.0792 864 LEU A CG 5227 C CD1 . LEU A 782 ? 0.4681 0.3806 0.4399 0.0469 0.0303 -0.0777 864 LEU A CD1 5228 C CD2 . LEU A 782 ? 0.4831 0.3843 0.4460 0.0470 0.0321 -0.0848 864 LEU A CD2 5229 N N . HIS A 783 ? 0.4925 0.4330 0.4994 0.0331 0.0317 -0.0721 865 HIS A N 5230 C CA . HIS A 783 ? 0.4439 0.3824 0.4492 0.0315 0.0354 -0.0681 865 HIS A CA 5231 C C . HIS A 783 ? 0.4020 0.3507 0.4208 0.0249 0.0372 -0.0639 865 HIS A C 5232 O O . HIS A 783 ? 0.1567 0.1063 0.1798 0.0205 0.0416 -0.0611 865 HIS A O 5233 C CB . HIS A 783 ? 0.3469 0.2811 0.3511 0.0302 0.0385 -0.0706 865 HIS A CB 5234 C CG . HIS A 783 ? 0.4473 0.3691 0.4353 0.0371 0.0369 -0.0743 865 HIS A CG 5235 N ND1 . HIS A 783 ? 0.4581 0.3741 0.4376 0.0405 0.0376 -0.0733 865 HIS A ND1 5236 C CD2 . HIS A 783 ? 0.4690 0.3838 0.4492 0.0405 0.0348 -0.0794 865 HIS A CD2 5237 C CE1 . HIS A 783 ? 0.4481 0.3553 0.4158 0.0466 0.0346 -0.0786 865 HIS A CE1 5238 N NE2 . HIS A 783 ? 0.4466 0.3497 0.4108 0.0471 0.0334 -0.0813 865 HIS A NE2 5239 N N . ARG A 784 ? 0.3134 0.2689 0.3383 0.0242 0.0341 -0.0635 866 ARG A N 5240 C CA . ARG A 784 ? 0.1378 0.1011 0.1726 0.0190 0.0352 -0.0596 866 ARG A CA 5241 C C . ARG A 784 ? 0.3704 0.3281 0.3972 0.0200 0.0374 -0.0545 866 ARG A C 5242 O O . ARG A 784 ? 0.4742 0.4243 0.4888 0.0258 0.0363 -0.0545 866 ARG A O 5243 C CB . ARG A 784 ? 0.2287 0.1994 0.2701 0.0191 0.0308 -0.0610 866 ARG A CB 5244 N N . ALA A 785 ? 0.3035 0.2650 0.3375 0.0143 0.0407 -0.0505 867 ALA A N 5245 C CA . ALA A 785 ? 0.3133 0.2704 0.3419 0.0140 0.0437 -0.0456 867 ALA A CA 5246 C C . ALA A 785 ? 0.2979 0.2606 0.3347 0.0086 0.0450 -0.0417 867 ALA A C 5247 O O . ALA A 785 ? 0.3051 0.2747 0.3520 0.0045 0.0444 -0.0426 867 ALA A O 5248 C CB . ALA A 785 ? 0.2831 0.2340 0.3078 0.0129 0.0488 -0.0441 867 ALA A CB 5249 N N . ARG A 786 ? 0.2290 0.1885 0.2614 0.0086 0.0468 -0.0375 868 ARG A N 5250 C CA . ARG A 786 ? 0.2263 0.1894 0.2649 0.0036 0.0485 -0.0336 868 ARG A CA 5251 C C . ARG A 786 ? 0.2635 0.2267 0.3073 -0.0017 0.0532 -0.0314 868 ARG A C 5252 O O . ARG A 786 ? 0.2160 0.1743 0.2561 -0.0012 0.0563 -0.0314 868 ARG A O 5253 C CB . ARG A 786 ? 0.1514 0.1101 0.1839 0.0047 0.0502 -0.0297 868 ARG A CB 5254 C CG . ARG A 786 ? 0.1133 0.0696 0.1383 0.0106 0.0464 -0.0314 868 ARG A CG 5255 C CD . ARG A 786 ? 0.2689 0.2211 0.2894 0.0104 0.0492 -0.0271 868 ARG A CD 5256 N NE . ARG A 786 ? 0.1188 0.0653 0.1363 0.0083 0.0551 -0.0234 868 ARG A NE 5257 C CZ . ARG A 786 ? 0.3324 0.2749 0.3470 0.0068 0.0591 -0.0187 868 ARG A CZ 5258 N NH1 . ARG A 786 ? 0.4320 0.3757 0.4467 0.0070 0.0580 -0.0173 868 ARG A NH1 5259 N NH2 . ARG A 786 ? 0.2854 0.2223 0.2972 0.0053 0.0646 -0.0155 868 ARG A NH2 5260 N N . VAL A 787 ? 0.1871 0.1552 0.2388 -0.0064 0.0538 -0.0296 869 VAL A N 5261 C CA . VAL A 787 ? 0.1602 0.1276 0.2160 -0.0111 0.0583 -0.0270 869 VAL A CA 5262 C C . VAL A 787 ? 0.2001 0.1605 0.2492 -0.0111 0.0627 -0.0224 869 VAL A C 5263 O O . VAL A 787 ? 0.2757 0.2322 0.3239 -0.0127 0.0670 -0.0206 869 VAL A O 5264 C CB . VAL A 787 ? 0.2148 0.1882 0.2788 -0.0154 0.0573 -0.0261 869 VAL A CB 5265 C CG1 . VAL A 787 ? 0.1676 0.1398 0.2280 -0.0154 0.0571 -0.0236 869 VAL A CG1 5266 C CG2 . VAL A 787 ? 0.2273 0.2076 0.2984 -0.0156 0.0533 -0.0306 869 VAL A CG2 5267 N N . THR A 788 ? 0.2133 0.1719 0.2579 -0.0091 0.0618 -0.0207 870 THR A N 5268 C CA . THR A 788 ? 0.2385 0.1904 0.2770 -0.0088 0.0660 -0.0164 870 THR A CA 5269 C C . THR A 788 ? 0.3726 0.3177 0.4035 -0.0056 0.0685 -0.0171 870 THR A C 5270 O O . THR A 788 ? 0.3888 0.3281 0.4164 -0.0064 0.0734 -0.0139 870 THR A O 5271 C CB . THR A 788 ? 0.3099 0.2612 0.3450 -0.0070 0.0646 -0.0149 870 THR A CB 5272 O OG1 . THR A 788 ? 0.3329 0.2901 0.3746 -0.0099 0.0624 -0.0146 870 THR A OG1 5273 C CG2 . THR A 788 ? 0.3495 0.2939 0.3790 -0.0071 0.0696 -0.0104 870 THR A CG2 5274 N N . ASP A 789 ? 0.4096 0.3549 0.4374 -0.0015 0.0650 -0.0214 871 ASP A N 5275 C CA . ASP A 789 ? 0.4594 0.3982 0.4796 0.0020 0.0667 -0.0231 871 ASP A CA 5276 C C . ASP A 789 ? 0.3945 0.3316 0.4171 -0.0006 0.0705 -0.0231 871 ASP A C 5277 O O . ASP A 789 ? 0.4939 0.4237 0.5104 0.0004 0.0748 -0.0215 871 ASP A O 5278 C CB . ASP A 789 ? 0.4629 0.4032 0.4804 0.0069 0.0613 -0.0287 871 ASP A CB 5279 C CG . ASP A 789 ? 0.4936 0.4332 0.5060 0.0107 0.0582 -0.0287 871 ASP A CG 5280 O OD1 . ASP A 789 ? 0.4862 0.4235 0.4968 0.0094 0.0608 -0.0243 871 ASP A OD1 5281 O OD2 . ASP A 789 ? 0.5304 0.4714 0.5405 0.0152 0.0531 -0.0333 871 ASP A OD2 5282 N N . VAL A 790 ? 0.2847 0.2282 0.3161 -0.0038 0.0691 -0.0248 872 VAL A N 5283 C CA . VAL A 790 ? 0.2862 0.2285 0.3207 -0.0067 0.0728 -0.0247 872 VAL A CA 5284 C C . VAL A 790 ? 0.2859 0.2242 0.3199 -0.0097 0.0780 -0.0192 872 VAL A C 5285 O O . VAL A 790 ? 0.3376 0.2701 0.3684 -0.0098 0.0826 -0.0180 872 VAL A O 5286 C CB . VAL A 790 ? 0.3487 0.2989 0.3933 -0.0099 0.0704 -0.0274 872 VAL A CB 5287 C CG1 . VAL A 790 ? 0.1177 0.0662 0.1655 -0.0130 0.0749 -0.0270 872 VAL A CG1 5288 C CG2 . VAL A 790 ? 0.1172 0.0713 0.1628 -0.0068 0.0654 -0.0331 872 VAL A CG2 5289 N N . GLU A 791 ? 0.2607 0.2020 0.2977 -0.0117 0.0772 -0.0162 873 GLU A N 5290 C CA . GLU A 791 ? 0.2578 0.1984 0.2917 -0.0111 0.0765 -0.0125 873 GLU A CA 5291 C C . GLU A 791 ? 0.2821 0.2140 0.3085 -0.0092 0.0816 -0.0097 873 GLU A C 5292 O O . GLU A 791 ? 0.2556 0.1843 0.2794 -0.0084 0.0835 -0.0080 873 GLU A O 5293 C CB . GLU A 791 ? 0.1590 0.1061 0.1945 -0.0107 0.0706 -0.0113 873 GLU A CB 5294 C CG . GLU A 791 ? 0.1918 0.1467 0.2328 -0.0119 0.0653 -0.0131 873 GLU A CG 5295 C CD . GLU A 791 ? 0.2716 0.2311 0.3122 -0.0114 0.0603 -0.0115 873 GLU A CD 5296 O OE1 . GLU A 791 ? 0.2135 0.1717 0.2517 -0.0105 0.0604 -0.0102 873 GLU A OE1 5297 O OE2 . GLU A 791 ? 0.4447 0.4084 0.4869 -0.0119 0.0567 -0.0115 873 GLU A OE2 5298 N N . LEU A 792 ? 0.3352 0.2627 0.3578 -0.0081 0.0839 -0.0093 874 LEU A N 5299 C CA . LEU A 792 ? 0.3156 0.2346 0.3295 -0.0054 0.0880 -0.0066 874 LEU A CA 5300 C C . LEU A 792 ? 0.3281 0.2403 0.3362 -0.0032 0.0913 -0.0079 874 LEU A C 5301 O O . LEU A 792 ? 0.2132 0.1178 0.2159 -0.0022 0.0964 -0.0048 874 LEU A O 5302 C CB . LEU A 792 ? 0.2059 0.1243 0.2149 -0.0020 0.0852 -0.0075 874 LEU A CB 5303 C CG . LEU A 792 ? 0.3373 0.2533 0.3443 -0.0024 0.0874 -0.0031 874 LEU A CG 5304 C CD1 . LEU A 792 ? 0.5119 0.4371 0.5257 -0.0039 0.0818 -0.0028 874 LEU A CD1 5305 C CD2 . LEU A 792 ? 0.3380 0.2556 0.3420 0.0004 0.0836 -0.0046 874 LEU A CD2 5306 N N . ILE A 793 ? 0.3217 0.2364 0.3311 -0.0023 0.0885 -0.0127 875 ILE A N 5307 C CA . ILE A 793 ? 0.2846 0.1928 0.2881 0.0002 0.0911 -0.0151 875 ILE A CA 5308 C C . ILE A 793 ? 0.3407 0.2478 0.3478 -0.0027 0.0947 -0.0146 875 ILE A C 5309 O O . ILE A 793 ? 0.4126 0.3129 0.4144 -0.0010 0.0982 -0.0156 875 ILE A O 5310 C CB . ILE A 793 ? 0.3370 0.2475 0.3390 0.0035 0.0860 -0.0214 875 ILE A CB 5311 C CG1 . ILE A 793 ? 0.3221 0.2235 0.3141 0.0076 0.0883 -0.0237 875 ILE A CG1 5312 C CG2 . ILE A 793 ? 0.4244 0.3424 0.4354 0.0008 0.0831 -0.0249 875 ILE A CG2 5313 C CD1 . ILE A 793 ? 0.2565 0.1592 0.2457 0.0116 0.0829 -0.0302 875 ILE A CD1 5314 N N . THR A 794 ? 0.3480 0.2613 0.3637 -0.0069 0.0941 -0.0130 876 THR A N 5315 C CA . THR A 794 ? 0.4063 0.3187 0.4256 -0.0096 0.0977 -0.0122 876 THR A CA 5316 C C . THR A 794 ? 0.3744 0.2887 0.3936 -0.0089 0.0959 -0.0086 876 THR A C 5317 O O . THR A 794 ? 0.4540 0.3666 0.4730 -0.0089 0.0975 -0.0079 876 THR A O 5318 C CB . THR A 794 ? 0.3847 0.3053 0.4130 -0.0125 0.0944 -0.0155 876 THR A CB 5319 O OG1 . THR A 794 ? 0.3782 0.3077 0.4113 -0.0131 0.0879 -0.0150 876 THR A OG1 5320 C CG2 . THR A 794 ? 0.1505 0.0728 0.1780 -0.0100 0.0908 -0.0214 876 THR A CG2 5321 N N . GLY A 795 ? 0.3604 0.2787 0.3796 -0.0079 0.0918 -0.0068 877 GLY A N 5322 C CA . GLY A 795 ? 0.4237 0.3450 0.4433 -0.0069 0.0888 -0.0044 877 GLY A CA 5323 C C . GLY A 795 ? 0.4958 0.4251 0.5208 -0.0083 0.0835 -0.0052 877 GLY A C 5324 O O . GLY A 795 ? 0.4081 0.3376 0.4330 -0.0078 0.0832 -0.0038 877 GLY A O 5325 N N . LEU A 796 ? 0.4903 0.4255 0.5196 -0.0098 0.0797 -0.0075 878 LEU A N 5326 C CA . LEU A 796 ? 0.3168 0.2589 0.3502 -0.0108 0.0747 -0.0083 878 LEU A CA 5327 C C . LEU A 796 ? 0.2540 0.2026 0.2893 -0.0110 0.0690 -0.0084 878 LEU A C 5328 O O . LEU A 796 ? 0.2878 0.2360 0.3227 -0.0107 0.0692 -0.0088 878 LEU A O 5329 C CB . LEU A 796 ? 0.1155 0.0586 0.1525 -0.0125 0.0758 -0.0111 878 LEU A CB 5330 C CG . LEU A 796 ? 0.2303 0.1665 0.2656 -0.0127 0.0821 -0.0116 878 LEU A CG 5331 C CD1 . LEU A 796 ? 0.2816 0.2197 0.3217 -0.0148 0.0830 -0.0150 878 LEU A CD1 5332 C CD2 . LEU A 796 ? 0.1289 0.0629 0.1618 -0.0117 0.0831 -0.0091 878 LEU A CD2 5333 N N . SER A 797 ? 0.2816 0.2353 0.3185 -0.0112 0.0646 -0.0080 879 SER A N 5334 C CA . SER A 797 ? 0.2062 0.1654 0.2444 -0.0113 0.0595 -0.0082 879 SER A CA 5335 C C . SER A 797 ? 0.3176 0.2817 0.3589 -0.0123 0.0561 -0.0096 879 SER A C 5336 O O . SER A 797 ? 0.4441 0.4086 0.4853 -0.0124 0.0557 -0.0091 879 SER A O 5337 C CB . SER A 797 ? 0.2414 0.2013 0.2775 -0.0104 0.0576 -0.0060 879 SER A CB 5338 O OG . SER A 797 ? 0.0996 0.0509 0.1463 -0.0086 0.0697 -0.0119 879 SER A OG 5339 N N . PHE A 798 ? 0.0810 0.0483 0.1249 -0.0128 0.0541 -0.0115 880 PHE A N 5340 C CA . PHE A 798 ? 0.2280 0.1994 0.2749 -0.0137 0.0514 -0.0130 880 PHE A CA 5341 C C . PHE A 798 ? 0.1605 0.1258 0.2035 -0.0099 0.0451 -0.0157 880 PHE A C 5342 O O . PHE A 798 ? 0.0809 0.0619 0.1266 -0.0086 0.0485 -0.0135 880 PHE A O 5343 C CB . PHE A 798 ? 0.1832 0.1557 0.2344 -0.0146 0.0525 -0.0161 880 PHE A CB 5344 C CG . PHE A 798 ? 0.2371 0.2053 0.2890 -0.0151 0.0575 -0.0173 880 PHE A CG 5345 C CD1 . PHE A 798 ? 0.2220 0.1889 0.2749 -0.0159 0.0595 -0.0179 880 PHE A CD1 5346 C CD2 . PHE A 798 ? 0.2803 0.2450 0.3314 -0.0149 0.0606 -0.0178 880 PHE A CD2 5347 C CE1 . PHE A 798 ? 0.0947 0.0571 0.1482 -0.0165 0.0647 -0.0193 880 PHE A CE1 5348 C CE2 . PHE A 798 ? 0.4882 0.4480 0.5393 -0.0154 0.0660 -0.0190 880 PHE A CE2 5349 C CZ . PHE A 798 ? 0.5676 0.5263 0.6200 -0.0163 0.0680 -0.0198 880 PHE A CZ 5350 N N . TYR A 799 ? 0.1316 0.1145 0.1811 -0.0095 0.0485 -0.0155 881 TYR A N 5351 C CA . TYR A 799 ? 0.2036 0.1890 0.2543 -0.0093 0.0460 -0.0158 881 TYR A CA 5352 C C . TYR A 799 ? 0.2993 0.2687 0.3436 -0.0094 0.0416 -0.0156 881 TYR A C 5353 O O . TYR A 799 ? 0.5152 0.4866 0.5598 -0.0092 0.0397 -0.0157 881 TYR A O 5354 C CB . TYR A 799 ? 0.2013 0.1893 0.2534 -0.0095 0.0437 -0.0168 881 TYR A CB 5355 C CG . TYR A 799 ? 0.0621 0.0464 0.1169 -0.0144 0.0417 -0.0174 881 TYR A CG 5356 C CD1 . TYR A 799 ? 0.3451 0.3195 0.3971 -0.0119 0.0405 -0.0217 881 TYR A CD1 5357 C CD2 . TYR A 799 ? 0.1725 0.1571 0.2298 -0.0144 0.0424 -0.0192 881 TYR A CD2 5358 C CE1 . TYR A 799 ? 0.2448 0.2308 0.3066 -0.0160 0.0436 -0.0216 881 TYR A CE1 5359 C CE2 . TYR A 799 ? 0.2194 0.2052 0.2818 -0.0152 0.0436 -0.0224 881 TYR A CE2 5360 C CZ . TYR A 799 ? 0.2176 0.2044 0.2824 -0.0160 0.0440 -0.0238 881 TYR A CZ 5361 O OH . TYR A 799 ? 0.2740 0.2627 0.3447 -0.0168 0.0450 -0.0276 881 TYR A OH 5362 N N . GLN A 800 ? 0.2529 0.2346 0.2996 -0.0081 0.0477 -0.0130 882 GLN A N 5363 C CA . GLN A 800 ? 0.3606 0.3265 0.4020 -0.0081 0.0434 -0.0128 882 GLN A CA 5364 C C . GLN A 800 ? 0.4931 0.4606 0.5353 -0.0081 0.0421 -0.0130 882 GLN A C 5365 O O . GLN A 800 ? 0.4888 0.4571 0.5460 -0.0096 0.0561 -0.0157 882 GLN A O 5366 C CB . GLN A 800 ? 0.4453 0.4076 0.4850 -0.0074 0.0459 -0.0113 882 GLN A CB 5367 C CG . GLN A 800 ? 0.4333 0.4093 0.4751 -0.0065 0.0516 -0.0097 882 GLN A CG 5368 C CD . GLN A 800 ? 0.4615 0.4348 0.5016 -0.0056 0.0538 -0.0081 882 GLN A CD 5369 O OE1 . GLN A 800 ? 0.5512 0.5082 0.5881 -0.0057 0.0493 -0.0082 882 GLN A OE1 5370 N NE2 . GLN A 800 ? 0.4396 0.3910 0.4876 -0.0071 0.0695 -0.0100 882 GLN A NE2 5371 N N . ASP A 801 ? 0.5853 0.5528 0.6285 -0.0085 0.0425 -0.0139 883 ASP A N 5372 C CA . ASP A 801 ? 0.4796 0.4484 0.5393 -0.0106 0.0571 -0.0176 883 ASP A CA 5373 C C . ASP A 801 ? 0.3633 0.3496 0.4132 -0.0083 0.0436 -0.0143 883 ASP A C 5374 O O . ASP A 801 ? 0.2842 0.2566 0.3302 -0.0091 0.0392 -0.0159 883 ASP A O 5375 C CB . ASP A 801 ? 0.4468 0.4286 0.4947 -0.0079 0.0479 -0.0128 883 ASP A CB 5376 C CG . ASP A 801 ? 0.4558 0.4347 0.5016 -0.0072 0.0501 -0.0112 883 ASP A CG 5377 O OD1 . ASP A 801 ? 0.4491 0.4279 0.4939 -0.0066 0.0495 -0.0103 883 ASP A OD1 5378 O OD2 . ASP A 801 ? 0.5730 0.5498 0.6185 -0.0073 0.0526 -0.0111 883 ASP A OD2 5379 N N . ARG A 802 ? 0.3924 0.3801 0.4432 -0.0085 0.0425 -0.0150 884 ARG A N 5380 C CA . ARG A 802 ? 0.4036 0.3796 0.4518 -0.0097 0.0369 -0.0179 884 ARG A CA 5381 C C . ARG A 802 ? 0.3845 0.3758 0.4369 -0.0085 0.0388 -0.0160 884 ARG A C 5382 O O . ARG A 802 ? 0.3134 0.2901 0.3596 -0.0088 0.0353 -0.0163 884 ARG A O 5383 C CB . ARG A 802 ? 0.4756 0.4670 0.5295 -0.0091 0.0400 -0.0172 884 ARG A CB 5384 C CG . ARG A 802 ? 0.4330 0.4273 0.4898 -0.0095 0.0382 -0.0189 884 ARG A CG 5385 C CD . ARG A 802 ? 0.3698 0.3649 0.4290 -0.0100 0.0388 -0.0201 884 ARG A CD 5386 N NE . ARG A 802 ? 0.3602 0.3430 0.4164 -0.0111 0.0336 -0.0237 884 ARG A NE 5387 C CZ . ARG A 802 ? 0.3864 0.3852 0.4510 -0.0106 0.0375 -0.0230 884 ARG A CZ 5388 N NH1 . ARG A 802 ? 0.5317 0.5132 0.5900 -0.0118 0.0357 -0.0249 884 ARG A NH1 5389 N NH2 . ARG A 802 ? 0.3205 0.3218 0.3879 -0.0107 0.0360 -0.0246 884 ARG A NH2 5390 N N . GLN A 803 ? 0.3888 0.3680 0.4380 -0.0095 0.0342 -0.0186 885 GLN A N 5391 C CA . GLN A 803 ? 0.2129 0.1932 0.2618 -0.0093 0.0329 -0.0185 885 GLN A CA 5392 C C . GLN A 803 ? 0.2909 0.2755 0.3577 -0.0113 0.0434 -0.0229 885 GLN A C 5393 O O . GLN A 803 ? 0.3619 0.3567 0.4148 -0.0080 0.0343 -0.0163 885 GLN A O 5394 C CB . GLN A 803 ? 0.1967 0.1922 0.2526 -0.0088 0.0357 -0.0181 885 GLN A CB 5395 C CG . GLN A 803 ? 0.2935 0.2911 0.3521 -0.0092 0.0347 -0.0197 885 GLN A CG 5396 C CD . GLN A 803 ? 0.3171 0.3022 0.3720 -0.0102 0.0307 -0.0228 885 GLN A CD 5397 O OE1 . GLN A 803 ? 0.3812 0.3662 0.4353 -0.0100 0.0304 -0.0223 885 GLN A OE1 5398 N NE2 . GLN A 803 ? 0.3075 0.3083 0.3712 -0.0097 0.0338 -0.0225 885 GLN A NE2 5399 N N . GLU A 804 ? 0.3811 0.3767 0.4356 -0.0084 0.0345 -0.0174 886 GLU A N 5400 C CA . GLU A 804 ? 0.2693 0.2523 0.3186 -0.0089 0.0304 -0.0187 886 GLU A CA 5401 C C . GLU A 804 ? 0.3001 0.2839 0.3646 -0.0107 0.0430 -0.0214 886 GLU A C 5402 O O . GLU A 804 ? 0.2957 0.2881 0.3463 -0.0077 0.0360 -0.0149 886 GLU A O 5403 C CB . GLU A 804 ? 0.1203 0.1175 0.1759 -0.0084 0.0330 -0.0181 886 GLU A CB 5404 C CG . GLU A 804 ? 0.2890 0.2862 0.3457 -0.0088 0.0340 -0.0188 886 GLU A CG 5405 C CD . GLU A 804 ? 0.3796 0.3650 0.4337 -0.0100 0.0300 -0.0225 886 GLU A CD 5406 O OE1 . GLU A 804 ? 0.4124 0.4093 0.4739 -0.0130 0.0300 -0.0213 886 GLU A OE1 5407 O OE2 . GLU A 804 ? 0.2953 0.2803 0.3499 -0.0102 0.0307 -0.0227 886 GLU A OE2 5408 N N . SER A 805 ? 0.0580 0.0422 0.1221 -0.0104 0.0422 -0.0209 887 SER A N 5409 C CA . SER A 805 ? 0.3502 0.3320 0.4122 -0.0099 0.0436 -0.0192 887 SER A CA 5410 C C . SER A 805 ? 0.4498 0.4276 0.4939 -0.0078 0.0332 -0.0146 887 SER A C 5411 O O . SER A 805 ? 0.6218 0.6132 0.6707 -0.0074 0.0363 -0.0140 887 SER A O 5412 C CB . SER A 805 ? 0.3125 0.2929 0.3582 -0.0077 0.0312 -0.0153 887 SER A CB 5413 O OG . SER A 805 ? 0.1318 0.1127 0.1777 -0.0078 0.0308 -0.0156 887 SER A OG 5414 N N . VAL A 806 ? 0.4159 0.4048 0.4629 -0.0068 0.0379 -0.0122 888 VAL A N 5415 C CA . VAL A 806 ? 0.3634 0.3369 0.4048 -0.0072 0.0363 -0.0125 888 VAL A CA 5416 C C . VAL A 806 ? 0.4438 0.4308 0.4888 -0.0067 0.0394 -0.0115 888 VAL A C 5417 O O . VAL A 806 ? 0.4403 0.4267 0.4847 -0.0068 0.0401 -0.0116 888 VAL A O 5418 C CB . VAL A 806 ? 0.2481 0.2191 0.2884 -0.0067 0.0380 -0.0111 888 VAL A CB 5419 C CG1 . VAL A 806 ? 0.2518 0.2339 0.2940 -0.0058 0.0438 -0.0093 888 VAL A CG1 5420 C CG2 . VAL A 806 ? 0.2397 0.2102 0.2804 -0.0066 0.0384 -0.0109 888 VAL A CG2 5421 N N . SER A 807 ? 0.3814 0.3693 0.4269 -0.0066 0.0385 -0.0116 889 SER A N 5422 C CA . SER A 807 ? 0.2742 0.2572 0.3192 -0.0100 0.0370 -0.0103 889 SER A CA 5423 C C . SER A 807 ? 0.2619 0.2462 0.3100 -0.0103 0.0369 -0.0125 889 SER A C 5424 O O . SER A 807 ? 0.2683 0.2509 0.3179 -0.0102 0.0391 -0.0135 889 SER A O 5425 C CB . SER A 807 ? 0.2644 0.2481 0.3101 -0.0098 0.0364 -0.0104 889 SER A CB 5426 O OG . SER A 807 ? 0.3265 0.3085 0.3738 -0.0096 0.0386 -0.0111 889 SER A OG 5427 N N . GLU A 808 ? 0.3517 0.3388 0.4013 -0.0106 0.0346 -0.0135 890 GLU A N 5428 C CA . GLU A 808 ? 0.0502 0.0390 0.1035 -0.0110 0.0343 -0.0159 890 GLU A CA 5429 C C . GLU A 808 ? 0.0519 0.0397 0.1053 -0.0113 0.0356 -0.0162 890 GLU A C 5430 O O . GLU A 808 ? 0.4309 0.4191 0.4880 -0.0115 0.0367 -0.0184 890 GLU A O 5431 C CB . GLU A 808 ? 0.2462 0.2377 0.3006 -0.0112 0.0320 -0.0165 890 GLU A CB 5432 C CG . GLU A 808 ? 0.5873 0.5797 0.6423 -0.0110 0.0310 -0.0167 890 GLU A CG 5433 C CD . GLU A 808 ? 0.8092 0.8033 0.8648 -0.0112 0.0295 -0.0172 890 GLU A CD 5434 O OE1 . GLU A 808 ? 0.6849 0.6831 0.7398 -0.0077 0.0308 -0.0172 890 GLU A OE1 5435 O OE2 . GLU A 808 ? 0.9329 0.9285 0.9913 -0.0115 0.0292 -0.0190 890 GLU A OE2 5436 N N . LEU A 809 ? 0.2143 0.2009 0.2644 -0.0113 0.0357 -0.0143 891 LEU A N 5437 C CA . LEU A 809 ? 0.2914 0.2767 0.3416 -0.0116 0.0373 -0.0145 891 LEU A CA 5438 C C . LEU A 809 ? 0.3637 0.3458 0.4137 -0.0114 0.0405 -0.0146 891 LEU A C 5439 O O . LEU A 809 ? 0.1809 0.1619 0.2328 -0.0118 0.0425 -0.0160 891 LEU A O 5440 C CB . LEU A 809 ? 0.2382 0.2273 0.2864 -0.0080 0.0393 -0.0143 891 LEU A CB 5441 C CG . LEU A 809 ? 0.2315 0.2085 0.2770 -0.0089 0.0349 -0.0164 891 LEU A CG 5442 C CD1 . LEU A 809 ? 0.2726 0.2475 0.3169 -0.0086 0.0363 -0.0153 891 LEU A CD1 5443 C CD2 . LEU A 809 ? 0.1700 0.1508 0.2353 -0.0119 0.0474 -0.0227 891 LEU A CD2 5444 N N . LEU A 810 ? 0.3087 0.2888 0.3563 -0.0108 0.0414 -0.0130 892 LEU A N 5445 C CA . LEU A 810 ? 0.2065 0.1825 0.2531 -0.0104 0.0451 -0.0127 892 LEU A CA 5446 C C . LEU A 810 ? 0.2845 0.2609 0.3352 -0.0106 0.0463 -0.0153 892 LEU A C 5447 O O . LEU A 810 ? 0.3339 0.3074 0.3853 -0.0106 0.0496 -0.0163 892 LEU A O 5448 C CB . LEU A 810 ? 0.0963 0.0701 0.1395 -0.0096 0.0458 -0.0105 892 LEU A CB 5449 C CG . LEU A 810 ? 0.2023 0.1754 0.2423 -0.0094 0.0453 -0.0083 892 LEU A CG 5450 C CD1 . LEU A 810 ? 0.3023 0.2733 0.3402 -0.0087 0.0465 -0.0067 892 LEU A CD1 5451 C CD2 . LEU A 810 ? 0.0707 0.0410 0.1094 -0.0093 0.0477 -0.0078 892 LEU A CD2 5452 N N . ARG A 811 ? 0.2158 0.1956 0.2695 -0.0107 0.0439 -0.0167 893 ARG A N 5453 C CA . ARG A 811 ? 0.3511 0.3323 0.4105 -0.0109 0.0445 -0.0199 893 ARG A CA 5454 C C . ARG A 811 ? 0.2785 0.2623 0.3425 -0.0115 0.0438 -0.0231 893 ARG A C 5455 O O . ARG A 811 ? 0.3539 0.3368 0.4142 -0.0075 0.0415 -0.0256 893 ARG A O 5456 C CB . ARG A 811 ? 0.5653 0.5501 0.6276 -0.0109 0.0415 -0.0211 893 ARG A CB 5457 C CG . ARG A 811 ? 0.6943 0.6789 0.7553 -0.0075 0.0395 -0.0235 893 ARG A CG 5458 C CD . ARG A 811 ? 0.8279 0.8167 0.8933 -0.0075 0.0365 -0.0256 893 ARG A CD 5459 N NE . ARG A 811 ? 0.8776 0.8665 0.9448 -0.0099 0.0380 -0.0235 893 ARG A NE 5460 C CZ . ARG A 811 ? 0.7856 0.7776 0.8546 -0.0106 0.0357 -0.0240 893 ARG A CZ 5461 N NH1 . ARG A 811 ? 0.6577 0.6531 0.7302 -0.0108 0.0336 -0.0264 893 ARG A NH1 5462 N NH2 . ARG A 811 ? 0.7670 0.7583 0.8332 -0.0104 0.0353 -0.0221 893 ARG A NH2 5463 N N . LEU A 812 ? 0.1515 0.1375 0.2150 -0.0121 0.0417 -0.0227 894 LEU A N 5464 C CA . LEU A 812 ? 0.1459 0.1346 0.2139 -0.0128 0.0410 -0.0256 894 LEU A CA 5465 C C . LEU A 812 ? 0.2323 0.2179 0.3001 -0.0132 0.0447 -0.0260 894 LEU A C 5466 O O . LEU A 812 ? 0.3888 0.3758 0.4590 -0.0121 0.0437 -0.0296 894 LEU A O 5467 C CB . LEU A 812 ? 0.1886 0.1791 0.2545 -0.0130 0.0386 -0.0243 894 LEU A CB 5468 C CG . LEU A 812 ? 0.0559 0.0488 0.1255 -0.0137 0.0381 -0.0267 894 LEU A CG 5469 C CD1 . LEU A 812 ? 0.0540 0.0515 0.1301 -0.0137 0.0358 -0.0306 894 LEU A CD1 5470 C CD2 . LEU A 812 ? 0.0831 0.0756 0.1489 -0.0139 0.0372 -0.0242 894 LEU A CD2 5471 N N . LYS A 813 ? 0.2393 0.2202 0.3008 -0.0128 0.0470 -0.0224 895 LYS A N 5472 C CA . LYS A 813 ? 0.3830 0.3596 0.4430 -0.0131 0.0510 -0.0223 895 LYS A CA 5473 C C . LYS A 813 ? 0.4406 0.4127 0.4946 -0.0094 0.0517 -0.0230 895 LYS A C 5474 O O . LYS A 813 ? 0.4014 0.3703 0.4516 -0.0073 0.0526 -0.0242 895 LYS A O 5475 C CB . LYS A 813 ? 0.4236 0.3971 0.4773 -0.0126 0.0516 -0.0185 895 LYS A CB 5476 C CG . LYS A 813 ? 0.3344 0.3113 0.3883 -0.0129 0.0483 -0.0180 895 LYS A CG 5477 C CD . LYS A 813 ? 0.2982 0.2721 0.3476 -0.0126 0.0495 -0.0153 895 LYS A CD 5478 C CE . LYS A 813 ? 0.2413 0.2152 0.2869 -0.0118 0.0476 -0.0126 895 LYS A CE 5479 N NZ . LYS A 813 ? 0.1538 0.1261 0.1966 -0.0115 0.0481 -0.0106 895 LYS A NZ 5480 N N . THR A 814 ? 0.4400 0.4114 0.4906 -0.0072 0.0500 -0.0222 896 THR A N 5481 C CA . THR A 814 ? 0.3526 0.3191 0.3945 -0.0021 0.0492 -0.0227 896 THR A CA 5482 C C . THR A 814 ? 0.4129 0.3818 0.4534 0.0025 0.0438 -0.0271 896 THR A C 5483 O O . THR A 814 ? 0.5064 0.4715 0.5394 0.0075 0.0422 -0.0279 896 THR A O 5484 C CB . THR A 814 ? 0.2485 0.2115 0.2864 -0.0019 0.0513 -0.0191 896 THR A CB 5485 O OG1 . THR A 814 ? 0.4352 0.4025 0.4772 -0.0029 0.0488 -0.0195 896 THR A OG1 5486 C CG2 . THR A 814 ? 0.2689 0.2288 0.3075 -0.0059 0.0568 -0.0148 896 THR A CG2 5487 N N . HIS A 815 ? 0.4025 0.3774 0.4503 0.0010 0.0412 -0.0300 897 HIS A N 5488 C CA . HIS A 815 ? 0.3270 0.3047 0.3747 0.0049 0.0362 -0.0340 897 HIS A CA 5489 C C . HIS A 815 ? 0.2713 0.2478 0.3163 0.0084 0.0344 -0.0377 897 HIS A C 5490 O O . HIS A 815 ? 0.3336 0.3105 0.3816 0.0061 0.0366 -0.0383 897 HIS A O 5491 C CB . HIS A 815 ? 0.3627 0.3477 0.4204 0.0012 0.0344 -0.0355 897 HIS A CB 5492 C CG . HIS A 815 ? 0.3342 0.3224 0.3932 0.0046 0.0296 -0.0396 897 HIS A CG 5493 N ND1 . HIS A 815 ? 0.3417 0.3284 0.3962 0.0084 0.0270 -0.0398 897 HIS A ND1 5494 C CD2 . HIS A 815 ? 0.2106 0.2034 0.2754 0.0046 0.0273 -0.0436 897 HIS A CD2 5495 C CE1 . HIS A 815 ? 0.2452 0.2352 0.3022 0.0107 0.0233 -0.0437 897 HIS A CE1 5496 N NE2 . HIS A 815 ? 0.2224 0.2167 0.2864 0.0083 0.0232 -0.0462 897 HIS A NE2 5497 N N . LEU A 816 ? 0.3259 0.3003 0.3647 0.0143 0.0307 -0.0402 898 LEU A N 5498 C CA . LEU A 816 ? 0.2894 0.2628 0.3258 0.0179 0.0285 -0.0442 898 LEU A CA 5499 C C . LEU A 816 ? 0.2741 0.2501 0.3114 0.0211 0.0241 -0.0474 898 LEU A C 5500 O O . LEU A 816 ? 0.3598 0.3332 0.3920 0.0240 0.0229 -0.0461 898 LEU A O 5501 C CB . LEU A 816 ? 0.3573 0.3218 0.3811 0.0233 0.0294 -0.0439 898 LEU A CB 5502 C CG . LEU A 816 ? 0.4017 0.3638 0.4253 0.0210 0.0332 -0.0431 898 LEU A CG 5503 C CD1 . LEU A 816 ? 0.3100 0.2638 0.3216 0.0270 0.0330 -0.0441 898 LEU A CD1 5504 C CD2 . LEU A 816 ? 0.3704 0.3373 0.4026 0.0178 0.0334 -0.0461 898 LEU A CD2 5505 N N . PRO A 817 ? 0.3609 0.3423 0.4056 0.0203 0.0219 -0.0517 899 PRO A N 5506 C CA . PRO A 817 ? 0.3538 0.3394 0.4020 0.0227 0.0173 -0.0556 899 PRO A CA 5507 C C . PRO A 817 ? 0.4056 0.3834 0.4422 0.0293 0.0161 -0.0567 899 PRO A C 5508 O O . PRO A 817 ? 0.5198 0.4904 0.5480 0.0316 0.0183 -0.0564 899 PRO A O 5509 C CB . PRO A 817 ? 0.2780 0.2723 0.3389 0.0191 0.0158 -0.0601 899 PRO A CB 5510 C CG . PRO A 817 ? 0.4422 0.4326 0.5005 0.0176 0.0198 -0.0590 899 PRO A CG 5511 C CD . PRO A 817 ? 0.4591 0.4439 0.5109 0.0165 0.0237 -0.0534 899 PRO A CD 5512 N N . ILE A 818 ? 0.2498 0.2285 0.2857 0.0323 0.0128 -0.0580 900 ILE A N 5513 C CA . ILE A 818 ? 0.2744 0.2464 0.3010 0.0379 0.0116 -0.0593 900 ILE A CA 5514 C C . ILE A 818 ? 0.2823 0.2610 0.3158 0.0394 0.0062 -0.0656 900 ILE A C 5515 O O . ILE A 818 ? 0.3092 0.2984 0.3547 0.0376 0.0017 -0.0693 900 ILE A O 5516 C CB . ILE A 818 ? 0.2886 0.2583 0.3114 0.0406 0.0105 -0.0577 900 ILE A CB 5517 C CG1 . ILE A 818 ? 0.3652 0.3241 0.3766 0.0413 0.0168 -0.0517 900 ILE A CG1 5518 C CG2 . ILE A 818 ? 0.3039 0.2728 0.3238 0.0456 0.0061 -0.0614 900 ILE A CG2 5519 C CD1 . ILE A 818 ? 0.5516 0.5130 0.5658 0.0374 0.0186 -0.0483 900 ILE A CD1 5520 N N . PHE A 819 ? 0.3013 0.2736 0.3271 0.0426 0.0068 -0.0671 901 PHE A N 5521 C CA . PHE A 819 ? 0.4217 0.3997 0.4527 0.0447 0.0011 -0.0735 901 PHE A CA 5522 C C . PHE A 819 ? 0.6615 0.6433 0.6934 0.0490 -0.0055 -0.0763 901 PHE A C 5523 O O . PHE A 819 ? 0.6982 0.6727 0.7202 0.0525 -0.0049 -0.0737 901 PHE A O 5524 C CB . PHE A 819 ? 0.5236 0.4924 0.5445 0.0474 0.0034 -0.0745 901 PHE A CB 5525 C CG . PHE A 819 ? 0.6430 0.6071 0.6619 0.0440 0.0095 -0.0725 901 PHE A CG 5526 C CD1 . PHE A 819 ? 0.7891 0.7611 0.8188 0.0388 0.0103 -0.0719 901 PHE A CD1 5527 C CD2 . PHE A 819 ? 0.4746 0.4262 0.4807 0.0459 0.0143 -0.0715 901 PHE A CD2 5528 C CE1 . PHE A 819 ? 0.6818 0.6501 0.7097 0.0362 0.0151 -0.0702 901 PHE A CE1 5529 C CE2 . PHE A 819 ? 0.4330 0.3794 0.4356 0.0436 0.0194 -0.0697 901 PHE A CE2 5530 C CZ . PHE A 819 ? 0.5460 0.5014 0.5597 0.0391 0.0191 -0.0691 901 PHE A CZ 5531 N N . SER A 820 ? 0.7680 0.7612 0.8121 0.0488 -0.0118 -0.0818 902 SER A N 5532 C CA . SER A 820 ? 0.8511 0.8489 0.8970 0.0532 -0.0189 -0.0853 902 SER A CA 5533 C C . SER A 820 ? 0.9456 0.9409 0.9881 0.0536 -0.0179 -0.0813 902 SER A C 5534 O O . SER A 820 ? 1.0247 1.0273 1.0764 0.0512 -0.0195 -0.0823 902 SER A O 5535 C CB . SER A 820 ? 0.8028 0.7949 0.8387 0.0596 -0.0227 -0.0876 902 SER A CB 5536 O OG . SER A 820 ? 0.7403 0.7361 0.7766 0.0645 -0.0300 -0.0907 902 SER A OG 5537 N N . LYS B 88 ? 0.5094 0.6823 0.7400 0.0821 0.0385 0.1386 170 LYS B N 5538 C CA . LYS B 88 ? 0.6185 0.7810 0.8339 0.0769 0.0378 0.1314 170 LYS B CA 5539 C C . LYS B 88 ? 0.7813 0.9506 0.9869 0.0763 0.0342 0.1281 170 LYS B C 5540 O O . LYS B 88 ? 0.6404 0.8160 0.8479 0.0775 0.0316 0.1258 170 LYS B O 5541 C CB . LYS B 88 ? 0.4540 0.6027 0.6660 0.0733 0.0380 0.1225 170 LYS B CB 5542 N N . SER B 89 ? 0.8953 1.0638 1.0908 0.0744 0.0342 0.1280 171 SER B N 5543 C CA . SER B 89 ? 0.8267 1.0014 1.0124 0.0738 0.0308 0.1244 171 SER B CA 5544 C C . SER B 89 ? 0.7215 0.8867 0.8980 0.0700 0.0284 0.1132 171 SER B C 5545 O O . SER B 89 ? 0.7383 0.8912 0.9140 0.0674 0.0295 0.1083 171 SER B O 5546 C CB . SER B 89 ? 0.9455 1.1218 1.1229 0.0731 0.0317 0.1270 171 SER B CB 5547 O OG . SER B 89 ? 1.1233 1.3075 1.3095 0.0763 0.0343 0.1376 171 SER B OG 5548 N N . TRP B 90 ? 0.6293 0.8006 0.7995 0.0697 0.0251 0.1092 172 TRP B N 5549 C CA . TRP B 90 ? 0.4912 0.6546 0.6532 0.0664 0.0225 0.0987 172 TRP B CA 5550 C C . TRP B 90 ? 0.3522 0.5018 0.5033 0.0624 0.0232 0.0924 172 TRP B C 5551 O O . TRP B 90 ? 0.2633 0.4020 0.4110 0.0592 0.0224 0.0849 172 TRP B O 5552 C CB . TRP B 90 ? 0.4454 0.6188 0.6034 0.0669 0.0189 0.0962 172 TRP B CB 5553 C CG . TRP B 90 ? 0.4588 0.6244 0.6094 0.0636 0.0163 0.0857 172 TRP B CG 5554 C CD1 . TRP B 90 ? 0.6426 0.8081 0.7975 0.0633 0.0147 0.0821 172 TRP B CD1 5555 C CD2 . TRP B 90 ? 0.4378 0.5948 0.5760 0.0602 0.0149 0.0776 172 TRP B CD2 5556 N NE1 . TRP B 90 ? 0.6892 0.8464 0.8350 0.0598 0.0125 0.0724 172 TRP B NE1 5557 C CE2 . TRP B 90 ? 0.5555 0.7072 0.6913 0.0579 0.0125 0.0693 172 TRP B CE2 5558 C CE3 . TRP B 90 ? 0.4628 0.6165 0.5922 0.0591 0.0156 0.0766 172 TRP B CE3 5559 C CZ2 . TRP B 90 ? 0.5201 0.6631 0.6456 0.0545 0.0106 0.0601 172 TRP B CZ2 5560 C CZ3 . TRP B 90 ? 0.4482 0.5935 0.5673 0.0559 0.0137 0.0674 172 TRP B CZ3 5561 C CH2 . TRP B 90 ? 0.4168 0.5566 0.5343 0.0536 0.0111 0.0592 172 TRP B CH2 5562 N N . VAL B 91 ? 0.3948 0.5458 0.5412 0.0626 0.0245 0.0959 173 VAL B N 5563 C CA . VAL B 91 ? 0.3772 0.5168 0.5140 0.0592 0.0252 0.0911 173 VAL B CA 5564 C C . VAL B 91 ? 0.3084 0.4364 0.4498 0.0572 0.0281 0.0920 173 VAL B C 5565 O O . VAL B 91 ? 0.4054 0.5215 0.5408 0.0534 0.0280 0.0861 173 VAL B O 5566 C CB . VAL B 91 ? 0.2724 0.4182 0.4036 0.0607 0.0263 0.0956 173 VAL B CB 5567 C CG1 . VAL B 91 ? 0.1217 0.2743 0.2620 0.0637 0.0298 0.1069 173 VAL B CG1 5568 C CG2 . VAL B 91 ? 0.2304 0.3653 0.3517 0.0574 0.0266 0.0900 173 VAL B CG2 5569 N N . GLU B 92 ? 0.2744 0.4062 0.4272 0.0597 0.0305 0.0994 174 GLU B N 5570 C CA . GLU B 92 ? 0.4282 0.5504 0.5874 0.0581 0.0335 0.1011 174 GLU B CA 5571 C C . GLU B 92 ? 0.4999 0.6140 0.6607 0.0558 0.0323 0.0940 174 GLU B C 5572 O O . GLU B 92 ? 0.5200 0.6234 0.6828 0.0529 0.0339 0.0923 174 GLU B O 5573 C CB . GLU B 92 ? 0.5616 0.6915 0.7335 0.0621 0.0366 0.1114 174 GLU B CB 5574 C CG . GLU B 92 ? 0.7389 0.8759 0.9101 0.0640 0.0385 0.1194 174 GLU B CG 5575 C CD . GLU B 92 ? 0.8327 0.9777 1.0174 0.0680 0.0413 0.1297 174 GLU B CD 5576 O OE1 . GLU B 92 ? 0.8041 0.9511 0.9988 0.0699 0.0412 0.1306 174 GLU B OE1 5577 O OE2 . GLU B 92 ? 0.9170 1.0668 1.1028 0.0693 0.0435 0.1371 174 GLU B OE2 5578 N N . GLU B 93 ? 0.4830 0.6024 0.6431 0.0569 0.0293 0.0902 175 GLU B N 5579 C CA . GLU B 93 ? 0.4048 0.5179 0.5660 0.0550 0.0280 0.0836 175 GLU B CA 5580 C C . GLU B 93 ? 0.4778 0.5799 0.6277 0.0500 0.0258 0.0742 175 GLU B C 5581 O O . GLU B 93 ? 0.5790 0.6813 0.7200 0.0490 0.0243 0.0716 175 GLU B O 5582 C CB . GLU B 93 ? 0.4241 0.5478 0.5899 0.0581 0.0259 0.0837 175 GLU B CB 5583 C CG . GLU B 93 ? 0.5665 0.7004 0.7457 0.0631 0.0279 0.0925 175 GLU B CG 5584 C CD . GLU B 93 ? 0.8013 0.9458 0.9860 0.0660 0.0258 0.0925 175 GLU B CD 5585 O OE1 . GLU B 93 ? 0.8934 1.0405 1.0711 0.0648 0.0227 0.0877 175 GLU B OE1 5586 O OE2 . GLU B 93 ? 0.9124 1.0629 1.1091 0.0696 0.0272 0.0976 175 GLU B OE2 5587 N N . THR B 94 ? 0.4822 0.5751 0.6327 0.0471 0.0256 0.0690 176 THR B N 5588 C CA . THR B 94 ? 0.5045 0.5868 0.6454 0.0422 0.0233 0.0603 176 THR B CA 5589 C C . THR B 94 ? 0.3618 0.4478 0.4975 0.0423 0.0197 0.0539 176 THR B C 5590 O O . THR B 94 ? 0.1932 0.2901 0.3330 0.0460 0.0190 0.0565 176 THR B O 5591 C CB . THR B 94 ? 0.6304 0.7014 0.7743 0.0385 0.0245 0.0577 176 THR B CB 5592 O OG1 . THR B 94 ? 0.6392 0.7001 0.7740 0.0334 0.0222 0.0499 176 THR B OG1 5593 C CG2 . THR B 94 ? 0.7344 0.8090 0.8857 0.0405 0.0246 0.0575 176 THR B CG2 5594 N N . CYS B 95 ? 0.3215 0.3986 0.4490 0.0381 0.0174 0.0459 177 CYS B N 5595 C CA . CYS B 95 ? 0.3248 0.4047 0.4476 0.0379 0.0141 0.0394 177 CYS B CA 5596 C C . CYS B 95 ? 0.4311 0.5129 0.5602 0.0390 0.0141 0.0391 177 CYS B C 5597 O O . CYS B 95 ? 0.4555 0.5306 0.5884 0.0373 0.0158 0.0395 177 CYS B O 5598 C CB . CYS B 95 ? 0.1680 0.2378 0.2807 0.0333 0.0117 0.0312 177 CYS B CB 5599 S SG . CYS B 95 ? 0.9233 0.9905 1.0286 0.0321 0.0116 0.0307 177 CYS B SG 5600 N N . GLU B 96 ? 0.4411 0.5323 0.5719 0.0416 0.0124 0.0384 178 GLU B N 5601 C CA . GLU B 96 ? 0.4546 0.5488 0.5914 0.0429 0.0123 0.0378 178 GLU B CA 5602 C C . GLU B 96 ? 0.4642 0.5606 0.5962 0.0420 0.0091 0.0314 178 GLU B C 5603 O O . GLU B 96 ? 0.4620 0.5656 0.5925 0.0433 0.0074 0.0312 178 GLU B O 5604 C CB . GLU B 96 ? 0.6110 0.7171 0.7595 0.0480 0.0142 0.0460 178 GLU B CB 5605 C CG . GLU B 96 ? 0.7646 0.8681 0.9197 0.0491 0.0177 0.0521 178 GLU B CG 5606 C CD . GLU B 96 ? 0.8464 0.9611 1.0141 0.0543 0.0196 0.0598 178 GLU B CD 5607 O OE1 . GLU B 96 ? 0.8026 0.9280 0.9742 0.0571 0.0182 0.0610 178 GLU B OE1 5608 O OE2 . GLU B 96 ? 0.9295 1.0427 1.1040 0.0557 0.0225 0.0648 178 GLU B OE2 5609 N N . SER B 97 ? 0.4659 0.5561 0.5956 0.0397 0.0084 0.0265 179 SER B N 5610 C CA . SER B 97 ? 0.4267 0.5181 0.5517 0.0386 0.0057 0.0204 179 SER B CA 5611 C C . SER B 97 ? 0.4517 0.5562 0.5852 0.0424 0.0052 0.0233 179 SER B C 5612 O O . SER B 97 ? 0.5247 0.6339 0.6669 0.0449 0.0069 0.0272 179 SER B O 5613 C CB . SER B 97 ? 0.4028 0.4842 0.5232 0.0350 0.0056 0.0160 179 SER B CB 5614 O OG . SER B 97 ? 0.6927 0.7762 0.8219 0.0368 0.0076 0.0192 179 SER B OG 5615 N N . ILE B 98 ? 0.3067 0.4171 0.4385 0.0428 0.0029 0.0215 180 ILE B N 5616 C CA . ILE B 98 ? 0.2079 0.3309 0.3478 0.0457 0.0021 0.0247 180 ILE B CA 5617 C C . ILE B 98 ? 0.2719 0.3939 0.4090 0.0438 -0.0001 0.0181 180 ILE B C 5618 O O . ILE B 98 ? 0.2138 0.3384 0.3489 0.0429 -0.0024 0.0155 180 ILE B O 5619 C CB . ILE B 98 ? 0.1918 0.3238 0.3332 0.0475 0.0013 0.0290 180 ILE B CB 5620 C CG1 . ILE B 98 ? 0.1586 0.2891 0.2993 0.0485 0.0034 0.0339 180 ILE B CG1 5621 C CG2 . ILE B 98 ? 0.0860 0.2332 0.2381 0.0510 0.0011 0.0353 180 ILE B CG2 5622 C CD1 . ILE B 98 ? 0.1604 0.3005 0.3018 0.0504 0.0028 0.0387 180 ILE B CD1 5623 N N . ASP B 99 ? 0.3128 0.4307 0.4498 0.0430 0.0006 0.0158 181 ASP B N 5624 C CA . ASP B 99 ? 0.3838 0.5008 0.5178 0.0414 -0.0012 0.0101 181 ASP B CA 5625 C C . ASP B 99 ? 0.3134 0.4434 0.4574 0.0437 -0.0021 0.0134 181 ASP B C 5626 O O . ASP B 99 ? 0.2740 0.4051 0.4166 0.0422 -0.0042 0.0096 181 ASP B O 5627 C CB . ASP B 99 ? 0.5608 0.6718 0.6926 0.0403 0.0003 0.0087 181 ASP B CB 5628 C CG . ASP B 99 ? 0.5936 0.6913 0.7165 0.0373 0.0014 0.0077 181 ASP B CG 5629 O OD1 . ASP B 99 ? 0.3881 0.4802 0.5025 0.0351 0.0005 0.0055 181 ASP B OD1 5630 O OD2 . ASP B 99 ? 0.6691 0.7620 0.7947 0.0368 0.0034 0.0095 181 ASP B OD2 5631 N N . THR B 100 ? 0.3788 0.5188 0.5335 0.0474 -0.0003 0.0212 182 THR B N 5632 C CA . THR B 100 ? 0.3538 0.5084 0.5187 0.0501 -0.0009 0.0263 182 THR B CA 5633 C C . THR B 100 ? 0.3249 0.4892 0.4955 0.0530 -0.0005 0.0341 182 THR B C 5634 O O . THR B 100 ? 0.3327 0.4964 0.5061 0.0551 0.0017 0.0384 182 THR B O 5635 C CB . THR B 100 ? 0.3906 0.5512 0.5646 0.0525 0.0007 0.0289 182 THR B CB 5636 O OG1 . THR B 100 ? 0.4211 0.5726 0.5890 0.0498 0.0005 0.0219 182 THR B OG1 5637 C CG2 . THR B 100 ? 0.4355 0.6120 0.6202 0.0548 -0.0002 0.0341 182 THR B CG2 5638 N N . PRO B 101 ? 0.2589 0.4324 0.4313 0.0532 -0.0027 0.0362 183 PRO B N 5639 C CA . PRO B 101 ? 0.1872 0.3713 0.3644 0.0558 -0.0028 0.0437 183 PRO B CA 5640 C C . PRO B 101 ? 0.2654 0.4611 0.4556 0.0602 -0.0009 0.0524 183 PRO B C 5641 O O . PRO B 101 ? 0.5212 0.7261 0.7202 0.0618 -0.0012 0.0548 183 PRO B O 5642 C CB . PRO B 101 ? 0.1487 0.3417 0.3266 0.0547 -0.0060 0.0437 183 PRO B CB 5643 C CG . PRO B 101 ? 0.2510 0.4420 0.4292 0.0528 -0.0070 0.0388 183 PRO B CG 5644 C CD . PRO B 101 ? 0.2783 0.4532 0.4487 0.0508 -0.0053 0.0318 183 PRO B CD 5645 N N . GLU B 102 ? 0.2986 0.4942 0.4905 0.0624 0.0010 0.0573 184 GLU B N 5646 C CA . GLU B 102 ? 0.3282 0.5347 0.5332 0.0670 0.0028 0.0660 184 GLU B CA 5647 C C . GLU B 102 ? 0.3289 0.5504 0.5401 0.0691 0.0010 0.0735 184 GLU B C 5648 O O . GLU B 102 ? 0.3037 0.5260 0.5139 0.0702 0.0017 0.0776 184 GLU B O 5649 C CB . GLU B 102 ? 0.3177 0.5158 0.5224 0.0683 0.0061 0.0674 184 GLU B CB 5650 C CG . GLU B 102 ? 0.5619 0.7462 0.7614 0.0662 0.0076 0.0606 184 GLU B CG 5651 C CD . GLU B 102 ? 0.7047 0.8812 0.9049 0.0672 0.0107 0.0625 184 GLU B CD 5652 O OE1 . GLU B 102 ? 0.6829 0.8668 0.8915 0.0708 0.0122 0.0701 184 GLU B OE1 5653 O OE2 . GLU B 102 ? 0.7395 0.9027 0.9322 0.0642 0.0115 0.0565 184 GLU B OE2 5654 N N . CYS B 103 ? 0.4636 0.6975 0.6816 0.0695 -0.0013 0.0756 185 CYS B N 5655 C CA . CYS B 103 ? 0.5488 0.7984 0.7733 0.0708 -0.0040 0.0825 185 CYS B CA 5656 C C . CYS B 103 ? 0.6481 0.9131 0.8892 0.0755 -0.0034 0.0920 185 CYS B C 5657 O O . CYS B 103 ? 0.7018 0.9688 0.9503 0.0771 -0.0019 0.0921 185 CYS B O 5658 C CB . CYS B 103 ? 0.4724 0.7266 0.6943 0.0677 -0.0076 0.0789 185 CYS B CB 5659 S SG . CYS B 103 ? 0.8146 1.0520 1.0186 0.0626 -0.0086 0.0678 185 CYS B SG 5660 N N . PRO B 104 ? 0.6955 0.9718 0.9429 0.0778 -0.0044 0.1000 186 PRO B N 5661 C CA . PRO B 104 ? 0.7903 1.0831 1.0548 0.0823 -0.0045 0.1097 186 PRO B CA 5662 C C . PRO B 104 ? 0.7928 1.0989 1.0663 0.0820 -0.0073 0.1114 186 PRO B C 5663 O O . PRO B 104 ? 0.8115 1.1154 1.0779 0.0781 -0.0097 0.1058 186 PRO B O 5664 C CB . PRO B 104 ? 0.7777 1.0796 1.0440 0.0833 -0.0065 0.1167 186 PRO B CB 5665 C CG . PRO B 104 ? 0.7071 0.9942 0.9579 0.0806 -0.0053 0.1109 186 PRO B CG 5666 C CD . PRO B 104 ? 0.6739 0.9484 0.9130 0.0764 -0.0056 0.1004 186 PRO B CD 5667 N N . ALA B 105 ? 0.8083 1.1283 1.0980 0.0863 -0.0070 0.1192 187 ALA B N 5668 C CA . ALA B 105 ? 0.8104 1.1452 1.1111 0.0864 -0.0095 0.1222 187 ALA B CA 5669 C C . ALA B 105 ? 0.7307 1.0775 1.0319 0.0834 -0.0149 0.1249 187 ALA B C 5670 O O . ALA B 105 ? 0.7457 1.1001 1.0505 0.0813 -0.0174 0.1242 187 ALA B O 5671 C CB . ALA B 105 ? 0.8927 1.2410 1.2119 0.0922 -0.0080 0.1309 187 ALA B CB 5672 N N . GLU B 106 ? 0.6227 0.9717 0.9205 0.0830 -0.0167 0.1280 188 GLU B N 5673 C CA . GLU B 106 ? 0.6063 0.9677 0.9051 0.0803 -0.0222 0.1309 188 GLU B CA 5674 C C . GLU B 106 ? 0.6058 0.9554 0.8881 0.0751 -0.0237 0.1214 188 GLU B C 5675 O O . GLU B 106 ? 0.5745 0.9321 0.8556 0.0722 -0.0283 0.1218 188 GLU B O 5676 C CB . GLU B 106 ? 0.5811 0.9525 0.8852 0.0825 -0.0241 0.1394 188 GLU B CB 5677 N N . PHE B 107 ? 0.6277 0.9584 0.8980 0.0741 -0.0198 0.1128 189 PHE B N 5678 C CA . PHE B 107 ? 0.6116 0.9292 0.8666 0.0696 -0.0206 0.1030 189 PHE B CA 5679 C C . PHE B 107 ? 0.4668 0.7770 0.7193 0.0675 -0.0197 0.0961 189 PHE B C 5680 O O . PHE B 107 ? 0.4197 0.7233 0.6740 0.0693 -0.0162 0.0947 189 PHE B O 5681 C CB . PHE B 107 ? 0.6802 0.9814 0.9224 0.0696 -0.0173 0.0983 189 PHE B CB 5682 C CG . PHE B 107 ? 0.7604 1.0667 1.0002 0.0701 -0.0188 0.1025 189 PHE B CG 5683 C CD1 . PHE B 107 ? 0.7481 1.0603 0.9954 0.0739 -0.0173 0.1106 189 PHE B CD1 5684 C CD2 . PHE B 107 ? 0.7848 1.0904 1.0155 0.0669 -0.0218 0.0983 189 PHE B CD2 5685 C CE1 . PHE B 107 ? 0.7128 1.0305 0.9581 0.0744 -0.0186 0.1150 189 PHE B CE1 5686 C CE2 . PHE B 107 ? 0.7532 1.0644 0.9817 0.0675 -0.0231 0.1023 189 PHE B CE2 5687 C CZ . PHE B 107 ? 0.7259 1.0433 0.9616 0.0712 -0.0216 0.1107 189 PHE B CZ 5688 N N . GLU B 108 ? 0.4215 0.7333 0.6704 0.0637 -0.0231 0.0920 190 GLU B N 5689 C CA . GLU B 108 ? 0.5306 0.8363 0.7775 0.0615 -0.0227 0.0858 190 GLU B CA 5690 C C . GLU B 108 ? 0.6310 0.9166 0.8618 0.0585 -0.0212 0.0751 190 GLU B C 5691 O O . GLU B 108 ? 0.7466 1.0219 0.9738 0.0576 -0.0191 0.0696 190 GLU B O 5692 C CB . GLU B 108 ? 0.6296 0.9494 0.8836 0.0589 -0.0273 0.0881 190 GLU B CB 5693 C CG . GLU B 108 ? 0.7926 1.1096 1.0477 0.0571 -0.0268 0.0839 190 GLU B CG 5694 C CD . GLU B 108 ? 1.0221 1.3535 1.2849 0.0542 -0.0316 0.0867 190 GLU B CD 5695 O OE1 . GLU B 108 ? 1.0441 1.3856 1.3092 0.0529 -0.0358 0.0903 190 GLU B OE1 5696 O OE2 . GLU B 108 ? 1.1223 1.4553 1.3890 0.0530 -0.0313 0.0855 190 GLU B OE2 5697 N N . SER B 109 ? 0.6534 0.9338 0.8749 0.0571 -0.0224 0.0723 191 SER B N 5698 C CA . SER B 109 ? 0.6676 0.9296 0.8746 0.0544 -0.0212 0.0624 191 SER B CA 5699 C C . SER B 109 ? 0.6739 0.9312 0.8730 0.0549 -0.0207 0.0623 191 SER B C 5700 O O . SER B 109 ? 0.7608 1.0305 0.9640 0.0559 -0.0229 0.0681 191 SER B O 5701 C CB . SER B 109 ? 0.7125 0.9733 0.9160 0.0507 -0.0244 0.0566 191 SER B CB 5702 O OG . SER B 109 ? 0.7925 1.0667 0.9999 0.0498 -0.0286 0.0603 191 SER B OG 5703 N N . PRO B 110 ? 0.4933 0.7335 0.6813 0.0541 -0.0179 0.0558 192 PRO B N 5704 C CA . PRO B 110 ? 0.3752 0.6107 0.5555 0.0546 -0.0170 0.0557 192 PRO B CA 5705 C C . PRO B 110 ? 0.4907 0.7309 0.6664 0.0529 -0.0201 0.0540 192 PRO B C 5706 O O . PRO B 110 ? 0.5166 0.7512 0.6873 0.0500 -0.0218 0.0473 192 PRO B O 5707 C CB . PRO B 110 ? 0.1742 0.3899 0.3438 0.0528 -0.0143 0.0477 192 PRO B CB 5708 C CG . PRO B 110 ? 0.2447 0.4569 0.4190 0.0529 -0.0130 0.0464 192 PRO B CG 5709 C CD . PRO B 110 ? 0.3618 0.5870 0.5448 0.0526 -0.0157 0.0489 192 PRO B CD 5710 N N . PRO B 111 ? 0.4300 0.6808 0.6079 0.0547 -0.0210 0.0602 193 PRO B N 5711 C CA . PRO B 111 ? 0.4233 0.6795 0.5965 0.0533 -0.0240 0.0589 193 PRO B CA 5712 C C . PRO B 111 ? 0.3823 0.6232 0.5415 0.0519 -0.0221 0.0510 193 PRO B C 5713 O O . PRO B 111 ? 0.3349 0.5619 0.4887 0.0519 -0.0187 0.0478 193 PRO B O 5714 C CB . PRO B 111 ? 0.4653 0.7360 0.6448 0.0561 -0.0247 0.0685 193 PRO B CB 5715 C CG . PRO B 111 ? 0.4263 0.7026 0.6172 0.0587 -0.0232 0.0755 193 PRO B CG 5716 C CD . PRO B 111 ? 0.3600 0.6199 0.5463 0.0582 -0.0196 0.0696 193 PRO B CD 5717 N N . THR B 112 ? 0.3686 0.6121 0.5223 0.0506 -0.0244 0.0480 194 THR B N 5718 C CA . THR B 112 ? 0.3698 0.6002 0.5104 0.0494 -0.0226 0.0408 194 THR B CA 5719 C C . THR B 112 ? 0.4418 0.6805 0.5782 0.0508 -0.0231 0.0436 194 THR B C 5720 O O . THR B 112 ? 0.6014 0.8526 0.7406 0.0504 -0.0268 0.0451 194 THR B O 5721 C CB . THR B 112 ? 0.3146 0.5372 0.4501 0.0463 -0.0243 0.0323 194 THR B CB 5722 O OG1 . THR B 112 ? 0.3890 0.6036 0.5279 0.0450 -0.0236 0.0298 194 THR B OG1 5723 C CG2 . THR B 112 ? 0.3458 0.5554 0.4676 0.0454 -0.0222 0.0253 194 THR B CG2 5724 N N . LEU B 113 ? 0.3602 0.5923 0.4902 0.0522 -0.0197 0.0444 195 LEU B N 5725 C CA . LEU B 113 ? 0.3013 0.5408 0.4267 0.0538 -0.0195 0.0472 195 LEU B CA 5726 C C . LEU B 113 ? 0.3433 0.5715 0.4547 0.0526 -0.0180 0.0390 195 LEU B C 5727 O O . LEU B 113 ? 0.2790 0.4918 0.3841 0.0517 -0.0152 0.0344 195 LEU B O 5728 C CB . LEU B 113 ? 0.2648 0.5073 0.3936 0.0566 -0.0168 0.0555 195 LEU B CB 5729 C CG . LEU B 113 ? 0.3212 0.5683 0.4438 0.0583 -0.0154 0.0584 195 LEU B CG 5730 C CD1 . LEU B 113 ? 0.3647 0.6286 0.4893 0.0586 -0.0192 0.0611 195 LEU B CD1 5731 C CD2 . LEU B 113 ? 0.3662 0.6149 0.4939 0.0609 -0.0125 0.0670 195 LEU B CD2 5732 N N . LEU B 114 ? 0.3478 0.5842 0.4550 0.0526 -0.0200 0.0372 196 LEU B N 5733 C CA . LEU B 114 ? 0.2670 0.4953 0.3609 0.0521 -0.0185 0.0295 196 LEU B CA 5734 C C . LEU B 114 ? 0.2932 0.5282 0.3823 0.0546 -0.0166 0.0338 196 LEU B C 5735 O O . LEU B 114 ? 0.4258 0.6754 0.5165 0.0557 -0.0188 0.0370 196 LEU B O 5736 C CB . LEU B 114 ? 0.1778 0.4099 0.2694 0.0504 -0.0217 0.0233 196 LEU B CB 5737 C CG . LEU B 114 ? 0.2166 0.4421 0.2943 0.0504 -0.0202 0.0145 196 LEU B CG 5738 C CD1 . LEU B 114 ? 0.1561 0.3624 0.2247 0.0495 -0.0168 0.0087 196 LEU B CD1 5739 C CD2 . LEU B 114 ? 0.1014 0.3299 0.1790 0.0487 -0.0235 0.0083 196 LEU B CD2 5740 N N . PHE B 115 ? 0.2166 0.4409 0.3001 0.0553 -0.0129 0.0340 197 PHE B N 5741 C CA . PHE B 115 ? 0.1073 0.3370 0.1866 0.0578 -0.0107 0.0389 197 PHE B CA 5742 C C . PHE B 115 ? 0.3522 0.5759 0.4175 0.0577 -0.0093 0.0313 197 PHE B C 5743 O O . PHE B 115 ? 0.4477 0.6560 0.5060 0.0562 -0.0078 0.0249 197 PHE B O 5744 C CB . PHE B 115 ? 0.4533 0.6758 0.5363 0.0586 -0.0076 0.0446 197 PHE B CB 5745 C CG . PHE B 115 ? 0.4364 0.6686 0.5208 0.0615 -0.0056 0.0536 197 PHE B CG 5746 C CD1 . PHE B 115 ? 0.2968 0.5396 0.3752 0.0630 -0.0058 0.0544 197 PHE B CD1 5747 C CD2 . PHE B 115 ? 0.4674 0.6982 0.5592 0.0627 -0.0034 0.0613 197 PHE B CD2 5748 C CE1 . PHE B 115 ? 0.1221 0.3741 0.2021 0.0656 -0.0039 0.0632 197 PHE B CE1 5749 C CE2 . PHE B 115 ? 0.3975 0.6370 0.4913 0.0653 -0.0015 0.0701 197 PHE B CE2 5750 C CZ . PHE B 115 ? 0.1242 0.3743 0.2120 0.0667 -0.0017 0.0713 197 PHE B CZ 5751 N N . SER B 116 ? 0.2389 0.4753 0.3004 0.0595 -0.0100 0.0319 198 SER B N 5752 C CA . SER B 116 ? 0.2196 0.4526 0.2676 0.0600 -0.0086 0.0245 198 SER B CA 5753 C C . SER B 116 ? 0.2195 0.4578 0.2627 0.0628 -0.0057 0.0300 198 SER B C 5754 O O . SER B 116 ? 0.1524 0.4047 0.2019 0.0647 -0.0059 0.0389 198 SER B O 5755 C CB . SER B 116 ? 0.1098 0.3527 0.1557 0.0600 -0.0115 0.0188 198 SER B CB 5756 O OG . SER B 116 ? 0.1655 0.4064 0.1983 0.0612 -0.0099 0.0113 198 SER B OG 5757 N N . LEU B 117 ? 0.1062 0.3334 0.1386 0.0629 -0.0035 0.0249 199 LEU B N 5758 C CA . LEU B 117 ? 0.4639 0.6950 0.4904 0.0654 -0.0007 0.0293 199 LEU B CA 5759 C C . LEU B 117 ? 0.3996 0.6311 0.4127 0.0664 -0.0007 0.0203 199 LEU B C 5760 O O . LEU B 117 ? 0.4881 0.7058 0.4935 0.0650 -0.0005 0.0130 199 LEU B O 5761 C CB . LEU B 117 ? 0.1052 0.3225 0.1324 0.0646 0.0017 0.0327 199 LEU B CB 5762 C CG . LEU B 117 ? 0.1862 0.3989 0.2257 0.0632 0.0018 0.0386 199 LEU B CG 5763 C CD1 . LEU B 117 ? 0.2588 0.4576 0.2989 0.0622 0.0042 0.0408 199 LEU B CD1 5764 C CD2 . LEU B 117 ? 0.1115 0.3402 0.1609 0.0654 0.0017 0.0490 199 LEU B CD2 5765 N N . ASP B 118 ? 0.3532 0.6010 0.3645 0.0686 -0.0011 0.0208 200 ASP B N 5766 C CA . ASP B 118 ? 0.3110 0.5611 0.3103 0.0699 -0.0012 0.0112 200 ASP B CA 5767 C C . ASP B 118 ? 0.2816 0.5241 0.2699 0.0713 0.0011 0.0096 200 ASP B C 5768 O O . ASP B 118 ? 0.2711 0.5168 0.2604 0.0730 0.0035 0.0186 200 ASP B O 5769 C CB . ASP B 118 ? 0.1224 0.3936 0.1237 0.0722 -0.0020 0.0135 200 ASP B CB 5770 C CG . ASP B 118 ? 0.4239 0.6982 0.4159 0.0733 -0.0027 0.0018 200 ASP B CG 5771 O OD1 . ASP B 118 ? 0.1200 0.3831 0.1008 0.0737 -0.0016 -0.0061 200 ASP B OD1 5772 O OD2 . ASP B 118 ? 0.4313 0.7190 0.4290 0.0733 -0.0053 0.0007 200 ASP B OD2 5773 N N . GLY B 119 ? 0.3586 0.5894 0.3386 0.0699 -0.0004 -0.0016 201 GLY B N 5774 C CA . GLY B 119 ? 0.4806 0.6983 0.4585 0.0688 -0.0007 -0.0037 201 GLY B CA 5775 C C . GLY B 119 ? 0.5126 0.7175 0.4910 0.0673 0.0002 0.0000 201 GLY B C 5776 O O . GLY B 119 ? 0.5888 0.7883 0.5660 0.0675 0.0009 0.0022 201 GLY B O 5777 N N . PHE B 120 ? 0.4352 0.6361 0.4161 0.0658 0.0003 0.0011 202 PHE B N 5778 C CA . PHE B 120 ? 0.3058 0.4920 0.2919 0.0632 0.0008 0.0044 202 PHE B CA 5779 C C . PHE B 120 ? 0.3031 0.4740 0.2844 0.0598 -0.0019 -0.0061 202 PHE B C 5780 O O . PHE B 120 ? 0.3412 0.5036 0.3251 0.0567 -0.0037 -0.0114 202 PHE B O 5781 C CB . PHE B 120 ? 0.1178 0.3015 0.1161 0.0615 0.0013 0.0103 202 PHE B CB 5782 C CG . PHE B 120 ? 0.1122 0.2853 0.1176 0.0599 0.0031 0.0166 202 PHE B CG 5783 C CD1 . PHE B 120 ? 0.0835 0.2405 0.0890 0.0563 0.0020 0.0113 202 PHE B CD1 5784 C CD2 . PHE B 120 ? 0.2452 0.4249 0.2582 0.0618 0.0058 0.0277 202 PHE B CD2 5785 C CE1 . PHE B 120 ? 0.1509 0.2988 0.1641 0.0547 0.0038 0.0167 202 PHE B CE1 5786 C CE2 . PHE B 120 ? 0.3372 0.5072 0.3571 0.0604 0.0077 0.0330 202 PHE B CE2 5787 C CZ . PHE B 120 ? 0.3179 0.4721 0.3380 0.0569 0.0067 0.0273 202 PHE B CZ 5788 N N . ARG B 121 ? 0.2493 0.4137 0.2294 0.0590 -0.0026 -0.0083 203 ARG B N 5789 C CA . ARG B 121 ? 0.2975 0.4451 0.2789 0.0542 -0.0053 -0.0165 203 ARG B CA 5790 C C . ARG B 121 ? 0.2742 0.4127 0.2575 0.0521 -0.0050 -0.0150 203 ARG B C 5791 O O . ARG B 121 ? 0.3132 0.4538 0.3011 0.0536 -0.0021 -0.0059 203 ARG B O 5792 C CB . ARG B 121 ? 0.2503 0.3965 0.2302 0.0547 -0.0057 -0.0174 203 ARG B CB 5793 C CG . ARG B 121 ? 0.2567 0.4042 0.2359 0.0568 -0.0037 -0.0107 203 ARG B CG 5794 C CD . ARG B 121 ? 0.2449 0.3929 0.2228 0.0576 -0.0045 -0.0129 203 ARG B CD 5795 N NE . ARG B 121 ? 0.2839 0.4314 0.2616 0.0593 -0.0028 -0.0076 203 ARG B NE 5796 C CZ . ARG B 121 ? 0.2565 0.4052 0.2335 0.0606 -0.0033 -0.0089 203 ARG B CZ 5797 N NH1 . ARG B 121 ? 0.1647 0.3146 0.1412 0.0601 -0.0058 -0.0155 203 ARG B NH1 5798 N NH2 . ARG B 121 ? 0.3433 0.4924 0.3204 0.0627 -0.0011 -0.0030 203 ARG B NH2 5799 N N . ALA B 122 ? 0.1325 0.2563 0.1186 0.0469 -0.0075 -0.0224 204 ALA B N 5800 C CA . ALA B 122 ? 0.2326 0.3473 0.2212 0.0443 -0.0077 -0.0226 204 ALA B CA 5801 C C . ALA B 122 ? 0.2878 0.3975 0.2817 0.0437 -0.0059 -0.0171 204 ALA B C 5802 O O . ALA B 122 ? 0.3372 0.4396 0.3404 0.0416 -0.0040 -0.0120 204 ALA B O 5803 C CB . ALA B 122 ? 0.1893 0.2873 0.1823 0.0377 -0.0102 -0.0301 204 ALA B CB 5804 N N . GLU B 123 ? 0.1666 0.2800 0.1560 0.0455 -0.0062 -0.0179 205 GLU B N 5805 C CA . GLU B 123 ? 0.2136 0.3225 0.2097 0.0451 -0.0040 -0.0123 205 GLU B CA 5806 C C . GLU B 123 ? 0.2809 0.3946 0.2835 0.0478 0.0005 -0.0006 205 GLU B C 5807 O O . GLU B 123 ? 0.2967 0.4039 0.3075 0.0466 0.0030 0.0045 205 GLU B O 5808 C CB . GLU B 123 ? 0.3406 0.4545 0.3310 0.0473 -0.0052 -0.0153 205 GLU B CB 5809 C CG . GLU B 123 ? 0.4675 0.5769 0.4658 0.0470 -0.0025 -0.0100 205 GLU B CG 5810 C CD . GLU B 123 ? 0.5942 0.7129 0.5934 0.0519 0.0017 0.0005 205 GLU B CD 5811 O OE1 . GLU B 123 ? 0.5446 0.6750 0.5370 0.0557 0.0020 0.0032 205 GLU B OE1 5812 O OE2 . GLU B 123 ? 0.6850 0.7995 0.6917 0.0518 0.0047 0.0061 205 GLU B OE2 5813 N N . TYR B 124 ? 0.3374 0.4625 0.3367 0.0514 0.0016 0.0035 206 TYR B N 5814 C CA . TYR B 124 ? 0.4571 0.5880 0.4620 0.0540 0.0055 0.0147 206 TYR B CA 5815 C C . TYR B 124 ? 0.4233 0.5439 0.4392 0.0507 0.0069 0.0181 206 TYR B C 5816 O O . TYR B 124 ? 0.3249 0.4424 0.3469 0.0508 0.0098 0.0250 206 TYR B O 5817 C CB . TYR B 124 ? 0.5045 0.6497 0.5056 0.0575 0.0060 0.0179 206 TYR B CB 5818 C CG . TYR B 124 ? 0.4622 0.6205 0.4532 0.0617 0.0058 0.0173 206 TYR B CG 5819 C CD1 . TYR B 124 ? 0.5326 0.6912 0.5200 0.0633 0.0064 0.0182 206 TYR B CD1 5820 C CD2 . TYR B 124 ? 0.4938 0.6649 0.4796 0.0641 0.0051 0.0158 206 TYR B CD2 5821 C CE1 . TYR B 124 ? 0.6249 0.7960 0.6031 0.0674 0.0061 0.0175 206 TYR B CE1 5822 C CE2 . TYR B 124 ? 0.6459 0.8283 0.6243 0.0674 0.0048 0.0145 206 TYR B CE2 5823 C CZ . TYR B 124 ? 0.7258 0.9061 0.7028 0.0683 0.0050 0.0149 206 TYR B CZ 5824 O OH . TYR B 124 ? 0.8254 1.0139 0.8000 0.0704 0.0044 0.0132 206 TYR B OH 5825 N N . LEU B 125 ? 0.3756 0.4910 0.3938 0.0479 0.0048 0.0132 207 LEU B N 5826 C CA . LEU B 125 ? 0.2232 0.3296 0.2516 0.0449 0.0056 0.0154 207 LEU B CA 5827 C C . LEU B 125 ? 0.2497 0.3428 0.2827 0.0408 0.0054 0.0120 207 LEU B C 5828 O O . LEU B 125 ? 0.2422 0.3289 0.2834 0.0390 0.0071 0.0155 207 LEU B O 5829 C CB . LEU B 125 ? 0.1141 0.2195 0.1438 0.0433 0.0035 0.0113 207 LEU B CB 5830 C CG . LEU B 125 ? 0.1929 0.2917 0.2330 0.0411 0.0044 0.0141 207 LEU B CG 5831 C CD1 . LEU B 125 ? 0.2536 0.3584 0.2990 0.0439 0.0078 0.0243 207 LEU B CD1 5832 C CD2 . LEU B 125 ? 0.1598 0.2602 0.2010 0.0404 0.0025 0.0110 207 LEU B CD2 5833 N N . HIS B 126 ? 0.3267 0.4162 0.3543 0.0392 0.0031 0.0051 208 HIS B N 5834 C CA . HIS B 126 ? 0.2919 0.3701 0.3248 0.0353 0.0030 0.0022 208 HIS B CA 5835 C C . HIS B 126 ? 0.3283 0.4071 0.3663 0.0368 0.0063 0.0091 208 HIS B C 5836 O O . HIS B 126 ? 0.3462 0.4167 0.3922 0.0340 0.0075 0.0102 208 HIS B O 5837 C CB . HIS B 126 ? 0.3025 0.3790 0.3277 0.0340 -0.0001 -0.0058 208 HIS B CB 5838 C CG . HIS B 126 ? 0.4378 0.5128 0.4552 0.0321 -0.0040 -0.0143 208 HIS B CG 5839 N ND1 . HIS B 126 ? 0.3373 0.4115 0.3458 0.0309 -0.0078 -0.0236 208 HIS B ND1 5840 C CD2 . HIS B 126 ? 0.5636 0.6375 0.5811 0.0311 -0.0047 -0.0155 208 HIS B CD2 5841 C CE1 . HIS B 126 ? 0.3071 0.3791 0.3101 0.0291 -0.0108 -0.0307 208 HIS B CE1 5842 N NE2 . HIS B 126 ? 0.5274 0.5994 0.5357 0.0294 -0.0087 -0.0255 208 HIS B NE2 5843 N N . THR B 127 ? 0.3254 0.4146 0.3575 0.0415 0.0079 0.0137 209 THR B N 5844 C CA . THR B 127 ? 0.2408 0.3310 0.2759 0.0433 0.0114 0.0208 209 THR B CA 5845 C C . THR B 127 ? 0.2993 0.3936 0.3373 0.0457 0.0150 0.0313 209 THR B C 5846 O O . THR B 127 ? 0.4225 0.5110 0.4668 0.0444 0.0178 0.0366 209 THR B O 5847 C CB . THR B 127 ? 0.3182 0.4176 0.3457 0.0474 0.0115 0.0213 209 THR B CB 5848 O OG1 . THR B 127 ? 0.3028 0.3987 0.3277 0.0452 0.0081 0.0117 209 THR B OG1 5849 C CG2 . THR B 127 ? 0.0708 0.1705 0.1019 0.0492 0.0154 0.0290 209 THR B CG2 5850 N N . TRP B 128 ? 0.3094 0.4140 0.3431 0.0489 0.0151 0.0344 210 TRP B N 5851 C CA . TRP B 128 ? 0.3653 0.4759 0.4022 0.0515 0.0187 0.0451 210 TRP B CA 5852 C C . TRP B 128 ? 0.5147 0.6224 0.5579 0.0496 0.0183 0.0457 210 TRP B C 5853 O O . TRP B 128 ? 0.4222 0.5387 0.4667 0.0522 0.0197 0.0520 210 TRP B O 5854 C CB . TRP B 128 ? 0.2383 0.3644 0.2680 0.0566 0.0195 0.0499 210 TRP B CB 5855 C CG . TRP B 128 ? 0.3232 0.4536 0.3454 0.0588 0.0191 0.0477 210 TRP B CG 5856 C CD1 . TRP B 128 ? 0.3303 0.4687 0.3432 0.0608 0.0163 0.0416 210 TRP B CD1 5857 C CD2 . TRP B 128 ? 0.3590 0.4861 0.3827 0.0595 0.0216 0.0516 210 TRP B CD2 5858 N NE1 . TRP B 128 ? 0.3225 0.4631 0.3311 0.0628 0.0167 0.0412 210 TRP B NE1 5859 C CE2 . TRP B 128 ? 0.3294 0.4633 0.3450 0.0621 0.0200 0.0476 210 TRP B CE2 5860 C CE3 . TRP B 128 ? 0.3499 0.4692 0.3813 0.0581 0.0251 0.0582 210 TRP B CE3 5861 C CZ2 . TRP B 128 ? 0.4126 0.5461 0.4284 0.0637 0.0218 0.0501 210 TRP B CZ2 5862 C CZ3 . TRP B 128 ? 0.3593 0.4778 0.3906 0.0594 0.0271 0.0608 210 TRP B CZ3 5863 C CH2 . TRP B 128 ? 0.4148 0.5404 0.4387 0.0623 0.0255 0.0568 210 TRP B CH2 5864 N N . GLY B 129 ? 0.5878 0.6839 0.6354 0.0451 0.0164 0.0391 211 GLY B N 5865 C CA . GLY B 129 ? 0.5556 0.6483 0.6091 0.0433 0.0159 0.0390 211 GLY B CA 5866 C C . GLY B 129 ? 0.4876 0.5796 0.5481 0.0439 0.0198 0.0488 211 GLY B C 5867 O O . GLY B 129 ? 0.3569 0.4525 0.4219 0.0448 0.0204 0.0525 211 GLY B O 5868 N N . GLY B 130 ? 0.5569 0.6443 0.6191 0.0433 0.0227 0.0533 212 GLY B N 5869 C CA . GLY B 130 ? 0.6426 0.7279 0.7122 0.0433 0.0269 0.0629 212 GLY B CA 5870 C C . GLY B 130 ? 0.7131 0.8106 0.7834 0.0480 0.0299 0.0731 212 GLY B C 5871 O O . GLY B 130 ? 0.7375 0.8351 0.8151 0.0484 0.0332 0.0813 212 GLY B O 5872 N N . LEU B 131 ? 0.6472 0.7556 0.7101 0.0515 0.0287 0.0725 213 LEU B N 5873 C CA . LEU B 131 ? 0.4759 0.5978 0.5388 0.0560 0.0312 0.0819 213 LEU B CA 5874 C C . LEU B 131 ? 0.4350 0.5655 0.4990 0.0573 0.0290 0.0809 213 LEU B C 5875 O O . LEU B 131 ? 0.4679 0.6104 0.5338 0.0607 0.0306 0.0885 213 LEU B O 5876 C CB . LEU B 131 ? 0.3428 0.4731 0.3968 0.0591 0.0315 0.0828 213 LEU B CB 5877 C CG . LEU B 131 ? 0.3368 0.4599 0.3898 0.0583 0.0335 0.0841 213 LEU B CG 5878 C CD1 . LEU B 131 ? 0.4296 0.5624 0.4734 0.0620 0.0334 0.0845 213 LEU B CD1 5879 C CD2 . LEU B 131 ? 0.1607 0.2803 0.2222 0.0580 0.0383 0.0947 213 LEU B CD2 5880 N N . LEU B 132 ? 0.3721 0.4966 0.4355 0.0547 0.0254 0.0716 214 LEU B N 5881 C CA . LEU B 132 ? 0.3645 0.4962 0.4295 0.0556 0.0231 0.0699 214 LEU B CA 5882 C C . LEU B 132 ? 0.4084 0.5316 0.4814 0.0528 0.0224 0.0677 214 LEU B C 5883 O O . LEU B 132 ? 0.4470 0.5630 0.5184 0.0500 0.0194 0.0587 214 LEU B O 5884 C CB . LEU B 132 ? 0.3035 0.4380 0.3601 0.0554 0.0193 0.0606 214 LEU B CB 5885 C CG . LEU B 132 ? 0.2301 0.3720 0.2772 0.0579 0.0195 0.0604 214 LEU B CG 5886 C CD1 . LEU B 132 ? 0.3733 0.5174 0.4127 0.0574 0.0156 0.0506 214 LEU B CD1 5887 C CD2 . LEU B 132 ? 0.1277 0.2843 0.1754 0.0622 0.0222 0.0707 214 LEU B CD2 5888 N N . PRO B 133 ? 0.3394 0.4637 0.4212 0.0537 0.0253 0.0761 215 PRO B N 5889 C CA . PRO B 133 ? 0.3291 0.4457 0.4188 0.0515 0.0253 0.0751 215 PRO B CA 5890 C C . PRO B 133 ? 0.2862 0.4074 0.3780 0.0519 0.0223 0.0711 215 PRO B C 5891 O O . PRO B 133 ? 0.1963 0.3094 0.2905 0.0493 0.0208 0.0656 215 PRO B O 5892 C CB . PRO B 133 ? 0.3353 0.4553 0.4340 0.0534 0.0295 0.0862 215 PRO B CB 5893 C CG . PRO B 133 ? 0.3495 0.4833 0.4459 0.0575 0.0306 0.0931 215 PRO B CG 5894 C CD . PRO B 133 ? 0.3127 0.4466 0.3978 0.0572 0.0290 0.0873 215 PRO B CD 5895 N N . VAL B 134 ? 0.2598 0.3944 0.3510 0.0552 0.0215 0.0743 216 VAL B N 5896 C CA . VAL B 134 ? 0.3160 0.4564 0.4103 0.0558 0.0188 0.0716 216 VAL B CA 5897 C C . VAL B 134 ? 0.2794 0.4146 0.3666 0.0532 0.0151 0.0605 216 VAL B C 5898 O O . VAL B 134 ? 0.2747 0.4049 0.3648 0.0514 0.0133 0.0555 216 VAL B O 5899 C CB . VAL B 134 ? 0.3749 0.5322 0.4714 0.0597 0.0187 0.0784 216 VAL B CB 5900 C CG1 . VAL B 134 ? 0.3428 0.5063 0.4429 0.0600 0.0156 0.0755 216 VAL B CG1 5901 C CG2 . VAL B 134 ? 0.4086 0.5717 0.5139 0.0623 0.0221 0.0898 216 VAL B CG2 5902 N N . ILE B 135 ? 0.3522 0.4889 0.4304 0.0533 0.0142 0.0569 217 ILE B N 5903 C CA . ILE B 135 ? 0.3289 0.4610 0.4003 0.0510 0.0109 0.0465 217 ILE B CA 5904 C C . ILE B 135 ? 0.2840 0.4005 0.3555 0.0468 0.0099 0.0394 217 ILE B C 5905 O O . ILE B 135 ? 0.2119 0.3235 0.2829 0.0444 0.0073 0.0320 217 ILE B O 5906 C CB . ILE B 135 ? 0.3618 0.4986 0.4234 0.0522 0.0104 0.0444 217 ILE B CB 5907 C CG1 . ILE B 135 ? 0.3173 0.4708 0.3788 0.0563 0.0112 0.0514 217 ILE B CG1 5908 C CG2 . ILE B 135 ? 0.4038 0.5359 0.4589 0.0499 0.0071 0.0339 217 ILE B CG2 5909 C CD1 . ILE B 135 ? 0.4223 0.5825 0.4734 0.0578 0.0106 0.0486 217 ILE B CD1 5910 N N . SER B 136 ? 0.2282 0.3376 0.3011 0.0457 0.0122 0.0422 218 SER B N 5911 C CA . SER B 136 ? 0.2439 0.3395 0.3175 0.0415 0.0115 0.0362 218 SER B CA 5912 C C . SER B 136 ? 0.3637 0.4554 0.4436 0.0400 0.0109 0.0349 218 SER B C 5913 O O . SER B 136 ? 0.4686 0.5514 0.5477 0.0366 0.0088 0.0274 218 SER B O 5914 C CB . SER B 136 ? 0.3051 0.3951 0.3798 0.0407 0.0145 0.0409 218 SER B CB 5915 O OG . SER B 136 ? 0.3524 0.4449 0.4207 0.0419 0.0148 0.0410 218 SER B OG 5916 N N . LYS B 137 ? 0.3586 0.4575 0.4451 0.0427 0.0127 0.0424 219 LYS B N 5917 C CA . LYS B 137 ? 0.3492 0.4459 0.4421 0.0420 0.0124 0.0418 219 LYS B CA 5918 C C . LYS B 137 ? 0.4285 0.5282 0.5199 0.0417 0.0089 0.0353 219 LYS B C 5919 O O . LYS B 137 ? 0.5587 0.6525 0.6515 0.0396 0.0075 0.0301 219 LYS B O 5920 C CB . LYS B 137 ? 0.3148 0.4192 0.4165 0.0453 0.0152 0.0517 219 LYS B CB 5921 C CG . LYS B 137 ? 0.3697 0.4716 0.4785 0.0446 0.0151 0.0510 219 LYS B CG 5922 C CD . LYS B 137 ? 0.3963 0.5080 0.5148 0.0485 0.0171 0.0600 219 LYS B CD 5923 C CE . LYS B 137 ? 0.3699 0.4805 0.4947 0.0483 0.0164 0.0582 219 LYS B CE 5924 N NZ . LYS B 137 ? 0.4845 0.6059 0.6200 0.0525 0.0180 0.0664 219 LYS B NZ 5925 N N . LEU B 138 ? 0.0701 0.1793 0.1585 0.0440 0.0079 0.0360 220 LEU B N 5926 C CA . LEU B 138 ? 0.2670 0.3792 0.3539 0.0435 0.0049 0.0302 220 LEU B CA 5927 C C . LEU B 138 ? 0.2461 0.3463 0.3275 0.0394 0.0027 0.0204 220 LEU B C 5928 O O . LEU B 138 ? 0.3629 0.4601 0.4452 0.0376 0.0006 0.0151 220 LEU B O 5929 C CB . LEU B 138 ? 0.3630 0.4876 0.4465 0.0463 0.0043 0.0330 220 LEU B CB 5930 C CG . LEU B 138 ? 0.4136 0.5521 0.5042 0.0501 0.0055 0.0422 220 LEU B CG 5931 C CD1 . LEU B 138 ? 0.4503 0.6016 0.5368 0.0525 0.0048 0.0445 220 LEU B CD1 5932 C CD2 . LEU B 138 ? 0.5010 0.6422 0.5995 0.0502 0.0042 0.0422 220 LEU B CD2 5933 N N . LYS B 139 ? 0.2093 0.3030 0.2858 0.0379 0.0032 0.0186 221 LYS B N 5934 C CA . LYS B 139 ? 0.2374 0.3196 0.3103 0.0337 0.0013 0.0102 221 LYS B CA 5935 C C . LYS B 139 ? 0.2473 0.3204 0.3241 0.0308 0.0007 0.0063 221 LYS B C 5936 O O . LYS B 139 ? 0.2986 0.3646 0.3755 0.0277 -0.0014 0.0000 221 LYS B O 5937 C CB . LYS B 139 ? 0.4503 0.5292 0.5184 0.0331 0.0022 0.0101 221 LYS B CB 5938 C CG . LYS B 139 ? 0.5590 0.6254 0.6258 0.0284 0.0006 0.0029 221 LYS B CG 5939 C CD . LYS B 139 ? 0.7144 0.7769 0.7801 0.0277 0.0016 0.0033 221 LYS B CD 5940 C CE . LYS B 139 ? 0.9318 1.0016 0.9918 0.0308 0.0030 0.0073 221 LYS B CE 5941 N NZ . LYS B 139 ? 1.0769 1.1470 1.1289 0.0301 0.0011 0.0024 221 LYS B NZ 5942 N N . ASN B 140 ? 0.2869 0.3595 0.3658 0.0317 0.0031 0.0118 222 ASN B N 5943 C CA . ASN B 140 ? 0.3317 0.3964 0.4110 0.0291 0.0036 0.0107 222 ASN B CA 5944 C C . ASN B 140 ? 0.3012 0.3680 0.3843 0.0296 0.0031 0.0104 222 ASN B C 5945 O O . ASN B 140 ? 0.4357 0.4952 0.5171 0.0268 0.0031 0.0086 222 ASN B O 5946 C CB . ASN B 140 ? 0.4115 0.4729 0.4947 0.0288 0.0073 0.0186 222 ASN B CB 5947 C CG . ASN B 140 ? 0.3441 0.4015 0.4234 0.0275 0.0080 0.0188 222 ASN B CG 5948 O OD1 . ASN B 140 ? 0.3068 0.3601 0.3799 0.0254 0.0057 0.0119 222 ASN B OD1 5949 N ND2 . ASN B 140 ? 0.2666 0.3260 0.3497 0.0291 0.0114 0.0270 222 ASN B ND2 5950 N N . CYS B 141 ? 0.2710 0.3477 0.3593 0.0329 0.0031 0.0138 223 CYS B N 5951 C CA . CYS B 141 ? 0.2814 0.3618 0.3748 0.0339 0.0027 0.0143 223 CYS B CA 5952 C C . CYS B 141 ? 0.2525 0.3370 0.3455 0.0341 -0.0001 0.0091 223 CYS B C 5953 O O . CYS B 141 ? 0.2843 0.3734 0.3820 0.0352 -0.0006 0.0097 223 CYS B O 5954 C CB . CYS B 141 ? 0.3394 0.4285 0.4412 0.0376 0.0054 0.0240 223 CYS B CB 5955 S SG . CYS B 141 ? 0.7818 0.8648 0.8882 0.0370 0.0092 0.0305 223 CYS B SG 5956 N N . GLY B 142 ? 0.0473 0.1293 0.1362 0.0326 -0.0017 0.0051 224 GLY B N 5957 C CA . GLY B 142 ? 0.2804 0.3644 0.3699 0.0319 -0.0033 0.0033 224 GLY B CA 5958 C C . GLY B 142 ? 0.2295 0.3023 0.3124 0.0275 -0.0032 0.0011 224 GLY B C 5959 O O . GLY B 142 ? 0.0967 0.1589 0.1729 0.0241 -0.0014 0.0025 224 GLY B O 5960 N N . THR B 143 ? 0.0415 0.1193 0.1170 0.0282 -0.0042 -0.0004 225 THR B N 5961 C CA . THR B 143 ? 0.2062 0.2767 0.2666 0.0256 -0.0055 -0.0075 225 THR B CA 5962 C C . THR B 143 ? 0.2692 0.3423 0.3219 0.0267 -0.0062 -0.0102 225 THR B C 5963 O O . THR B 143 ? 0.3187 0.4026 0.3716 0.0298 -0.0065 -0.0087 225 THR B O 5964 C CB . THR B 143 ? 0.3063 0.3785 0.3628 0.0253 -0.0074 -0.0123 225 THR B CB 5965 O OG1 . THR B 143 ? 0.3951 0.4657 0.4583 0.0245 -0.0067 -0.0095 225 THR B OG1 5966 C CG2 . THR B 143 ? 0.3977 0.4589 0.4397 0.0220 -0.0100 -0.0242 225 THR B CG2 5967 N N . TYR B 144 ? 0.3369 0.4007 0.3825 0.0242 -0.0065 -0.0142 226 TYR B N 5968 C CA . TYR B 144 ? 0.3087 0.3751 0.3482 0.0254 -0.0068 -0.0159 226 TYR B CA 5969 C C . TYR B 144 ? 0.2416 0.2987 0.2683 0.0221 -0.0100 -0.0274 226 TYR B C 5970 O O . TYR B 144 ? 0.2235 0.2688 0.2472 0.0178 -0.0119 -0.0340 226 TYR B O 5971 C CB . TYR B 144 ? 0.2386 0.3037 0.2849 0.0256 -0.0045 -0.0094 226 TYR B CB 5972 C CG . TYR B 144 ? 0.1874 0.2540 0.2274 0.0265 -0.0046 -0.0110 226 TYR B CG 5973 C CD1 . TYR B 144 ? 0.2274 0.3055 0.2641 0.0305 -0.0044 -0.0093 226 TYR B CD1 5974 C CD2 . TYR B 144 ? 0.1578 0.2149 0.1946 0.0233 -0.0051 -0.0140 226 TYR B CD2 5975 C CE1 . TYR B 144 ? 0.2124 0.2926 0.2429 0.0317 -0.0044 -0.0104 226 TYR B CE1 5976 C CE2 . TYR B 144 ? 0.2339 0.2929 0.2662 0.0243 -0.0052 -0.0150 226 TYR B CE2 5977 C CZ . TYR B 144 ? 0.1998 0.2704 0.2288 0.0287 -0.0048 -0.0132 226 TYR B CZ 5978 O OH . TYR B 144 ? 0.1219 0.1953 0.1458 0.0301 -0.0048 -0.0139 226 TYR B OH 5979 N N . THR B 145 ? 0.2381 0.3005 0.2579 0.0240 -0.0108 -0.0305 227 THR B N 5980 C CA . THR B 145 ? 0.3138 0.3655 0.3270 0.0201 -0.0123 -0.0361 227 THR B CA 5981 C C . THR B 145 ? 0.2673 0.3237 0.2777 0.0220 -0.0122 -0.0355 227 THR B C 5982 O O . THR B 145 ? 0.2607 0.3318 0.2677 0.0275 -0.0118 -0.0346 227 THR B O 5983 C CB . THR B 145 ? 0.3548 0.4047 0.3663 0.0191 -0.0121 -0.0364 227 THR B CB 5984 O OG1 . THR B 145 ? 0.2348 0.2756 0.2456 0.0163 -0.0107 -0.0350 227 THR B OG1 5985 C CG2 . THR B 145 ? 0.3830 0.4511 0.3918 0.0255 -0.0128 -0.0390 227 THR B CG2 5986 N N . LYS B 146 ? 0.2377 0.2824 0.2494 0.0175 -0.0115 -0.0334 228 LYS B N 5987 C CA . LYS B 146 ? 0.1985 0.2472 0.2086 0.0191 -0.0116 -0.0334 228 LYS B CA 5988 C C . LYS B 146 ? 0.2329 0.2888 0.2390 0.0217 -0.0117 -0.0341 228 LYS B C 5989 O O . LYS B 146 ? 0.2069 0.2756 0.2096 0.0268 -0.0116 -0.0337 228 LYS B O 5990 C CB . LYS B 146 ? 0.1367 0.1712 0.1483 0.0133 -0.0106 -0.0304 228 LYS B CB 5991 C CG . LYS B 146 ? 0.1920 0.2226 0.2080 0.0118 -0.0103 -0.0297 228 LYS B CG 5992 C CD . LYS B 146 ? 0.4861 0.5274 0.5040 0.0163 -0.0112 -0.0323 228 LYS B CD 5993 C CE . LYS B 146 ? 0.5945 0.6305 0.6223 0.0148 -0.0079 -0.0248 228 LYS B CE 5994 N NZ . LYS B 146 ? 0.5858 0.6309 0.6223 0.0198 -0.0029 -0.0128 228 LYS B NZ 5995 N N . ASN B 147 ? 0.1736 0.2218 0.1792 0.0185 -0.0115 -0.0338 229 ASN B N 5996 C CA . ASN B 147 ? 0.1864 0.2490 0.2034 0.0237 -0.0110 -0.0328 229 ASN B CA 5997 C C . ASN B 147 ? 0.2671 0.3469 0.2823 0.0298 -0.0158 -0.0475 229 ASN B C 5998 O O . ASN B 147 ? 0.3875 0.4388 0.3963 0.0200 -0.0119 -0.0393 229 ASN B O 5999 C CB . ASN B 147 ? 0.0470 0.1006 0.0535 0.0202 -0.0127 -0.0379 229 ASN B CB 6000 C CG . ASN B 147 ? 0.3586 0.4107 0.3640 0.0198 -0.0122 -0.0360 229 ASN B CG 6001 O OD1 . ASN B 147 ? 0.4711 0.5237 0.4912 0.0193 -0.0118 -0.0319 229 ASN B OD1 6002 N ND2 . ASN B 147 ? 0.2787 0.3383 0.2797 0.0227 -0.0122 -0.0352 229 ASN B ND2 6003 N N . MSE B 148 ? 0.2498 0.3169 0.2510 0.0249 -0.0124 -0.0388 230 MSE B N 6004 C CA . MSE B 148 ? 0.2434 0.3126 0.2451 0.0254 -0.0126 -0.0409 230 MSE B CA 6005 C C . MSE B 148 ? 0.2781 0.3531 0.2798 0.0269 -0.0141 -0.0438 230 MSE B C 6006 O O . MSE B 148 ? 0.3221 0.4051 0.3199 0.0299 -0.0130 -0.0433 230 MSE B O 6007 C CB . MSE B 148 ? 0.3198 0.4069 0.3212 0.0312 -0.0129 -0.0421 230 MSE B CB 6008 C CG . MSE B 148 ? 0.2173 0.3088 0.2203 0.0321 -0.0135 -0.0451 230 MSE B CG 6009 SE SE . MSE B 148 ? 0.5339 0.6558 0.5350 0.0405 -0.0133 -0.0446 230 MSE B SE 6010 C CE . MSE B 148 ? 0.1849 0.3067 0.1904 0.0397 -0.0144 -0.0490 230 MSE B CE 6011 N N . ARG B 149 ? 0.2133 0.2851 0.2195 0.0258 -0.0152 -0.0470 231 ARG B N 6012 C CA . ARG B 149 ? 0.1686 0.2454 0.1754 0.0275 -0.0162 -0.0505 231 ARG B CA 6013 C C . ARG B 149 ? 0.2195 0.3051 0.2240 0.0300 -0.0165 -0.0522 231 ARG B C 6014 O O . ARG B 149 ? 0.2290 0.3255 0.2548 0.0335 -0.0152 -0.0485 231 ARG B O 6015 C CB . ARG B 149 ? 0.2832 0.3535 0.2955 0.0264 -0.0157 -0.0533 231 ARG B CB 6016 C CG . ARG B 149 ? 0.4702 0.5329 0.4848 0.0240 -0.0152 -0.0512 231 ARG B CG 6017 C CD . ARG B 149 ? 0.5140 0.5855 0.5493 0.0250 -0.0173 -0.0482 231 ARG B CD 6018 N NE . ARG B 149 ? 0.4606 0.5411 0.4998 0.0296 -0.0218 -0.0664 231 ARG B NE 6019 C CZ . ARG B 149 ? 0.4427 0.5273 0.4843 0.0312 -0.0230 -0.0702 231 ARG B CZ 6020 N NH1 . ARG B 149 ? 0.4010 0.4948 0.4421 0.0344 -0.0243 -0.0742 231 ARG B NH1 6021 N NH2 . ARG B 149 ? 0.4505 0.5053 0.4769 0.0217 -0.0169 -0.0562 231 ARG B NH2 6022 N N . PRO B 150 ? 0.3759 0.5066 0.3915 0.0453 -0.0206 -0.0658 232 PRO B N 6023 C CA . PRO B 150 ? 0.3737 0.4780 0.3722 0.0352 -0.0165 -0.0539 232 PRO B CA 6024 C C . PRO B 150 ? 0.4003 0.5066 0.4020 0.0359 -0.0181 -0.0591 232 PRO B C 6025 O O . PRO B 150 ? 0.3721 0.5109 0.3953 0.0479 -0.0239 -0.0766 232 PRO B O 6026 C CB . PRO B 150 ? 0.3349 0.4490 0.3293 0.0391 -0.0138 -0.0523 232 PRO B CB 6027 C CG . PRO B 150 ? 0.2634 0.3834 0.2825 0.0413 -0.0146 -0.0469 232 PRO B CG 6028 C CD . PRO B 150 ? 0.3517 0.4592 0.3733 0.0377 -0.0149 -0.0473 232 PRO B CD 6029 N N . MSE B 151 ? 0.4838 0.6446 0.5006 0.0530 -0.0228 -0.0760 233 MSE B N 6030 C CA . MSE B 151 ? 0.4673 0.6015 0.4973 0.0443 -0.0182 -0.0606 233 MSE B CA 6031 C C . MSE B 151 ? 0.5725 0.6986 0.5736 0.0417 -0.0205 -0.0681 233 MSE B C 6032 O O . MSE B 151 ? 0.6573 0.8033 0.6840 0.0482 -0.0179 -0.0597 233 MSE B O 6033 C CB . MSE B 151 ? 0.3694 0.4990 0.3748 0.0436 -0.0164 -0.0699 233 MSE B CB 6034 C CG . MSE B 151 ? 0.3494 0.4746 0.3580 0.0420 -0.0169 -0.0700 233 MSE B CG 6035 SE SE . MSE B 151 ? 0.9761 1.0948 1.0122 0.0399 -0.0191 -0.0627 233 MSE B SE 6036 C CE . MSE B 151 ? 1.0150 1.1224 1.0295 0.0379 -0.0211 -0.0751 233 MSE B CE 6037 N N . TYR B 152 ? 0.5055 0.6331 0.5098 0.0426 -0.0222 -0.0731 234 TYR B N 6038 C CA . TYR B 152 ? 0.4217 0.5564 0.4251 0.0451 -0.0231 -0.0759 234 TYR B CA 6039 C C . TYR B 152 ? 0.4722 0.6183 0.4738 0.0478 -0.0235 -0.0787 234 TYR B C 6040 O O . TYR B 152 ? 0.5626 0.7654 0.5896 0.0658 -0.0301 -0.1016 234 TYR B O 6041 C CB . TYR B 152 ? 0.3963 0.5251 0.4047 0.0443 -0.0248 -0.0797 234 TYR B CB 6042 C CG . TYR B 152 ? 0.3284 0.4818 0.3680 0.0531 -0.0237 -0.0758 234 TYR B CG 6043 C CD1 . TYR B 152 ? 0.4708 0.6232 0.5082 0.0530 -0.0231 -0.0737 234 TYR B CD1 6044 C CD2 . TYR B 152 ? 0.2266 0.3879 0.2692 0.0558 -0.0251 -0.0806 234 TYR B CD2 6045 C CE1 . TYR B 152 ? 0.5197 0.6607 0.5246 0.0493 -0.0262 -0.0831 234 TYR B CE1 6046 C CE2 . TYR B 152 ? 0.4173 0.5658 0.4256 0.0516 -0.0285 -0.0908 234 TYR B CE2 6047 C CZ . TYR B 152 ? 0.4623 0.6104 0.4685 0.0517 -0.0278 -0.0884 234 TYR B CZ 6048 O OH . TYR B 152 ? 0.3683 0.5232 0.3736 0.0543 -0.0288 -0.0913 234 TYR B OH 6049 N N . PRO B 153 ? 0.4978 0.7141 0.5175 0.0697 -0.0288 -0.0977 235 PRO B N 6050 C CA . PRO B 153 ? 0.4574 0.6334 0.4869 0.0572 -0.0203 -0.0684 235 PRO B CA 6051 C C . PRO B 153 ? 0.4928 0.6669 0.5180 0.0558 -0.0183 -0.0624 235 PRO B C 6052 O O . PRO B 153 ? 0.6182 0.7843 0.6130 0.0539 -0.0151 -0.0695 235 PRO B O 6053 C CB . PRO B 153 ? 0.4878 0.6588 0.4790 0.0547 -0.0223 -0.0763 235 PRO B CB 6054 C CG . PRO B 153 ? 0.5159 0.6933 0.5168 0.0599 -0.0159 -0.0834 235 PRO B CG 6055 C CD . PRO B 153 ? 0.4747 0.6507 0.4790 0.0588 -0.0170 -0.0845 235 PRO B CD 6056 N N . THR B 154 ? 0.4184 0.6302 0.4259 0.0689 -0.0239 -0.0805 236 THR B N 6057 C CA . THR B 154 ? 0.4751 0.6277 0.4622 0.0506 -0.0138 -0.0591 236 THR B CA 6058 C C . THR B 154 ? 0.5378 0.7144 0.5231 0.0566 -0.0129 -0.0573 236 THR B C 6059 O O . THR B 154 ? 0.5675 0.7490 0.5495 0.0582 -0.0121 -0.0533 236 THR B O 6060 C CB . THR B 154 ? 0.4896 0.6493 0.5071 0.0532 -0.0154 -0.0509 236 THR B CB 6061 O OG1 . THR B 154 ? 0.3165 0.4735 0.3369 0.0533 -0.0169 -0.0551 236 THR B OG1 6062 C CG2 . THR B 154 ? 0.6702 0.8029 0.6581 0.0447 -0.0163 -0.0534 236 THR B CG2 6063 N N . LYS B 155 ? 0.4955 0.6895 0.4835 0.0599 -0.0131 -0.0597 237 LYS B N 6064 C CA . LYS B 155 ? 0.5506 0.7721 0.5376 0.0654 -0.0123 -0.0570 237 LYS B CA 6065 C C . LYS B 155 ? 0.5690 0.8051 0.5574 0.0670 -0.0120 -0.0532 237 LYS B C 6066 O O . LYS B 155 ? 0.7122 0.9391 0.7030 0.0646 -0.0129 -0.0552 237 LYS B O 6067 C CB . LYS B 155 ? 0.5444 0.7829 0.5339 0.0689 -0.0133 -0.0629 237 LYS B CB 6068 C CG . LYS B 155 ? 0.5360 0.7657 0.5242 0.0686 -0.0131 -0.0659 237 LYS B CG 6069 C CD . LYS B 155 ? 0.4893 0.7282 0.4731 0.0710 -0.0115 -0.0599 237 LYS B CD 6070 C CE . LYS B 155 ? 0.4204 0.6529 0.4026 0.0711 -0.0113 -0.0627 237 LYS B CE 6071 N NZ . LYS B 155 ? 0.4152 0.6445 0.3921 0.0711 -0.0102 -0.0568 237 LYS B NZ 6072 N N . THR B 156 ? 0.4600 0.7199 0.4470 0.0708 -0.0107 -0.0465 238 THR B N 6073 C CA . THR B 156 ? 0.4583 0.7334 0.4468 0.0718 -0.0100 -0.0395 238 THR B CA 6074 C C . THR B 156 ? 0.4846 0.7625 0.4858 0.0687 -0.0149 -0.0400 238 THR B C 6075 O O . THR B 156 ? 0.5704 0.8368 0.5757 0.0658 -0.0159 -0.0393 238 THR B O 6076 C CB . THR B 156 ? 0.4322 0.7255 0.4263 0.0731 -0.0104 -0.0272 238 THR B CB 6077 O OG1 . THR B 156 ? 0.5649 0.8551 0.5487 0.0755 -0.0061 -0.0243 238 THR B OG1 6078 C CG2 . THR B 156 ? 0.2687 0.5655 0.2766 0.0700 -0.0139 -0.0153 238 THR B CG2 6079 N N . PHE B 157 ? 0.4126 0.7059 0.4200 0.0690 -0.0189 -0.0406 239 PHE B N 6080 C CA . PHE B 157 ? 0.4802 0.7779 0.5002 0.0651 -0.0259 -0.0391 239 PHE B CA 6081 C C . PHE B 157 ? 0.4939 0.7763 0.5136 0.0638 -0.0257 -0.0489 239 PHE B C 6082 O O . PHE B 157 ? 0.4501 0.7289 0.4787 0.0601 -0.0293 -0.0448 239 PHE B O 6083 C CB . PHE B 157 ? 0.4342 0.7500 0.4595 0.0645 -0.0328 -0.0378 239 PHE B CB 6084 C CG . PHE B 157 ? 0.4448 0.7750 0.4801 0.0613 -0.0401 -0.0244 239 PHE B CG 6085 C CD1 . PHE B 157 ? 0.4374 0.7747 0.4714 0.0633 -0.0372 -0.0155 239 PHE B CD1 6086 C CD2 . PHE B 157 ? 0.1642 0.5001 0.2097 0.0561 -0.0504 -0.0206 239 PHE B CD2 6087 C CE1 . PHE B 157 ? 0.3487 0.6991 0.3921 0.0607 -0.0440 -0.0034 239 PHE B CE1 6088 C CE2 . PHE B 157 ? 0.3124 0.6610 0.3664 0.0531 -0.0579 -0.0087 239 PHE B CE2 6089 C CZ . PHE B 157 ? 0.2705 0.6264 0.3236 0.0557 -0.0544 -0.0003 239 PHE B CZ 6090 N N . PRO B 158 ? 0.4635 0.7372 0.4735 0.0669 -0.0216 -0.0619 240 PRO B N 6091 C CA . PRO B 158 ? 0.4438 0.7025 0.4541 0.0658 -0.0215 -0.0709 240 PRO B CA 6092 C C . PRO B 158 ? 0.5062 0.7483 0.5139 0.0634 -0.0193 -0.0688 240 PRO B C 6093 O O . PRO B 158 ? 0.6009 0.8370 0.6160 0.0604 -0.0219 -0.0682 240 PRO B O 6094 C CB . PRO B 158 ? 0.3121 0.5557 0.3172 0.0669 -0.0192 -0.0792 240 PRO B CB 6095 C CG . PRO B 158 ? 0.3407 0.6028 0.3435 0.0706 -0.0189 -0.0785 240 PRO B CG 6096 C CD . PRO B 158 ? 0.4224 0.7005 0.4223 0.0717 -0.0175 -0.0690 240 PRO B CD 6097 N N . ASN B 159 ? 0.4377 0.6701 0.4379 0.0632 -0.0163 -0.0651 241 ASN B N 6098 C CA . ASN B 159 ? 0.3709 0.5860 0.3707 0.0599 -0.0156 -0.0617 241 ASN B CA 6099 C C . ASN B 159 ? 0.3579 0.5835 0.3670 0.0587 -0.0172 -0.0514 241 ASN B C 6100 O O . ASN B 159 ? 0.3801 0.5962 0.3942 0.0560 -0.0183 -0.0508 241 ASN B O 6101 C CB . ASN B 159 ? 0.3453 0.5440 0.3412 0.0577 -0.0142 -0.0568 241 ASN B CB 6102 C CG . ASN B 159 ? 0.5235 0.7005 0.5191 0.0541 -0.0145 -0.0599 241 ASN B CG 6103 O OD1 . ASN B 159 ? 0.5801 0.7354 0.5769 0.0493 -0.0148 -0.0606 241 ASN B OD1 6104 N ND2 . ASN B 159 ? 0.6464 0.8307 0.6402 0.0562 -0.0143 -0.0607 241 ASN B ND2 6105 N N . HIS B 160 ? 0.2838 0.5256 0.2990 0.0596 -0.0184 -0.0413 242 HIS B N 6106 C CA . HIS B 160 ? 0.2302 0.4796 0.2588 0.0573 -0.0215 -0.0292 242 HIS B CA 6107 C C . HIS B 160 ? 0.2197 0.4728 0.2599 0.0542 -0.0268 -0.0289 242 HIS B C 6108 O O . HIS B 160 ? 0.1803 0.4321 0.2300 0.0518 -0.0288 -0.0223 242 HIS B O 6109 C CB . HIS B 160 ? 0.2214 0.4887 0.2544 0.0587 -0.0229 -0.0194 242 HIS B CB 6110 C CG . HIS B 160 ? 0.3155 0.5801 0.3449 0.0604 -0.0190 -0.0126 242 HIS B CG 6111 N ND1 . HIS B 160 ? 0.3623 0.6256 0.3799 0.0633 -0.0150 -0.0150 242 HIS B ND1 6112 C CD2 . HIS B 160 ? 0.3249 0.5878 0.3616 0.0595 -0.0187 -0.0030 242 HIS B CD2 6113 C CE1 . HIS B 160 ? 0.3909 0.6518 0.4092 0.0638 -0.0127 -0.0066 242 HIS B CE1 6114 N NE2 . HIS B 160 ? 0.3438 0.6042 0.3737 0.0617 -0.0147 0.0004 242 HIS B NE2 6115 N N . TYR B 161 ? 0.1714 0.4292 0.2113 0.0542 -0.0294 -0.0358 243 TYR B N 6116 C CA . TYR B 161 ? 0.2337 0.4950 0.2847 0.0507 -0.0356 -0.0351 243 TYR B CA 6117 C C . TYR B 161 ? 0.2822 0.5263 0.3305 0.0497 -0.0333 -0.0432 243 TYR B C 6118 O O . TYR B 161 ? 0.3631 0.6067 0.4211 0.0464 -0.0373 -0.0401 243 TYR B O 6119 C CB . TYR B 161 ? 0.2854 0.5596 0.3389 0.0502 -0.0414 -0.0377 243 TYR B CB 6120 C CG . TYR B 161 ? 0.2941 0.5754 0.3606 0.0451 -0.0509 -0.0329 243 TYR B CG 6121 C CD1 . TYR B 161 ? 0.2664 0.5581 0.3440 0.0420 -0.0567 -0.0211 243 TYR B CD1 6122 C CD2 . TYR B 161 ? 0.2648 0.5420 0.3326 0.0432 -0.0546 -0.0401 243 TYR B CD2 6123 C CE1 . TYR B 161 ? 0.3384 0.6362 0.4274 0.0370 -0.0664 -0.0168 243 TYR B CE1 6124 C CE2 . TYR B 161 ? 0.2680 0.5510 0.3469 0.0375 -0.0647 -0.0350 243 TYR B CE2 6125 C CZ . TYR B 161 ? 0.4003 0.6935 0.4896 0.0343 -0.0707 -0.0235 243 TYR B CZ 6126 O OH . TYR B 161 ? 0.5078 0.8065 0.6079 0.0286 -0.0814 -0.0187 243 TYR B OH 6127 N N . SER B 162 ? 0.3557 0.5857 0.3907 0.0525 -0.0275 -0.0534 244 SER B N 6128 C CA . SER B 162 ? 0.4032 0.6152 0.4342 0.0517 -0.0254 -0.0616 244 SER B CA 6129 C C . SER B 162 ? 0.2878 0.4906 0.3210 0.0493 -0.0243 -0.0553 244 SER B C 6130 O O . SER B 162 ? 0.4329 0.6258 0.4690 0.0472 -0.0248 -0.0574 244 SER B O 6131 C CB . SER B 162 ? 0.4262 0.6250 0.4420 0.0548 -0.0208 -0.0748 244 SER B CB 6132 O OG . SER B 162 ? 0.4690 0.6739 0.4850 0.0574 -0.0215 -0.0825 244 SER B OG 6133 N N . ILE B 163 ? 0.1317 0.3382 0.1643 0.0498 -0.0229 -0.0473 245 ILE B N 6134 C CA . ILE B 163 ? 0.0932 0.2928 0.1299 0.0479 -0.0222 -0.0403 245 ILE B CA 6135 C C . ILE B 163 ? 0.0955 0.3030 0.1475 0.0453 -0.0262 -0.0324 245 ILE B C 6136 O O . ILE B 163 ? 0.4195 0.6177 0.4748 0.0433 -0.0260 -0.0322 245 ILE B O 6137 C CB . ILE B 163 ? 0.1796 0.3840 0.2154 0.0494 -0.0204 -0.0320 245 ILE B CB 6138 C CG1 . ILE B 163 ? 0.2722 0.4662 0.2930 0.0510 -0.0169 -0.0387 245 ILE B CG1 6139 C CG2 . ILE B 163 ? 0.1601 0.3607 0.2042 0.0477 -0.0202 -0.0235 245 ILE B CG2 6140 C CD1 . ILE B 163 ? 0.2743 0.4738 0.2942 0.0527 -0.0152 -0.0304 245 ILE B CD1 6141 N N . VAL B 164 ? 0.4079 0.6331 0.4695 0.0451 -0.0305 -0.0258 246 VAL B N 6142 C CA . VAL B 164 ? 0.3728 0.6073 0.4498 0.0423 -0.0356 -0.0174 246 VAL B CA 6143 C C . VAL B 164 ? 0.4293 0.6643 0.5116 0.0396 -0.0401 -0.0214 246 VAL B C 6144 O O . VAL B 164 ? 0.5493 0.7913 0.6444 0.0368 -0.0452 -0.0151 246 VAL B O 6145 C CB . VAL B 164 ? 0.2546 0.5078 0.3403 0.0426 -0.0399 -0.0078 246 VAL B CB 6146 C CG1 . VAL B 164 ? 0.2160 0.4691 0.2999 0.0450 -0.0359 -0.0017 246 VAL B CG1 6147 C CG2 . VAL B 164 ? 0.3207 0.5839 0.4024 0.0433 -0.0426 -0.0113 246 VAL B CG2 6148 N N . THR B 165 ? 0.2249 0.4525 0.2979 0.0406 -0.0383 -0.0319 247 THR B N 6149 C CA . THR B 165 ? 0.4274 0.6542 0.5053 0.0382 -0.0424 -0.0360 247 THR B CA 6150 C C . THR B 165 ? 0.5762 0.7841 0.6460 0.0388 -0.0377 -0.0458 247 THR B C 6151 O O . THR B 165 ? 0.5401 0.7452 0.6156 0.0365 -0.0405 -0.0471 247 THR B O 6152 C CB . THR B 165 ? 0.5128 0.7490 0.5898 0.0385 -0.0464 -0.0402 247 THR B CB 6153 O OG1 . THR B 165 ? 0.4423 0.6721 0.5054 0.0430 -0.0403 -0.0494 247 THR B OG1 6154 C CG2 . THR B 165 ? 0.5914 0.8465 0.6777 0.0366 -0.0535 -0.0302 247 THR B CG2 6155 N N . GLY B 166 ? 0.6435 0.8384 0.7000 0.0416 -0.0315 -0.0525 248 GLY B N 6156 C CA . GLY B 166 ? 0.5961 0.7716 0.6435 0.0422 -0.0278 -0.0629 248 GLY B CA 6157 C C . GLY B 166 ? 0.5453 0.7172 0.5895 0.0440 -0.0281 -0.0740 248 GLY B C 6158 O O . GLY B 166 ? 0.0886 0.2462 0.1298 0.0441 -0.0266 -0.0820 248 GLY B O 6159 N N . LEU B 167 ? 0.4766 0.6616 0.5225 0.0456 -0.0301 -0.0743 249 LEU B N 6160 C CA . LEU B 167 ? 0.3738 0.5580 0.4192 0.0477 -0.0310 -0.0838 249 LEU B CA 6161 C C . LEU B 167 ? 0.3337 0.5145 0.3669 0.0526 -0.0264 -0.0936 249 LEU B C 6162 O O . LEU B 167 ? 0.3723 0.5582 0.3994 0.0536 -0.0246 -0.0902 249 LEU B O 6163 C CB . LEU B 167 ? 0.3106 0.5133 0.3689 0.0446 -0.0392 -0.0764 249 LEU B CB 6164 C CG . LEU B 167 ? 0.2766 0.4833 0.3478 0.0389 -0.0456 -0.0678 249 LEU B CG 6165 C CD1 . LEU B 167 ? 0.2727 0.4970 0.3543 0.0345 -0.0560 -0.0604 249 LEU B CD1 6166 C CD2 . LEU B 167 ? 0.3646 0.5569 0.4355 0.0392 -0.0441 -0.0756 249 LEU B CD2 6167 N N . TYR B 168 ? 0.2253 0.3921 0.2598 0.0518 -0.0264 -0.0969 250 TYR B N 6168 C CA . TYR B 168 ? 0.2913 0.4496 0.3222 0.0511 -0.0248 -0.0946 250 TYR B CA 6169 C C . TYR B 168 ? 0.4507 0.6374 0.4826 0.0571 -0.0270 -0.1009 250 TYR B C 6170 O O . TYR B 168 ? 0.4649 0.6700 0.5048 0.0578 -0.0320 -0.1025 250 TYR B O 6171 C CB . TYR B 168 ? 0.3366 0.4763 0.3696 0.0486 -0.0244 -0.0944 250 TYR B CB 6172 C CG . TYR B 168 ? 0.4134 0.5261 0.4427 0.0421 -0.0212 -0.0858 250 TYR B CG 6173 C CD1 . TYR B 168 ? 0.4161 0.5191 0.4376 0.0366 -0.0224 -0.0795 250 TYR B CD1 6174 C CD2 . TYR B 168 ? 0.5174 0.6195 0.5501 0.0403 -0.0213 -0.0857 250 TYR B CD2 6175 C CE1 . TYR B 168 ? 0.4884 0.5992 0.5371 0.0373 -0.0243 -0.0700 250 TYR B CE1 6176 C CE2 . TYR B 168 ? 0.4806 0.5909 0.5368 0.0381 -0.0268 -0.0752 250 TYR B CE2 6177 C CZ . TYR B 168 ? 0.5058 0.5934 0.5351 0.0333 -0.0232 -0.0789 250 TYR B CZ 6178 O OH . TYR B 168 ? 0.4264 0.5054 0.4583 0.0309 -0.0228 -0.0762 250 TYR B OH 6179 N N . PRO B 169 ? 0.4220 0.6090 0.4488 0.0575 -0.0253 -0.0976 251 PRO B N 6180 C CA . PRO B 169 ? 0.3111 0.5257 0.3380 0.0629 -0.0269 -0.1023 251 PRO B CA 6181 C C . PRO B 169 ? 0.3113 0.5372 0.3453 0.0659 -0.0310 -0.1113 251 PRO B C 6182 O O . PRO B 169 ? 0.3792 0.6208 0.4199 0.0622 -0.0394 -0.1040 251 PRO B O 6183 C CB . PRO B 169 ? 0.4205 0.6230 0.4415 0.0614 -0.0241 -0.0965 251 PRO B CB 6184 C CG . PRO B 169 ? 0.4297 0.6080 0.4463 0.0559 -0.0213 -0.0883 251 PRO B CG 6185 C CD . PRO B 169 ? 0.3941 0.5575 0.4145 0.0527 -0.0218 -0.0891 251 PRO B CD 6186 N N . GLU B 170 ? 0.3168 0.5218 0.3538 0.0641 -0.0307 -0.1131 252 GLU B N 6187 C CA . GLU B 170 ? 0.3281 0.5430 0.3726 0.0679 -0.0351 -0.1231 252 GLU B CA 6188 C C . GLU B 170 ? 0.4113 0.6323 0.4644 0.0612 -0.0447 -0.1166 252 GLU B C 6189 O O . GLU B 170 ? 0.4792 0.7050 0.5378 0.0577 -0.0538 -0.1164 252 GLU B O 6190 C CB . GLU B 170 ? 0.4093 0.5962 0.4554 0.0642 -0.0334 -0.1195 252 GLU B CB 6191 C CG . GLU B 170 ? 0.4653 0.6322 0.5121 0.0594 -0.0318 -0.1145 252 GLU B CG 6192 C CD . GLU B 170 ? 0.6124 0.7578 0.6606 0.0564 -0.0302 -0.1110 252 GLU B CD 6193 O OE1 . GLU B 170 ? 0.5121 0.6556 0.5601 0.0575 -0.0295 -0.1112 252 GLU B OE1 6194 O OE2 . GLU B 170 ? 0.7022 0.8344 0.7517 0.0532 -0.0294 -0.1077 252 GLU B OE2 6195 N N . SER B 171 ? 0.3307 0.5489 0.3845 0.0571 -0.0443 -0.1086 253 SER B N 6196 C CA . SER B 171 ? 0.3267 0.5476 0.3897 0.0492 -0.0535 -0.0995 253 SER B CA 6197 C C . SER B 171 ? 0.3595 0.5952 0.4266 0.0429 -0.0607 -0.0857 253 SER B C 6198 O O . SER B 171 ? 0.3998 0.6421 0.4745 0.0355 -0.0715 -0.0778 253 SER B O 6199 C CB . SER B 171 ? 0.3590 0.5644 0.4230 0.0494 -0.0486 -0.1012 253 SER B CB 6200 O OG . SER B 171 ? 0.3628 0.5548 0.4261 0.0542 -0.0448 -0.1129 253 SER B OG 6201 N N . HIS B 172 ? 0.3244 0.5645 0.3864 0.0456 -0.0553 -0.0824 254 HIS B N 6202 C CA . HIS B 172 ? 0.3098 0.5635 0.3772 0.0407 -0.0617 -0.0692 254 HIS B CA 6203 C C . HIS B 172 ? 0.2989 0.5675 0.3646 0.0398 -0.0683 -0.0666 254 HIS B C 6204 O O . HIS B 172 ? 0.3485 0.6287 0.4185 0.0361 -0.0746 -0.0562 254 HIS B O 6205 C CB . HIS B 172 ? 0.3187 0.5692 0.3838 0.0428 -0.0542 -0.0640 254 HIS B CB 6206 C CG . HIS B 172 ? 0.3930 0.6403 0.4463 0.0489 -0.0451 -0.0695 254 HIS B CG 6207 N ND1 . HIS B 172 ? 0.4863 0.7455 0.5358 0.0510 -0.0459 -0.0694 254 HIS B ND1 6208 C CD2 . HIS B 172 ? 0.4290 0.6622 0.4724 0.0524 -0.0362 -0.0744 254 HIS B CD2 6209 C CE1 . HIS B 172 ? 0.4361 0.6895 0.4747 0.0560 -0.0371 -0.0740 254 HIS B CE1 6210 N NE2 . HIS B 172 ? 0.4339 0.6708 0.4679 0.0564 -0.0318 -0.0771 254 HIS B NE2 6211 N N . GLY B 173 ? 0.3268 0.5947 0.3864 0.0432 -0.0672 -0.0761 255 GLY B N 6212 C CA . GLY B 173 ? 0.3964 0.6769 0.4530 0.0412 -0.0755 -0.0744 255 GLY B CA 6213 C C . GLY B 173 ? 0.3084 0.5964 0.3578 0.0468 -0.0688 -0.0750 255 GLY B C 6214 O O . GLY B 173 ? 0.3191 0.6137 0.3631 0.0478 -0.0723 -0.0785 255 GLY B O 6215 N N . ILE B 174 ? 0.2173 0.5039 0.2657 0.0500 -0.0601 -0.0710 256 ILE B N 6216 C CA . ILE B 174 ? 0.2367 0.5303 0.2780 0.0547 -0.0539 -0.0701 256 ILE B CA 6217 C C . ILE B 174 ? 0.3228 0.6064 0.3549 0.0624 -0.0422 -0.0825 256 ILE B C 6218 O O . ILE B 174 ? 0.5002 0.7721 0.5264 0.0650 -0.0336 -0.0846 256 ILE B O 6219 C CB . ILE B 174 ? 0.2350 0.5311 0.2782 0.0539 -0.0512 -0.0592 256 ILE B CB 6220 C CG1 . ILE B 174 ? 0.1876 0.4920 0.2419 0.0469 -0.0624 -0.0477 256 ILE B CG1 6221 C CG2 . ILE B 174 ? 0.1540 0.4596 0.1907 0.0577 -0.0470 -0.0561 256 ILE B CG2 6222 C CD1 . ILE B 174 ? 0.2148 0.5334 0.2701 0.0429 -0.0744 -0.0435 256 ILE B CD1 6223 N N . ILE B 175 ? 0.2512 0.5387 0.2812 0.0654 -0.0433 -0.0907 257 ILE B N 6224 C CA . ILE B 175 ? 0.2345 0.5137 0.2581 0.0732 -0.0332 -0.1035 257 ILE B CA 6225 C C . ILE B 175 ? 0.2857 0.5671 0.3001 0.0770 -0.0257 -0.1016 257 ILE B C 6226 O O . ILE B 175 ? 0.4438 0.6949 0.4554 0.0724 -0.0228 -0.0958 257 ILE B O 6227 C CB . ILE B 175 ? 0.3398 0.6233 0.3672 0.0751 -0.0379 -0.1117 257 ILE B CB 6228 C CG1 . ILE B 175 ? 0.3891 0.6604 0.4229 0.0733 -0.0411 -0.1171 257 ILE B CG1 6229 C CG2 . ILE B 175 ? 0.3310 0.6091 0.3547 0.0809 -0.0307 -0.1174 257 ILE B CG2 6230 C CD1 . ILE B 175 ? 0.3221 0.5951 0.3612 0.0635 -0.0533 -0.1077 257 ILE B CD1 6231 N N . ASP B 176 ? 0.2271 0.5272 0.2417 0.0765 -0.0296 -0.0945 258 ASP B N 6232 C CA . ASP B 176 ? 0.3630 0.6692 0.3690 0.0807 -0.0228 -0.0921 258 ASP B CA 6233 C C . ASP B 176 ? 0.3619 0.6832 0.3712 0.0765 -0.0292 -0.0778 258 ASP B C 6234 O O . ASP B 176 ? 0.3504 0.6774 0.3673 0.0705 -0.0398 -0.0712 258 ASP B O 6235 C CB . ASP B 176 ? 0.4550 0.7583 0.4615 0.0827 -0.0231 -0.0960 258 ASP B CB 6236 C CG . ASP B 176 ? 0.5036 0.7905 0.5047 0.0808 -0.0194 -0.0878 258 ASP B CG 6237 O OD1 . ASP B 176 ? 0.4654 0.7574 0.4623 0.0803 -0.0174 -0.0799 258 ASP B OD1 6238 O OD2 . ASP B 176 ? 0.5514 0.8219 0.5527 0.0797 -0.0185 -0.0890 258 ASP B OD2 6239 N N . ASN B 177 ? 0.4135 0.7403 0.4163 0.0794 -0.0236 -0.0728 259 ASN B N 6240 C CA . ASN B 177 ? 0.4921 0.8343 0.4984 0.0767 -0.0293 -0.0597 259 ASN B CA 6241 C C . ASN B 177 ? 0.4836 0.8399 0.4917 0.0748 -0.0395 -0.0596 259 ASN B C 6242 O O . ASN B 177 ? 0.3451 0.7097 0.3568 0.0690 -0.0504 -0.0503 259 ASN B O 6243 C CB . ASN B 177 ? 0.4717 0.8168 0.4700 0.0808 -0.0210 -0.0549 259 ASN B CB 6244 C CG . ASN B 177 ? 0.5271 0.8576 0.5217 0.0797 -0.0160 -0.0504 259 ASN B CG 6245 O OD1 . ASN B 177 ? 0.5965 0.9175 0.5968 0.0759 -0.0188 -0.0493 259 ASN B OD1 6246 N ND2 . ASN B 177 ? 0.5355 0.8608 0.5220 0.0815 -0.0107 -0.0463 259 ASN B ND2 6247 N N . LYS B 178 ? 0.5178 0.8752 0.5218 0.0792 -0.0370 -0.0700 260 LYS B N 6248 C CA . LYS B 178 ? 0.3933 0.7592 0.3943 0.0763 -0.0485 -0.0714 260 LYS B CA 6249 C C . LYS B 178 ? 0.4445 0.8006 0.4466 0.0761 -0.0513 -0.0832 260 LYS B C 6250 O O . LYS B 178 ? 0.4477 0.7988 0.4516 0.0831 -0.0416 -0.0935 260 LYS B O 6251 C CB . LYS B 178 ? 0.2077 0.5851 0.2021 0.0813 -0.0451 -0.0717 260 LYS B CB 6252 N N . MSE B 179 ? 0.5437 0.8965 0.5444 0.0678 -0.0652 -0.0814 261 MSE B N 6253 C CA . MSE B 179 ? 0.5753 0.9172 0.5761 0.0660 -0.0695 -0.0911 261 MSE B CA 6254 C C . MSE B 179 ? 0.6260 0.9661 0.6153 0.0558 -0.0877 -0.0889 261 MSE B C 6255 O O . MSE B 179 ? 0.5189 0.8660 0.5013 0.0503 -0.0970 -0.0797 261 MSE B O 6256 C CB . MSE B 179 ? 0.5478 0.8788 0.5593 0.0659 -0.0646 -0.0923 261 MSE B CB 6257 C CG . MSE B 179 ? 0.4632 0.7963 0.4794 0.0600 -0.0689 -0.0802 261 MSE B CG 6258 SE SE . MSE B 179 ? 0.9179 1.2366 0.9441 0.0549 -0.0717 -0.0805 261 MSE B SE 6259 C CE . MSE B 179 ? 0.2896 0.6165 0.3224 0.0490 -0.0769 -0.0634 261 MSE B CE 6260 N N . TYR B 180 ? 0.6686 0.9977 0.6544 0.0531 -0.0932 -0.0974 262 TYR B N 6261 C CA . TYR B 180 ? 0.7091 1.0320 0.6783 0.0426 -0.1106 -0.0971 262 TYR B CA 6262 C C . TYR B 180 ? 0.7195 1.0295 0.6925 0.0373 -0.1166 -0.1012 262 TYR B C 6263 O O . TYR B 180 ? 0.8307 1.1343 0.8129 0.0430 -0.1078 -0.1094 262 TYR B O 6264 C CB . TYR B 180 ? 0.8039 1.1243 0.7533 0.0434 -0.1133 -0.1046 262 TYR B CB 6265 C CG . TYR B 180 ? 0.9374 1.2451 0.8639 0.0323 -0.1304 -0.1072 262 TYR B CG 6266 C CD1 . TYR B 180 ? 0.9771 1.2862 0.8869 0.0238 -0.1440 -0.0994 262 TYR B CD1 6267 C CD2 . TYR B 180 ? 0.9783 1.2715 0.8988 0.0301 -0.1331 -0.1174 262 TYR B CD2 6268 C CE1 . TYR B 180 ? 1.0568 1.3521 0.9429 0.0132 -0.1600 -0.1022 262 TYR B CE1 6269 C CE2 . TYR B 180 ? 1.0319 1.3112 0.9287 0.0192 -0.1486 -0.1200 262 TYR B CE2 6270 C CZ . TYR B 180 ? 1.0882 1.3680 0.9670 0.0106 -0.1621 -0.1126 262 TYR B CZ 6271 O OH . TYR B 180 ? 1.1262 1.3903 0.9792 -0.0005 -0.1781 -0.1157 262 TYR B OH 6272 N N . ASP B 181 ? 0.5707 0.8769 0.5367 0.0263 -0.1322 -0.0951 263 ASP B N 6273 C CA . ASP B 181 ? 0.5265 0.8206 0.4944 0.0195 -0.1401 -0.0976 263 ASP B CA 6274 C C . ASP B 181 ? 0.5681 0.8501 0.5119 0.0110 -0.1544 -0.1034 263 ASP B C 6275 O O . ASP B 181 ? 0.7470 1.0290 0.6742 0.0034 -0.1676 -0.0986 263 ASP B O 6276 C CB . ASP B 181 ? 0.5834 0.8807 0.5619 0.0128 -0.1478 -0.0861 263 ASP B CB 6277 C CG . ASP B 181 ? 0.6067 0.8930 0.5912 0.0068 -0.1537 -0.0875 263 ASP B CG 6278 O OD1 . ASP B 181 ? 0.6672 0.9417 0.6411 0.0037 -0.1584 -0.0960 263 ASP B OD1 6279 O OD2 . ASP B 181 ? 0.5455 0.8344 0.5447 0.0050 -0.1537 -0.0798 263 ASP B OD2 6280 N N . PRO B 182 ? 0.4880 0.7584 0.4285 0.0125 -0.1518 -0.1143 264 PRO B N 6281 C CA . PRO B 182 ? 0.5918 0.8472 0.5072 0.0046 -0.1635 -0.1218 264 PRO B CA 6282 C C . PRO B 182 ? 0.7069 0.9532 0.6128 -0.0093 -0.1816 -0.1166 264 PRO B C 6283 O O . PRO B 182 ? 0.8747 1.1121 0.7548 -0.0179 -0.1950 -0.1178 264 PRO B O 6284 C CB . PRO B 182 ? 0.5876 0.8339 0.5100 0.0108 -0.1544 -0.1331 264 PRO B CB 6285 C CG . PRO B 182 ? 0.6269 0.8827 0.5776 0.0215 -0.1392 -0.1314 264 PRO B CG 6286 C CD . PRO B 182 ? 0.5710 0.8411 0.5318 0.0226 -0.1366 -0.1201 264 PRO B CD 6287 N N . LYS B 183 ? 0.6743 0.9216 0.5994 -0.0115 -0.1823 -0.1111 265 LYS B N 6288 C CA . LYS B 183 ? 0.6838 0.9229 0.6027 -0.0246 -0.1997 -0.1058 265 LYS B CA 6289 C C . LYS B 183 ? 0.7452 0.9909 0.6580 -0.0303 -0.2126 -0.0955 265 LYS B C 6290 O O . LYS B 183 ? 0.7740 1.0098 0.6682 -0.0408 -0.2303 -0.0944 265 LYS B O 6291 C CB . LYS B 183 ? 0.5999 0.8395 0.5420 -0.0248 -0.1963 -0.1020 265 LYS B CB 6292 N N . MSE B 184 ? 0.7484 1.0101 0.6768 -0.0230 -0.2039 -0.0882 266 MSE B N 6293 C CA . MSE B 184 ? 0.8880 1.1583 0.8149 -0.0262 -0.2143 -0.0781 266 MSE B CA 6294 C C . MSE B 184 ? 0.9375 1.2080 0.8400 -0.0261 -0.2186 -0.0804 266 MSE B C 6295 O O . MSE B 184 ? 1.0260 1.2997 0.9202 -0.0301 -0.2311 -0.0740 266 MSE B O 6296 C CB . MSE B 184 ? 0.9531 1.2399 0.9053 -0.0186 -0.2025 -0.0694 266 MSE B CB 6297 C CG . MSE B 184 ? 0.9600 1.2466 0.9342 -0.0198 -0.2005 -0.0650 266 MSE B CG 6298 SE SE . MSE B 184 ? 1.7127 2.0167 1.7132 -0.0105 -0.1847 -0.0550 266 MSE B SE 6299 C CE . MSE B 184 ? 0.5294 0.8459 0.5204 -0.0125 -0.1967 -0.0460 266 MSE B CE 6300 N N . ASN B 185 ? 0.8747 1.1416 0.7661 -0.0207 -0.2081 -0.0900 267 ASN B N 6301 C CA . ASN B 185 ? 0.9866 1.2538 0.8545 -0.0193 -0.2091 -0.0927 267 ASN B CA 6302 C C . ASN B 185 ? 0.9984 1.2834 0.8750 -0.0143 -0.2055 -0.0826 267 ASN B C 6303 O O . ASN B 185 ? 1.0706 1.3562 0.9294 -0.0181 -0.2164 -0.0785 267 ASN B O 6304 C CB . ASN B 185 ? 1.1462 1.3965 0.9820 -0.0304 -0.2284 -0.0959 267 ASN B CB 6305 C CG . ASN B 185 ? 1.3483 1.5938 1.1545 -0.0292 -0.2278 -0.1017 267 ASN B CG 6306 O OD1 . ASN B 185 ? 1.3226 1.5731 1.1304 -0.0205 -0.2125 -0.1070 267 ASN B OD1 6307 N ND2 . ASN B 185 ? 1.6042 1.8394 1.3827 -0.0372 -0.2448 -0.1007 267 ASN B ND2 6308 N N . ALA B 186 ? 0.9355 1.2339 0.8386 -0.0057 -0.1903 -0.0786 268 ALA B N 6309 C CA . ALA B 186 ? 0.9026 1.2177 0.8158 -0.0009 -0.1854 -0.0686 268 ALA B CA 6310 C C . ALA B 186 ? 0.7834 1.1083 0.7137 0.0107 -0.1646 -0.0703 268 ALA B C 6311 O O . ALA B 186 ? 0.8511 1.1724 0.7957 0.0150 -0.1545 -0.0757 268 ALA B O 6312 C CB . ALA B 186 ? 0.9113 1.2326 0.8411 -0.0050 -0.1933 -0.0577 268 ALA B CB 6313 N N . SER B 187 ? 0.6544 0.9910 0.5826 0.0159 -0.1588 -0.0657 269 SER B N 6314 C CA . SER B 187 ? 0.5880 0.9337 0.5307 0.0269 -0.1399 -0.0668 269 SER B CA 6315 C C . SER B 187 ? 0.6211 0.9775 0.5848 0.0297 -0.1335 -0.0561 269 SER B C 6316 O O . SER B 187 ? 0.6577 1.0177 0.6244 0.0239 -0.1438 -0.0468 269 SER B O 6317 C CB . SER B 187 ? 0.6524 1.0037 0.5797 0.0312 -0.1362 -0.0684 269 SER B CB 6318 O OG . SER B 187 ? 0.8081 1.1475 0.7144 0.0293 -0.1401 -0.0794 269 SER B OG 6319 N N . PHE B 188 ? 0.5993 0.9597 0.5763 0.0387 -0.1164 -0.0579 270 PHE B N 6320 C CA . PHE B 188 ? 0.5506 0.9175 0.5438 0.0415 -0.1086 -0.0489 270 PHE B CA 6321 C C . PHE B 188 ? 0.5196 0.8958 0.5140 0.0496 -0.0956 -0.0462 270 PHE B C 6322 O O . PHE B 188 ? 0.5998 0.9752 0.5904 0.0562 -0.0860 -0.0544 270 PHE B O 6323 C CB . PHE B 188 ? 0.6472 1.0046 0.6536 0.0432 -0.1006 -0.0530 270 PHE B CB 6324 C CG . PHE B 188 ? 0.6750 1.0348 0.6941 0.0448 -0.0937 -0.0443 270 PHE B CG 6325 C CD1 . PHE B 188 ? 0.6260 0.9846 0.6480 0.0525 -0.0779 -0.0457 270 PHE B CD1 6326 C CD2 . PHE B 188 ? 0.6704 1.0323 0.6971 0.0384 -0.1034 -0.0349 270 PHE B CD2 6327 C CE1 . PHE B 188 ? 0.5744 0.9322 0.6044 0.0531 -0.0724 -0.0379 270 PHE B CE1 6328 C CE2 . PHE B 188 ? 0.6101 0.9733 0.6477 0.0399 -0.0971 -0.0271 270 PHE B CE2 6329 C CZ . PHE B 188 ? 0.5930 0.9534 0.6313 0.0470 -0.0819 -0.0285 270 PHE B CZ 6330 N N . SER B 189 ? 0.4397 0.8246 0.4399 0.0492 -0.0957 -0.0345 271 SER B N 6331 C CA . SER B 189 ? 0.6273 1.0202 0.6288 0.0559 -0.0840 -0.0301 271 SER B CA 6332 C C . SER B 189 ? 0.6472 1.0442 0.6595 0.0550 -0.0826 -0.0179 271 SER B C 6333 O O . SER B 189 ? 0.7141 1.1123 0.7316 0.0489 -0.0935 -0.0114 271 SER B O 6334 C CB . SER B 189 ? 0.8503 1.2527 0.8383 0.0562 -0.0892 -0.0280 271 SER B CB 6335 O OG . SER B 189 ? 0.9289 1.3397 0.9190 0.0626 -0.0781 -0.0229 271 SER B OG 6336 N N . LEU B 190 ? 0.6417 1.0403 0.6569 0.0608 -0.0698 -0.0148 272 LEU B N 6337 C CA . LEU B 190 ? 0.7280 1.1289 0.7521 0.0602 -0.0680 -0.0032 272 LEU B CA 6338 C C . LEU B 190 ? 0.8167 1.2316 0.8408 0.0573 -0.0781 0.0084 272 LEU B C 6339 O O . LEU B 190 ? 0.8778 1.2960 0.9105 0.0536 -0.0846 0.0174 272 LEU B O 6340 C CB . LEU B 190 ? 0.6628 1.0588 0.6860 0.0664 -0.0529 -0.0028 272 LEU B CB 6341 C CG . LEU B 190 ? 0.6174 0.9975 0.6367 0.0695 -0.0430 -0.0145 272 LEU B CG 6342 C CD1 . LEU B 190 ? 0.5450 0.9163 0.5608 0.0731 -0.0316 -0.0117 272 LEU B CD1 6343 C CD2 . LEU B 190 ? 0.5979 0.9682 0.6237 0.0650 -0.0481 -0.0182 272 LEU B CD2 6344 N N . LYS B 191 ? 0.7803 1.2034 0.7941 0.0591 -0.0796 0.0080 273 LYS B N 6345 C CA . LYS B 191 ? 0.6666 1.1016 0.6766 0.0560 -0.0905 0.0182 273 LYS B CA 6346 C C . LYS B 191 ? 0.6320 1.0657 0.6305 0.0495 -0.1064 0.0141 273 LYS B C 6347 O O . LYS B 191 ? 0.7235 1.1595 0.7064 0.0492 -0.1111 0.0112 273 LYS B O 6348 C CB . LYS B 191 ? 0.5208 0.9644 0.5237 0.0612 -0.0837 0.0214 273 LYS B CB 6349 N N . SER B 192 ? 0.4700 0.8984 0.4746 0.0440 -0.1151 0.0140 274 SER B N 6350 C CA . SER B 192 ? 0.4638 0.8878 0.4570 0.0369 -0.1311 0.0099 274 SER B CA 6351 C C . SER B 192 ? 0.6052 1.0287 0.6093 0.0311 -0.1413 0.0156 274 SER B C 6352 O O . SER B 192 ? 0.6204 1.0439 0.6410 0.0328 -0.1342 0.0194 274 SER B O 6353 C CB . SER B 192 ? 0.4507 0.8629 0.4363 0.0371 -0.1284 -0.0041 274 SER B CB 6354 O OG . SER B 192 ? 0.4878 0.8929 0.4607 0.0294 -0.1443 -0.0080 274 SER B OG 6355 N N . LYS B 193 ? 0.6850 1.1073 0.6784 0.0241 -0.1583 0.0159 275 LYS B N 6356 C CA . LYS B 193 ? 0.6465 1.0695 0.6496 0.0185 -0.1696 0.0208 275 LYS B CA 6357 C C . LYS B 193 ? 0.6287 1.0398 0.6385 0.0162 -0.1688 0.0126 275 LYS B C 6358 O O . LYS B 193 ? 0.6458 1.0572 0.6691 0.0134 -0.1728 0.0163 275 LYS B O 6359 C CB . LYS B 193 ? 0.6505 1.0753 0.6377 0.0120 -0.1886 0.0233 275 LYS B CB 6360 N N . GLU B 194 ? 0.6000 1.0010 0.6002 0.0175 -0.1636 0.0016 276 GLU B N 6361 C CA . GLU B 194 ? 0.6150 1.0039 0.6200 0.0156 -0.1623 -0.0068 276 GLU B CA 6362 C C . GLU B 194 ? 0.6177 1.0053 0.6414 0.0205 -0.1474 -0.0059 276 GLU B C 6363 O O . GLU B 194 ? 0.5968 0.9755 0.6275 0.0186 -0.1470 -0.0101 276 GLU B O 6364 C CB . GLU B 194 ? 0.5826 0.9617 0.5717 0.0163 -0.1602 -0.0189 276 GLU B CB 6365 C CG . GLU B 194 ? 0.6671 1.0387 0.6356 0.0085 -0.1778 -0.0228 276 GLU B CG 6366 C CD . GLU B 194 ? 0.8088 1.1707 0.7811 0.0014 -0.1891 -0.0249 276 GLU B CD 6367 O OE1 . GLU B 194 ? 0.7532 1.1136 0.7438 0.0028 -0.1820 -0.0245 276 GLU B OE1 6368 O OE2 . GLU B 194 ? 0.9459 1.3007 0.9017 -0.0056 -0.2054 -0.0271 276 GLU B OE2 6369 N N . LYS B 195 ? 0.5790 0.9740 0.6086 0.0267 -0.1355 -0.0005 277 LYS B N 6370 C CA . LYS B 195 ? 0.6307 1.0223 0.6739 0.0311 -0.1219 0.0007 277 LYS B CA 6371 C C . LYS B 195 ? 0.6279 1.0194 0.6845 0.0268 -0.1283 0.0071 277 LYS B C 6372 O O . LYS B 195 ? 0.6123 0.9953 0.6772 0.0274 -0.1220 0.0045 277 LYS B O 6373 C CB . LYS B 195 ? 0.6655 1.0644 0.7105 0.0373 -0.1108 0.0070 277 LYS B CB 6374 C CG . LYS B 195 ? 0.5796 0.9732 0.6357 0.0407 -0.0991 0.0100 277 LYS B CG 6375 C CD . LYS B 195 ? 0.5812 0.9835 0.6408 0.0441 -0.0939 0.0204 277 LYS B CD 6376 C CE . LYS B 195 ? 0.5607 0.9565 0.6305 0.0457 -0.0860 0.0246 277 LYS B CE 6377 N NZ . LYS B 195 ? 0.5862 0.9897 0.6600 0.0484 -0.0822 0.0355 277 LYS B NZ 6378 N N . PHE B 196 ? 0.6100 1.0112 0.6681 0.0225 -0.1411 0.0153 278 PHE B N 6379 C CA . PHE B 196 ? 0.5272 0.9317 0.5990 0.0190 -0.1475 0.0222 278 PHE B CA 6380 C C . PHE B 196 ? 0.5323 0.9300 0.6038 0.0125 -0.1597 0.0172 278 PHE B C 6381 O O . PHE B 196 ? 0.6312 1.0335 0.7125 0.0087 -0.1681 0.0224 278 PHE B O 6382 C CB . PHE B 196 ? 0.3070 0.7262 0.3815 0.0180 -0.1552 0.0335 278 PHE B CB 6383 C CG . PHE B 196 ? 0.2954 0.7212 0.3723 0.0241 -0.1439 0.0400 278 PHE B CG 6384 C CD1 . PHE B 196 ? 0.4913 0.9200 0.5560 0.0271 -0.1406 0.0388 278 PHE B CD1 6385 C CD2 . PHE B 196 ? 0.4527 0.8811 0.5433 0.0267 -0.1366 0.0475 278 PHE B CD2 6386 C CE1 . PHE B 196 ? 0.4852 0.9196 0.5522 0.0325 -0.1304 0.0452 278 PHE B CE1 6387 C CE2 . PHE B 196 ? 0.4543 0.8872 0.5463 0.0319 -0.1268 0.0537 278 PHE B CE2 6388 C CZ . PHE B 196 ? 0.4806 0.9166 0.5611 0.0348 -0.1238 0.0527 278 PHE B CZ 6389 N N . ASN B 197 ? 0.5060 0.8933 0.5663 0.0112 -0.1607 0.0071 279 ASN B N 6390 C CA . ASN B 197 ? 0.5586 0.9371 0.6173 0.0048 -0.1720 0.0017 279 ASN B CA 6391 C C . ASN B 197 ? 0.5728 0.9417 0.6429 0.0057 -0.1635 -0.0018 279 ASN B C 6392 O O . ASN B 197 ? 0.7435 1.1046 0.8112 0.0102 -0.1508 -0.0083 279 ASN B O 6393 C CB . ASN B 197 ? 0.6445 1.0151 0.6841 0.0024 -0.1781 -0.0073 279 ASN B CB 6394 C CG . ASN B 197 ? 0.6796 1.0398 0.7151 -0.0050 -0.1918 -0.0124 279 ASN B CG 6395 O OD1 . ASN B 197 ? 0.7337 1.0958 0.7798 -0.0089 -0.2002 -0.0083 279 ASN B OD1 6396 N ND2 . ASN B 197 ? 0.6467 0.9959 0.6667 -0.0068 -0.1940 -0.0217 279 ASN B ND2 6397 N N . PRO B 198 ? 0.4698 0.8396 0.5517 0.0019 -0.1704 0.0022 280 PRO B N 6398 C CA . PRO B 198 ? 0.5007 0.8619 0.5937 0.0023 -0.1633 0.0002 280 PRO B CA 6399 C C . PRO B 198 ? 0.5570 0.9038 0.6435 0.0001 -0.1637 -0.0096 280 PRO B C 6400 O O . PRO B 198 ? 0.7275 1.0660 0.8210 0.0011 -0.1563 -0.0119 280 PRO B O 6401 C CB . PRO B 198 ? 0.4868 0.8550 0.5918 -0.0022 -0.1742 0.0065 280 PRO B CB 6402 C CG . PRO B 198 ? 0.4261 0.8094 0.5300 -0.0023 -0.1809 0.0142 280 PRO B CG 6403 C CD . PRO B 198 ? 0.3846 0.7661 0.4711 -0.0022 -0.1839 0.0098 280 PRO B CD 6404 N N . LEU B 199 ? 0.4946 0.8380 0.5667 -0.0030 -0.1722 -0.0151 281 LEU B N 6405 C CA . LEU B 199 ? 0.5682 0.8980 0.6328 -0.0056 -0.1733 -0.0243 281 LEU B CA 6406 C C . LEU B 199 ? 0.5544 0.8789 0.6147 0.0016 -0.1562 -0.0317 281 LEU B C 6407 O O . LEU B 199 ? 0.5144 0.8283 0.5710 0.0013 -0.1535 -0.0398 281 LEU B O 6408 C CB . LEU B 199 ? 0.6244 0.9507 0.6728 -0.0119 -0.1894 -0.0280 281 LEU B CB 6409 C CG . LEU B 199 ? 0.7371 1.0549 0.7861 -0.0201 -0.2051 -0.0293 281 LEU B CG 6410 C CD1 . LEU B 199 ? 0.7832 1.1095 0.8497 -0.0212 -0.2102 -0.0216 281 LEU B CD1 6411 C CD2 . LEU B 199 ? 0.8501 1.1630 0.8795 -0.0261 -0.2220 -0.0331 281 LEU B CD2 6412 N N . TRP B 200 ? 0.4923 0.8242 0.5532 0.0085 -0.1447 -0.0295 282 TRP B N 6413 C CA . TRP B 200 ? 0.5567 0.8842 0.6136 0.0165 -0.1284 -0.0372 282 TRP B CA 6414 C C . TRP B 200 ? 0.5304 0.8509 0.5975 0.0202 -0.1163 -0.0373 282 TRP B C 6415 O O . TRP B 200 ? 0.3954 0.7058 0.4603 0.0242 -0.1069 -0.0461 282 TRP B O 6416 C CB . TRP B 200 ? 0.5449 0.8821 0.5964 0.0220 -0.1219 -0.0349 282 TRP B CB 6417 C CG . TRP B 200 ? 0.6175 0.9596 0.6553 0.0194 -0.1319 -0.0364 282 TRP B CG 6418 C CD1 . TRP B 200 ? 0.7100 1.0608 0.7440 0.0146 -0.1449 -0.0288 282 TRP B CD1 6419 C CD2 . TRP B 200 ? 0.6253 0.9628 0.6499 0.0215 -0.1303 -0.0467 282 TRP B CD2 6420 N NE1 . TRP B 200 ? 0.7950 1.1455 0.8120 0.0130 -0.1518 -0.0335 282 TRP B NE1 6421 C CE2 . TRP B 200 ? 0.6905 1.0330 0.7015 0.0170 -0.1430 -0.0444 282 TRP B CE2 6422 C CE3 . TRP B 200 ? 0.5832 0.9123 0.6057 0.0270 -0.1196 -0.0580 282 TRP B CE3 6423 C CZ2 . TRP B 200 ? 0.6031 0.9418 0.5972 0.0173 -0.1451 -0.0529 282 TRP B CZ2 6424 C CZ3 . TRP B 200 ? 0.5305 0.8576 0.5393 0.0281 -0.1214 -0.0664 282 TRP B CZ3 6425 C CH2 . TRP B 200 ? 0.5424 0.8738 0.5362 0.0230 -0.1341 -0.0637 282 TRP B CH2 6426 N N . TYR B 201 ? 0.5021 0.8275 0.5795 0.0190 -0.1171 -0.0278 283 TYR B N 6427 C CA . TYR B 201 ? 0.5014 0.8199 0.5863 0.0221 -0.1063 -0.0267 283 TYR B CA 6428 C C . TYR B 201 ? 0.5481 0.8577 0.6398 0.0177 -0.1105 -0.0281 283 TYR B C 6429 O O . TYR B 201 ? 0.6034 0.9173 0.7035 0.0117 -0.1218 -0.0218 283 TYR B O 6430 C CB . TYR B 201 ? 0.5340 0.8613 0.6267 0.0228 -0.1055 -0.0160 283 TYR B CB 6431 C CG . TYR B 201 ? 0.5549 0.8914 0.6416 0.0269 -0.1016 -0.0129 283 TYR B CG 6432 C CD1 . TYR B 201 ? 0.5704 0.9189 0.6546 0.0241 -0.1124 -0.0087 283 TYR B CD1 6433 C CD2 . TYR B 201 ? 0.5256 0.8579 0.6082 0.0332 -0.0880 -0.0141 283 TYR B CD2 6434 C CE1 . TYR B 201 ? 0.5597 0.9170 0.6385 0.0278 -0.1090 -0.0053 283 TYR B CE1 6435 C CE2 . TYR B 201 ? 0.5195 0.8604 0.5970 0.0368 -0.0847 -0.0106 283 TYR B CE2 6436 C CZ . TYR B 201 ? 0.4935 0.8475 0.5697 0.0342 -0.0948 -0.0060 283 TYR B CZ 6437 O OH . TYR B 201 ? 0.3879 0.7509 0.4591 0.0377 -0.0916 -0.0020 283 TYR B OH 6438 N N . LYS B 202 ? 0.5032 0.8004 0.5913 0.0209 -0.1014 -0.0367 284 LYS B N 6439 C CA . LYS B 202 ? 0.4697 0.7578 0.5639 0.0173 -0.1037 -0.0380 284 LYS B CA 6440 C C . LYS B 202 ? 0.4525 0.7338 0.5516 0.0202 -0.0938 -0.0356 284 LYS B C 6441 O O . LYS B 202 ? 0.3840 0.6673 0.4817 0.0243 -0.0864 -0.0326 284 LYS B O 6442 C CB . LYS B 202 ? 0.4413 0.7192 0.5282 0.0188 -0.1012 -0.0495 284 LYS B CB 6443 C CG . LYS B 202 ? 0.5832 0.8653 0.6640 0.0145 -0.1128 -0.0522 284 LYS B CG 6444 C CD . LYS B 202 ? 0.8303 1.1159 0.9171 0.0045 -0.1297 -0.0444 284 LYS B CD 6445 C CE . LYS B 202 ? 1.0100 1.2958 1.0867 -0.0012 -0.1431 -0.0475 284 LYS B CE 6446 N NZ . LYS B 202 ? 1.0710 1.3462 1.1402 0.0002 -0.1396 -0.0585 284 LYS B NZ 6447 N N . GLY B 203 ? 0.4803 0.7529 0.5843 0.0177 -0.0944 -0.0368 285 GLY B N 6448 C CA . GLY B 203 ? 0.4239 0.6886 0.5313 0.0197 -0.0863 -0.0349 285 GLY B CA 6449 C C . GLY B 203 ? 0.4125 0.6862 0.5310 0.0172 -0.0905 -0.0236 285 GLY B C 6450 O O . GLY B 203 ? 0.5114 0.7966 0.6374 0.0129 -0.1016 -0.0174 285 GLY B O 6451 N N . GLN B 204 ? 0.4146 0.6825 0.5336 0.0202 -0.0819 -0.0216 286 GLN B N 6452 C CA . GLN B 204 ? 0.3930 0.6687 0.5228 0.0191 -0.0844 -0.0119 286 GLN B CA 6453 C C . GLN B 204 ? 0.3205 0.5915 0.4451 0.0240 -0.0741 -0.0107 286 GLN B C 6454 O O . GLN B 204 ? 0.3582 0.6162 0.4786 0.0256 -0.0668 -0.0138 286 GLN B O 6455 C CB . GLN B 204 ? 0.2904 0.5633 0.4310 0.0152 -0.0885 -0.0091 286 GLN B CB 6456 C CG . GLN B 204 ? 0.2915 0.5719 0.4433 0.0152 -0.0895 -0.0009 286 GLN B CG 6457 C CD . GLN B 204 ? 0.4952 0.7746 0.6580 0.0116 -0.0941 0.0011 286 GLN B CD 6458 O OE1 . GLN B 204 ? 0.6766 0.9589 0.8445 0.0072 -0.1032 0.0002 286 GLN B OE1 6459 N NE2 . GLN B 204 ? 0.4757 0.7511 0.6421 0.0134 -0.0882 0.0035 286 GLN B NE2 6460 N N . PRO B 205 ? 0.3250 0.6062 0.4493 0.0259 -0.0743 -0.0058 287 PRO B N 6461 C CA . PRO B 205 ? 0.4137 0.6913 0.5335 0.0300 -0.0659 -0.0033 287 PRO B CA 6462 C C . PRO B 205 ? 0.4648 0.7418 0.5945 0.0294 -0.0654 0.0031 287 PRO B C 6463 O O . PRO B 205 ? 0.4328 0.7162 0.5739 0.0261 -0.0720 0.0067 287 PRO B O 6464 C CB . PRO B 205 ? 0.4939 0.7858 0.6136 0.0314 -0.0687 0.0017 287 PRO B CB 6465 C CG . PRO B 205 ? 0.5514 0.8560 0.6793 0.0271 -0.0802 0.0045 287 PRO B CG 6466 C CD . PRO B 205 ? 0.4956 0.7917 0.6224 0.0242 -0.0829 -0.0026 287 PRO B CD 6467 N N . ILE B 206 ? 0.4625 0.7319 0.5876 0.0324 -0.0579 0.0042 288 ILE B N 6468 C CA . ILE B 206 ? 0.4507 0.7172 0.5834 0.0323 -0.0562 0.0089 288 ILE B CA 6469 C C . ILE B 206 ? 0.3930 0.6764 0.5397 0.0314 -0.0620 0.0183 288 ILE B C 6470 O O . ILE B 206 ? 0.2239 0.5089 0.3799 0.0300 -0.0638 0.0211 288 ILE B O 6471 C CB . ILE B 206 ? 0.4448 0.6994 0.5690 0.0355 -0.0480 0.0082 288 ILE B CB 6472 C CG1 . ILE B 206 ? 0.5295 0.7799 0.6612 0.0352 -0.0465 0.0120 288 ILE B CG1 6473 C CG2 . ILE B 206 ? 0.3751 0.6380 0.4966 0.0383 -0.0466 0.0128 288 ILE B CG2 6474 C CD1 . ILE B 206 ? 0.5340 0.7691 0.6622 0.0335 -0.0441 0.0060 288 ILE B CD1 6475 N N . TRP B 207 ? 0.4501 0.7467 0.5978 0.0324 -0.0649 0.0230 289 TRP B N 6476 C CA . TRP B 207 ? 0.4446 0.7582 0.6045 0.0318 -0.0704 0.0323 289 TRP B CA 6477 C C . TRP B 207 ? 0.4608 0.7841 0.6302 0.0274 -0.0797 0.0330 289 TRP B C 6478 O O . TRP B 207 ? 0.4747 0.8094 0.6553 0.0263 -0.0835 0.0397 289 TRP B O 6479 C CB . TRP B 207 ? 0.3067 0.6319 0.4648 0.0338 -0.0713 0.0376 289 TRP B CB 6480 C CG . TRP B 207 ? 0.4175 0.7454 0.5681 0.0329 -0.0749 0.0332 289 TRP B CG 6481 C CD1 . TRP B 207 ? 0.4267 0.7646 0.5812 0.0292 -0.0845 0.0330 289 TRP B CD1 6482 C CD2 . TRP B 207 ? 0.4636 0.7845 0.6012 0.0356 -0.0693 0.0282 289 TRP B CD2 6483 N NE1 . TRP B 207 ? 0.4327 0.7700 0.5773 0.0295 -0.0852 0.0280 289 TRP B NE1 6484 C CE2 . TRP B 207 ? 0.4347 0.7622 0.5689 0.0337 -0.0754 0.0250 289 TRP B CE2 6485 C CE3 . TRP B 207 ? 0.3378 0.6474 0.4659 0.0392 -0.0600 0.0260 289 TRP B CE3 6486 C CZ2 . TRP B 207 ? 0.3623 0.6867 0.4843 0.0359 -0.0718 0.0195 289 TRP B CZ2 6487 C CZ3 . TRP B 207 ? 0.1643 0.4708 0.2802 0.0412 -0.0566 0.0208 289 TRP B CZ3 6488 C CH2 . TRP B 207 ? 0.2492 0.5636 0.3623 0.0398 -0.0620 0.0174 289 TRP B CH2 6489 N N . VAL B 208 ? 0.3341 0.6531 0.4990 0.0249 -0.0835 0.0263 290 VAL B N 6490 C CA . VAL B 208 ? 0.3366 0.6619 0.5095 0.0202 -0.0929 0.0260 290 VAL B CA 6491 C C . VAL B 208 ? 0.3518 0.6689 0.5300 0.0191 -0.0906 0.0243 290 VAL B C 6492 O O . VAL B 208 ? 0.3215 0.6479 0.5104 0.0163 -0.0963 0.0280 290 VAL B O 6493 C CB . VAL B 208 ? 0.3737 0.6952 0.5397 0.0178 -0.0978 0.0191 290 VAL B CB 6494 C CG1 . VAL B 208 ? 0.4744 0.7990 0.6482 0.0125 -0.1076 0.0179 290 VAL B CG1 6495 C CG2 . VAL B 208 ? 0.3323 0.6644 0.4937 0.0183 -0.1017 0.0212 290 VAL B CG2 6496 N N . THR B 209 ? 0.4029 0.7030 0.5732 0.0211 -0.0824 0.0188 291 THR B N 6497 C CA . THR B 209 ? 0.4451 0.7359 0.6190 0.0202 -0.0796 0.0171 291 THR B CA 6498 C C . THR B 209 ? 0.5002 0.7989 0.6830 0.0216 -0.0779 0.0241 291 THR B C 6499 O O . THR B 209 ? 0.5080 0.8108 0.6996 0.0196 -0.0806 0.0260 291 THR B O 6500 C CB . THR B 209 ? 0.4081 0.6792 0.5699 0.0223 -0.0708 0.0106 291 THR B CB 6501 O OG1 . THR B 209 ? 0.2324 0.4974 0.3853 0.0214 -0.0715 0.0041 291 THR B OG1 6502 C CG2 . THR B 209 ? 0.4905 0.7521 0.6559 0.0212 -0.0685 0.0093 291 THR B CG2 6503 N N . ALA B 210 ? 0.5267 0.8279 0.7069 0.0251 -0.0734 0.0283 292 ALA B N 6504 C CA . ALA B 210 ? 0.4846 0.7935 0.6727 0.0269 -0.0714 0.0357 292 ALA B CA 6505 C C . ALA B 210 ? 0.5814 0.9107 0.7822 0.0245 -0.0792 0.0432 292 ALA B C 6506 O O . ALA B 210 ? 0.6211 0.9575 0.8311 0.0243 -0.0793 0.0484 292 ALA B O 6507 C CB . ALA B 210 ? 0.3337 0.6413 0.5166 0.0309 -0.0659 0.0389 292 ALA B CB 6508 N N . ASN B 211 ? 0.5539 0.8929 0.7547 0.0226 -0.0859 0.0440 293 ASN B N 6509 C CA . ASN B 211 ? 0.4298 0.7885 0.6416 0.0197 -0.0946 0.0513 293 ASN B CA 6510 C C . ASN B 211 ? 0.4254 0.7872 0.6448 0.0154 -0.0999 0.0501 293 ASN B C 6511 O O . ASN B 211 ? 0.4804 0.8567 0.7108 0.0136 -0.1037 0.0574 293 ASN B O 6512 C CB . ASN B 211 ? 0.3415 0.7083 0.5499 0.0183 -0.1014 0.0516 293 ASN B CB 6513 C CG . ASN B 211 ? 0.4153 0.8026 0.6344 0.0148 -0.1112 0.0596 293 ASN B CG 6514 O OD1 . ASN B 211 ? 0.4405 0.8323 0.6630 0.0101 -0.1194 0.0576 293 ASN B OD1 6515 N ND2 . ASN B 211 ? 0.4610 0.8607 0.6857 0.0169 -0.1108 0.0689 293 ASN B ND2 6516 N N . HIS B 212 ? 0.3923 0.7408 0.6059 0.0136 -0.1001 0.0412 294 HIS B N 6517 C CA . HIS B 212 ? 0.3953 0.7452 0.6153 0.0094 -0.1050 0.0393 294 HIS B CA 6518 C C . HIS B 212 ? 0.4587 0.8062 0.6839 0.0106 -0.0992 0.0417 294 HIS B C 6519 O O . HIS B 212 ? 0.4479 0.8026 0.6813 0.0073 -0.1029 0.0437 294 HIS B O 6520 C CB . HIS B 212 ? 0.3982 0.7331 0.6108 0.0077 -0.1065 0.0295 294 HIS B CB 6521 C CG . HIS B 212 ? 0.4835 0.8216 0.6917 0.0057 -0.1139 0.0270 294 HIS B CG 6522 N ND1 . HIS B 212 ? 0.5332 0.8600 0.7356 0.0036 -0.1172 0.0193 294 HIS B ND1 6523 C CD2 . HIS B 212 ? 0.4866 0.8378 0.6950 0.0054 -0.1191 0.0316 294 HIS B CD2 6524 C CE1 . HIS B 212 ? 0.5689 0.9016 0.7676 0.0021 -0.1241 0.0187 294 HIS B CE1 6525 N NE2 . HIS B 212 ? 0.5426 0.8901 0.7446 0.0031 -0.1255 0.0260 294 HIS B NE2 6526 N N . GLN B 213 ? 0.4861 0.8239 0.7062 0.0151 -0.0902 0.0414 295 GLN B N 6527 C CA . GLN B 213 ? 0.4165 0.7508 0.6402 0.0165 -0.0846 0.0433 295 GLN B CA 6528 C C . GLN B 213 ? 0.3805 0.7254 0.6100 0.0196 -0.0816 0.0524 295 GLN B C 6529 O O . GLN B 213 ? 0.3790 0.7174 0.6080 0.0224 -0.0751 0.0531 295 GLN B O 6530 C CB . GLN B 213 ? 0.3827 0.6950 0.5959 0.0186 -0.0773 0.0351 295 GLN B CB 6531 C CG . GLN B 213 ? 0.5291 0.8302 0.7383 0.0157 -0.0799 0.0270 295 GLN B CG 6532 C CD . GLN B 213 ? 0.6241 0.9036 0.8216 0.0176 -0.0731 0.0199 295 GLN B CD 6533 O OE1 . GLN B 213 ? 0.7054 0.9756 0.9006 0.0194 -0.0671 0.0193 295 GLN B OE1 6534 N NE2 . GLN B 213 ? 0.5430 0.8148 0.7328 0.0169 -0.0742 0.0151 295 GLN B NE2 6535 N N . GLU B 214 ? 0.4649 0.8259 0.7000 0.0191 -0.0867 0.0593 296 GLU B N 6536 C CA . GLU B 214 ? 0.5709 0.9449 0.8143 0.0217 -0.0854 0.0694 296 GLU B CA 6537 C C . GLU B 214 ? 0.5066 0.8704 0.7436 0.0269 -0.0772 0.0694 296 GLU B C 6538 O O . GLU B 214 ? 0.4975 0.8627 0.7397 0.0294 -0.0729 0.0741 296 GLU B O 6539 C CB . GLU B 214 ? 0.6673 1.0516 0.9229 0.0203 -0.0863 0.0755 296 GLU B CB 6540 C CG . GLU B 214 ? 0.7590 1.1550 1.0220 0.0146 -0.0948 0.0768 296 GLU B CG 6541 C CD . GLU B 214 ? 0.8706 1.2763 1.1453 0.0131 -0.0949 0.0828 296 GLU B CD 6542 O OE1 . GLU B 214 ? 0.9473 1.3524 1.2253 0.0169 -0.0887 0.0865 296 GLU B OE1 6543 O OE2 . GLU B 214 ? 0.8537 1.2680 1.1345 0.0080 -0.1014 0.0838 296 GLU B OE2 6544 N N . VAL B 215 ? 0.4026 0.7564 0.6285 0.0283 -0.0752 0.0643 297 VAL B N 6545 C CA . VAL B 215 ? 0.3566 0.7015 0.5761 0.0327 -0.0681 0.0647 297 VAL B CA 6546 C C . VAL B 215 ? 0.3484 0.7002 0.5650 0.0341 -0.0700 0.0680 297 VAL B C 6547 O O . VAL B 215 ? 0.2681 0.6172 0.4775 0.0325 -0.0727 0.0630 297 VAL B O 6548 C CB . VAL B 215 ? 0.4058 0.7284 0.6126 0.0335 -0.0621 0.0548 297 VAL B CB 6549 C CG1 . VAL B 215 ? 0.3812 0.6952 0.5807 0.0374 -0.0558 0.0553 297 VAL B CG1 6550 C CG2 . VAL B 215 ? 0.3579 0.6735 0.5675 0.0327 -0.0598 0.0522 297 VAL B CG2 6551 N N . LYS B 216 ? 0.4817 0.8427 0.7043 0.0370 -0.0686 0.0767 298 LYS B N 6552 C CA . LYS B 216 ? 0.4497 0.8193 0.6710 0.0384 -0.0706 0.0814 298 LYS B CA 6553 C C . LYS B 216 ? 0.4239 0.7786 0.6313 0.0407 -0.0649 0.0755 298 LYS B C 6554 O O . LYS B 216 ? 0.2896 0.6287 0.4905 0.0424 -0.0584 0.0709 298 LYS B O 6555 C CB . LYS B 216 ? 0.2925 0.6756 0.5252 0.0411 -0.0705 0.0929 298 LYS B CB 6556 N N . SER B 217 ? 0.5125 0.8726 0.7152 0.0405 -0.0678 0.0759 299 SER B N 6557 C CA . SER B 217 ? 0.4744 0.8227 0.6640 0.0425 -0.0629 0.0708 299 SER B CA 6558 C C . SER B 217 ? 0.5512 0.9108 0.7405 0.0443 -0.0644 0.0773 299 SER B C 6559 O O . SER B 217 ? 0.6094 0.9838 0.8036 0.0423 -0.0717 0.0813 299 SER B O 6560 C CB . SER B 217 ? 0.2689 0.6074 0.4488 0.0399 -0.0640 0.0604 299 SER B CB 6561 O OG . SER B 217 ? 0.1820 0.5331 0.3664 0.0366 -0.0726 0.0610 299 SER B OG 6562 N N . GLY B 218 ? 0.4884 0.8408 0.6719 0.0477 -0.0581 0.0786 300 GLY B N 6563 C CA . GLY B 218 ? 0.4575 0.8193 0.6401 0.0497 -0.0586 0.0850 300 GLY B CA 6564 C C . GLY B 218 ? 0.4970 0.8474 0.6651 0.0510 -0.0537 0.0785 300 GLY B C 6565 O O . GLY B 218 ? 0.5113 0.8480 0.6732 0.0530 -0.0469 0.0761 300 GLY B O 6566 N N . THR B 219 ? 0.5382 0.8948 0.7008 0.0497 -0.0576 0.0759 301 THR B N 6567 C CA . THR B 219 ? 0.4727 0.8199 0.6213 0.0508 -0.0532 0.0692 301 THR B CA 6568 C C . THR B 219 ? 0.3869 0.7441 0.5334 0.0532 -0.0529 0.0758 301 THR B C 6569 O O . THR B 219 ? 0.2712 0.6442 0.4269 0.0532 -0.0580 0.0847 301 THR B O 6570 C CB . THR B 219 ? 0.4908 0.8362 0.6331 0.0480 -0.0570 0.0602 301 THR B CB 6571 O OG1 . THR B 219 ? 0.7144 1.0501 0.8428 0.0497 -0.0517 0.0532 301 THR B OG1 6572 C CG2 . THR B 219 ? 0.4086 0.7721 0.5564 0.0459 -0.0661 0.0645 301 THR B CG2 6573 N N . TYR B 220 ? 0.5810 0.9293 0.7156 0.0552 -0.0470 0.0716 302 TYR B N 6574 C CA . TYR B 220 ? 0.6196 0.9770 0.7513 0.0576 -0.0461 0.0776 302 TYR B CA 6575 C C . TYR B 220 ? 0.5827 0.9346 0.7000 0.0583 -0.0428 0.0696 302 TYR B C 6576 O O . TYR B 220 ? 0.6393 0.9767 0.7475 0.0599 -0.0359 0.0648 302 TYR B O 6577 C CB . TYR B 220 ? 0.5704 0.9244 0.7055 0.0606 -0.0406 0.0852 302 TYR B CB 6578 C CG . TYR B 220 ? 0.7475 1.1168 0.8873 0.0625 -0.0424 0.0959 302 TYR B CG 6579 C CD1 . TYR B 220 ? 0.8488 1.2340 1.0015 0.0617 -0.0491 0.1047 302 TYR B CD1 6580 C CD2 . TYR B 220 ? 0.7795 1.1477 0.9111 0.0650 -0.0378 0.0975 302 TYR B CD2 6581 C CE1 . TYR B 220 ? 0.7882 1.1874 0.9456 0.0634 -0.0514 0.1148 302 TYR B CE1 6582 C CE2 . TYR B 220 ? 0.7557 1.1382 0.8921 0.0667 -0.0396 0.1077 302 TYR B CE2 6583 C CZ . TYR B 220 ? 0.7284 1.1261 0.8777 0.0658 -0.0466 0.1163 302 TYR B CZ 6584 O OH . TYR B 220 ? 0.6502 1.0620 0.8044 0.0674 -0.0490 0.1268 302 TYR B OH 6585 N N . PHE B 221 ? 0.4713 0.8346 0.5864 0.0571 -0.0483 0.0681 303 PHE B N 6586 C CA . PHE B 221 ? 0.5767 0.9379 0.6787 0.0582 -0.0457 0.0609 303 PHE B CA 6587 C C . PHE B 221 ? 0.6102 0.9550 0.7027 0.0576 -0.0417 0.0485 303 PHE B C 6588 O O . PHE B 221 ? 0.7923 1.1282 0.8735 0.0599 -0.0353 0.0433 303 PHE B O 6589 C CB . PHE B 221 ? 0.6035 0.9653 0.6995 0.0619 -0.0394 0.0657 303 PHE B CB 6590 C CG . PHE B 221 ? 0.5540 0.9330 0.6574 0.0627 -0.0434 0.0773 303 PHE B CG 6591 C CD1 . PHE B 221 ? 0.6128 1.0068 0.7245 0.0601 -0.0531 0.0815 303 PHE B CD1 6592 C CD2 . PHE B 221 ? 0.4887 0.8687 0.5908 0.0658 -0.0381 0.0845 303 PHE B CD2 6593 C CE1 . PHE B 221 ? 0.7140 1.1235 0.8321 0.0606 -0.0575 0.0925 303 PHE B CE1 6594 C CE2 . PHE B 221 ? 0.5512 0.9469 0.6604 0.0667 -0.0418 0.0956 303 PHE B CE2 6595 C CZ . PHE B 221 ? 0.6646 1.0752 0.7817 0.0641 -0.0516 0.0996 303 PHE B CZ 6596 N N . TRP B 222 ? 0.3365 0.6778 0.4339 0.0546 -0.0458 0.0440 304 TRP B N 6597 C CA . TRP B 222 ? 0.2681 0.5950 0.3570 0.0539 -0.0429 0.0323 304 TRP B CA 6598 C C . TRP B 222 ? 0.3296 0.6634 0.4164 0.0519 -0.0488 0.0261 304 TRP B C 6599 O O . TRP B 222 ? 0.5227 0.8682 0.6185 0.0490 -0.0574 0.0302 304 TRP B O 6600 C CB . TRP B 222 ? 0.3901 0.7055 0.4848 0.0519 -0.0425 0.0307 304 TRP B CB 6601 C CG . TRP B 222 ? 0.5239 0.8219 0.6088 0.0517 -0.0381 0.0195 304 TRP B CG 6602 C CD1 . TRP B 222 ? 0.5351 0.8297 0.6177 0.0498 -0.0407 0.0110 304 TRP B CD1 6603 C CD2 . TRP B 222 ? 0.3962 0.6775 0.4726 0.0532 -0.0312 0.0160 304 TRP B CD2 6604 N NE1 . TRP B 222 ? 0.4070 0.6842 0.4798 0.0504 -0.0352 0.0022 304 TRP B NE1 6605 C CE2 . TRP B 222 ? 0.4106 0.6792 0.4792 0.0522 -0.0298 0.0050 304 TRP B CE2 6606 C CE3 . TRP B 222 ? 0.2538 0.5295 0.3286 0.0551 -0.0267 0.0211 304 TRP B CE3 6607 C CZ2 . TRP B 222 ? 0.4626 0.7133 0.5215 0.0527 -0.0247 -0.0009 304 TRP B CZ2 6608 C CZ3 . TRP B 222 ? 0.3290 0.5867 0.3947 0.0552 -0.0219 0.0155 304 TRP B CZ3 6609 C CH2 . TRP B 222 ? 0.4474 0.6929 0.5050 0.0539 -0.0212 0.0046 304 TRP B CH2 6610 N N . PRO B 223 ? 0.3647 0.6913 0.4394 0.0535 -0.0447 0.0162 305 PRO B N 6611 C CA . PRO B 223 ? 0.3998 0.7319 0.4720 0.0520 -0.0500 0.0094 305 PRO B CA 6612 C C . PRO B 223 ? 0.4037 0.7345 0.4846 0.0475 -0.0572 0.0076 305 PRO B C 6613 O O . PRO B 223 ? 0.4359 0.7532 0.5163 0.0469 -0.0540 0.0023 305 PRO B O 6614 C CB . PRO B 223 ? 0.3116 0.6313 0.3700 0.0551 -0.0422 -0.0021 305 PRO B CB 6615 C CG . PRO B 223 ? 0.3583 0.6732 0.4105 0.0584 -0.0346 0.0016 305 PRO B CG 6616 C CD . PRO B 223 ? 0.3883 0.7018 0.4509 0.0569 -0.0356 0.0112 305 PRO B CD 6617 N N . GLY B 224 ? 0.4686 0.8131 0.5569 0.0441 -0.0677 0.0124 306 GLY B N 6618 C CA . GLY B 224 ? 0.4502 0.7946 0.5468 0.0392 -0.0762 0.0118 306 GLY B CA 6619 C C . GLY B 224 ? 0.3799 0.7318 0.4898 0.0370 -0.0813 0.0219 306 GLY B C 6620 O O . GLY B 224 ? 0.3731 0.7273 0.4911 0.0327 -0.0894 0.0229 306 GLY B O 6621 N N . SER B 225 ? 0.3543 0.7099 0.4664 0.0399 -0.0766 0.0296 307 SER B N 6622 C CA . SER B 225 ? 0.3963 0.7599 0.5211 0.0387 -0.0803 0.0394 307 SER B CA 6623 C C . SER B 225 ? 0.4935 0.8754 0.6242 0.0364 -0.0909 0.0473 307 SER B C 6624 O O . SER B 225 ? 0.5423 0.9322 0.6841 0.0338 -0.0976 0.0533 307 SER B O 6625 C CB . SER B 225 ? 0.3390 0.6983 0.4639 0.0428 -0.0712 0.0446 307 SER B CB 6626 O OG . SER B 225 ? 0.4400 0.8025 0.5567 0.0460 -0.0671 0.0460 307 SER B OG 6627 N N . ASP B 226 ? 0.4841 0.8730 0.6071 0.0374 -0.0927 0.0474 308 ASP B N 6628 C CA . ASP B 226 ? 0.3197 0.7250 0.4458 0.0349 -0.1037 0.0545 308 ASP B CA 6629 C C . ASP B 226 ? 0.4221 0.8296 0.5494 0.0292 -0.1160 0.0506 308 ASP B C 6630 O O . ASP B 226 ? 0.5497 0.9686 0.6842 0.0257 -0.1265 0.0570 308 ASP B O 6631 C CB . ASP B 226 ? 0.2783 0.6894 0.3941 0.0373 -0.1027 0.0551 308 ASP B CB 6632 C CG . ASP B 226 ? 0.5017 0.9009 0.6056 0.0405 -0.0929 0.0452 308 ASP B CG 6633 O OD1 . ASP B 226 ? 0.4883 0.8903 0.5852 0.0442 -0.0872 0.0466 308 ASP B OD1 6634 O OD2 . ASP B 226 ? 0.6780 1.0655 0.7796 0.0395 -0.0907 0.0362 308 ASP B OD2 6635 N N . VAL B 227 ? 0.4500 0.8462 0.5699 0.0282 -0.1146 0.0400 309 VAL B N 6636 C CA . VAL B 227 ? 0.5135 0.9087 0.6329 0.0227 -0.1260 0.0351 309 VAL B CA 6637 C C . VAL B 227 ? 0.5427 0.9331 0.6732 0.0202 -0.1272 0.0352 309 VAL B C 6638 O O . VAL B 227 ? 0.6477 1.0293 0.7817 0.0230 -0.1170 0.0342 309 VAL B O 6639 C CB . VAL B 227 ? 0.5785 0.9631 0.6856 0.0229 -0.1237 0.0239 309 VAL B CB 6640 C CG1 . VAL B 227 ? 0.6246 1.0104 0.7277 0.0168 -0.1384 0.0202 309 VAL B CG1 6641 C CG2 . VAL B 227 ? 0.6712 1.0578 0.7677 0.0277 -0.1163 0.0227 309 VAL B CG2 6642 N N . GLU B 228 ? 0.4974 0.8935 0.6326 0.0147 -0.1402 0.0362 310 GLU B N 6643 C CA . GLU B 228 ? 0.6117 1.0050 0.7576 0.0118 -0.1425 0.0362 310 GLU B CA 6644 C C . GLU B 228 ? 0.7262 1.1054 0.8678 0.0094 -0.1433 0.0262 310 GLU B C 6645 O O . GLU B 228 ? 0.8113 1.1888 0.9453 0.0059 -0.1524 0.0212 310 GLU B O 6646 C CB . GLU B 228 ? 0.6741 1.0821 0.8282 0.0070 -0.1560 0.0430 310 GLU B CB 6647 C CG . GLU B 228 ? 0.8115 1.2330 0.9762 0.0089 -0.1541 0.0544 310 GLU B CG 6648 C CD . GLU B 228 ? 0.9789 1.4152 1.1521 0.0038 -0.1671 0.0609 310 GLU B CD 6649 O OE1 . GLU B 228 ? 1.0540 1.5001 1.2392 0.0045 -0.1655 0.0697 310 GLU B OE1 6650 O OE2 . GLU B 228 ? 1.0129 1.4509 1.1804 -0.0011 -0.1792 0.0572 310 GLU B OE2 6651 N N . ILE B 229 ? 0.6939 1.0622 0.8396 0.0112 -0.1342 0.0235 311 ILE B N 6652 C CA . ILE B 229 ? 0.6051 0.9598 0.7480 0.0090 -0.1344 0.0150 311 ILE B CA 6653 C C . ILE B 229 ? 0.5717 0.9282 0.7265 0.0050 -0.1410 0.0172 311 ILE B C 6654 O O . ILE B 229 ? 0.4379 0.7982 0.6019 0.0065 -0.1365 0.0226 311 ILE B O 6655 C CB . ILE B 229 ? 0.4958 0.8362 0.6333 0.0138 -0.1197 0.0097 311 ILE B CB 6656 C CG1 . ILE B 229 ? 0.2893 0.6302 0.4160 0.0187 -0.1117 0.0083 311 ILE B CG1 6657 C CG2 . ILE B 229 ? 0.6022 0.9293 0.7358 0.0115 -0.1200 0.0012 311 ILE B CG2 6658 N N . ASP B 230 ? 0.6592 1.0130 0.8133 -0.0002 -0.1519 0.0128 312 ASP B N 6659 C CA . ASP B 230 ? 0.7252 1.0822 0.8900 -0.0045 -0.1596 0.0141 312 ASP B CA 6660 C C . ASP B 230 ? 0.5900 0.9658 0.7644 -0.0055 -0.1645 0.0234 312 ASP B C 6661 O O . ASP B 230 ? 0.4571 0.8384 0.6424 -0.0069 -0.1648 0.0272 312 ASP B O 6662 C CB . ASP B 230 ? 0.8255 1.1711 0.9958 -0.0030 -0.1504 0.0119 312 ASP B CB 6663 C CG . ASP B 230 ? 0.9733 1.3022 1.1364 -0.0044 -0.1495 0.0036 312 ASP B CG 6664 O OD1 . ASP B 230 ? 1.0607 1.3852 1.2125 -0.0042 -0.1499 -0.0006 312 ASP B OD1 6665 O OD2 . ASP B 230 ? 0.9688 1.2896 1.1373 -0.0057 -0.1481 0.0017 312 ASP B OD2 6666 N N . GLY B 231 ? 0.5681 0.9541 0.7379 -0.0048 -0.1682 0.0277 313 GLY B N 6667 C CA . GLY B 231 ? 0.6195 1.0239 0.7976 -0.0059 -0.1731 0.0376 313 GLY B CA 6668 C C . GLY B 231 ? 0.6102 1.0182 0.7970 -0.0013 -0.1617 0.0448 313 GLY B C 6669 O O . GLY B 231 ? 0.6297 1.0519 0.8267 -0.0024 -0.1645 0.0537 313 GLY B O 6670 N N . ILE B 232 ? 0.6123 1.0073 0.7945 0.0036 -0.1491 0.0411 314 ILE B N 6671 C CA . ILE B 232 ? 0.5858 0.9811 0.7741 0.0080 -0.1383 0.0467 314 ILE B CA 6672 C C . ILE B 232 ? 0.4369 0.8310 0.6180 0.0131 -0.1303 0.0486 314 ILE B C 6673 O O . ILE B 232 ? 0.3912 0.7757 0.5612 0.0148 -0.1266 0.0421 314 ILE B O 6674 C CB . ILE B 232 ? 0.6318 1.0121 0.8213 0.0092 -0.1300 0.0412 314 ILE B CB 6675 C CG1 . ILE B 232 ? 0.6419 1.0233 0.8384 0.0041 -0.1378 0.0391 314 ILE B CG1 6676 C CG2 . ILE B 232 ? 0.6106 0.9906 0.8052 0.0134 -0.1201 0.0468 314 ILE B CG2 6677 C CD1 . ILE B 232 ? 0.6478 1.0467 0.8569 0.0014 -0.1436 0.0483 314 ILE B CD1 6678 N N . LEU B 233 ? 0.3717 0.7759 0.5595 0.0156 -0.1275 0.0579 315 LEU B N 6679 C CA . LEU B 233 ? 0.3737 0.7772 0.5561 0.0206 -0.1196 0.0609 315 LEU B CA 6680 C C . LEU B 233 ? 0.4366 0.8364 0.6248 0.0243 -0.1100 0.0654 315 LEU B C 6681 O O . LEU B 233 ? 0.5712 0.9770 0.7702 0.0230 -0.1119 0.0703 315 LEU B O 6682 C CB . LEU B 233 ? 0.4484 0.8688 0.6325 0.0199 -0.1273 0.0691 315 LEU B CB 6683 C CG . LEU B 233 ? 0.5035 0.9241 0.6770 0.0229 -0.1244 0.0689 315 LEU B CG 6684 C CD1 . LEU B 233 ? 0.5283 0.9353 0.6890 0.0230 -0.1217 0.0576 315 LEU B CD1 6685 C CD2 . LEU B 233 ? 0.4809 0.9181 0.6554 0.0204 -0.1358 0.0757 315 LEU B CD2 6686 N N . PRO B 234 ? 0.4521 0.8417 0.6325 0.0289 -0.0999 0.0636 316 PRO B N 6687 C CA . PRO B 234 ? 0.5557 0.9410 0.7403 0.0325 -0.0916 0.0680 316 PRO B CA 6688 C C . PRO B 234 ? 0.5845 0.9866 0.7807 0.0331 -0.0952 0.0800 316 PRO B C 6689 O O . PRO B 234 ? 0.5481 0.9628 0.7450 0.0325 -0.1009 0.0852 316 PRO B O 6690 C CB . PRO B 234 ? 0.5065 0.8807 0.6793 0.0365 -0.0827 0.0647 316 PRO B CB 6691 C CG . PRO B 234 ? 0.5113 0.8899 0.6760 0.0356 -0.0869 0.0615 316 PRO B CG 6692 C CD . PRO B 234 ? 0.5180 0.8995 0.6851 0.0308 -0.0960 0.0572 316 PRO B CD 6693 N N . ASP B 235 ? 0.5981 1.0005 0.8034 0.0342 -0.0920 0.0845 317 ASP B N 6694 C CA . ASP B 235 ? 0.5741 0.9927 0.7923 0.0347 -0.0954 0.0963 317 ASP B CA 6695 C C . ASP B 235 ? 0.5112 0.9367 0.7287 0.0381 -0.0939 0.1036 317 ASP B C 6696 O O . ASP B 235 ? 0.5330 0.9750 0.7596 0.0376 -0.1000 0.1131 317 ASP B O 6697 C CB . ASP B 235 ? 0.6019 1.0168 0.8282 0.0363 -0.0902 0.0988 317 ASP B CB 6698 C CG . ASP B 235 ? 0.7200 1.1290 0.9477 0.0330 -0.0916 0.0923 317 ASP B CG 6699 O OD1 . ASP B 235 ? 0.7080 1.1068 0.9264 0.0310 -0.0922 0.0829 317 ASP B OD1 6700 O OD2 . ASP B 235 ? 0.8212 1.2359 1.0595 0.0324 -0.0921 0.0968 317 ASP B OD2 6701 N N . ILE B 236 ? 0.4924 0.9055 0.6994 0.0414 -0.0860 0.0996 318 ILE B N 6702 C CA . ILE B 236 ? 0.5661 0.9846 0.7706 0.0444 -0.0845 0.1056 318 ILE B CA 6703 C C . ILE B 236 ? 0.7224 1.1310 0.9117 0.0449 -0.0813 0.0974 318 ILE B C 6704 O O . ILE B 236 ? 0.8141 1.2064 0.9949 0.0465 -0.0736 0.0900 318 ILE B O 6705 C CB . ILE B 236 ? 0.4336 0.8480 0.6424 0.0488 -0.0768 0.1116 318 ILE B CB 6706 C CG1 . ILE B 236 ? 0.3049 0.7304 0.5295 0.0488 -0.0797 0.1203 318 ILE B CG1 6707 C CG2 . ILE B 236 ? 0.3568 0.7760 0.5625 0.0518 -0.0750 0.1176 318 ILE B CG2 6708 C CD1 . ILE B 236 ? 0.3569 0.7791 0.5871 0.0533 -0.0729 0.1265 318 ILE B CD1 6709 N N . TYR B 237 ? 0.7414 1.1603 0.9273 0.0436 -0.0875 0.0987 319 TYR B N 6710 C CA . TYR B 237 ? 0.6964 1.1080 0.8682 0.0442 -0.0849 0.0911 319 TYR B CA 6711 C C . TYR B 237 ? 0.6690 1.0916 0.8383 0.0460 -0.0864 0.0979 319 TYR B C 6712 O O . TYR B 237 ? 0.7018 1.1382 0.8805 0.0462 -0.0912 0.1083 319 TYR B O 6713 C CB . TYR B 237 ? 0.6657 1.0763 0.8329 0.0400 -0.0916 0.0826 319 TYR B CB 6714 C CG . TYR B 237 ? 0.6802 1.1075 0.8510 0.0365 -0.1038 0.0873 319 TYR B CG 6715 C CD1 . TYR B 237 ? 0.7191 1.1585 0.9024 0.0337 -0.1117 0.0944 319 TYR B CD1 6716 C CD2 . TYR B 237 ? 0.7056 1.1365 0.8665 0.0358 -0.1078 0.0844 319 TYR B CD2 6717 C CE1 . TYR B 237 ? 0.8415 1.2957 1.0270 0.0300 -0.1238 0.0987 319 TYR B CE1 6718 C CE2 . TYR B 237 ? 0.7611 1.2060 0.9235 0.0322 -0.1201 0.0884 319 TYR B CE2 6719 C CZ . TYR B 237 ? 0.8945 1.3507 1.0689 0.0291 -0.1283 0.0955 319 TYR B CZ 6720 O OH . TYR B 237 ? 1.0287 1.4984 1.2035 0.0250 -0.1414 0.0996 319 TYR B OH 6721 N N . LYS B 238 ? 0.5531 0.9697 0.7098 0.0475 -0.0824 0.0922 320 LYS B N 6722 C CA . LYS B 238 ? 0.5274 0.9541 0.6803 0.0492 -0.0836 0.0978 320 LYS B CA 6723 C C . LYS B 238 ? 0.5559 0.9806 0.6956 0.0484 -0.0848 0.0893 320 LYS B C 6724 O O . LYS B 238 ? 0.5627 0.9739 0.6929 0.0499 -0.0772 0.0804 320 LYS B O 6725 C CB . LYS B 238 ? 0.2161 0.6374 0.3681 0.0538 -0.0739 0.1028 320 LYS B CB 6726 N N . VAL B 239 ? 0.5447 0.9826 0.6834 0.0458 -0.0948 0.0920 321 VAL B N 6727 C CA . VAL B 239 ? 0.4409 0.8786 0.5669 0.0451 -0.0971 0.0846 321 VAL B CA 6728 C C . VAL B 239 ? 0.4390 0.8730 0.5564 0.0499 -0.0868 0.0845 321 VAL B C 6729 O O . VAL B 239 ? 0.5150 0.9550 0.6364 0.0525 -0.0840 0.0939 321 VAL B O 6730 C CB . VAL B 239 ? 0.3968 0.8495 0.5220 0.0414 -0.1108 0.0891 321 VAL B CB 6731 C CG1 . VAL B 239 ? 0.3643 0.8156 0.4749 0.0407 -0.1133 0.0810 321 VAL B CG1 6732 C CG2 . VAL B 239 ? 0.4220 0.8787 0.5559 0.0364 -0.1214 0.0899 321 VAL B CG2 6733 N N . TYR B 240 ? 0.3193 0.7435 0.4252 0.0511 -0.0813 0.0740 322 TYR B N 6734 C CA . TYR B 240 ? 0.2868 0.7051 0.3842 0.0557 -0.0702 0.0725 322 TYR B CA 6735 C C . TYR B 240 ? 0.3240 0.7553 0.4188 0.0578 -0.0712 0.0807 322 TYR B C 6736 O O . TYR B 240 ? 0.3821 0.8240 0.4724 0.0560 -0.0794 0.0809 322 TYR B O 6737 C CB . TYR B 240 ? 0.3256 0.7329 0.4110 0.0566 -0.0650 0.0594 322 TYR B CB 6738 C CG . TYR B 240 ? 0.3706 0.7710 0.4468 0.0613 -0.0535 0.0575 322 TYR B CG 6739 C CD1 . TYR B 240 ? 0.4681 0.8549 0.5447 0.0633 -0.0450 0.0580 322 TYR B CD1 6740 C CD2 . TYR B 240 ? 0.3272 0.7345 0.3939 0.0636 -0.0520 0.0556 322 TYR B CD2 6741 C CE1 . TYR B 240 ? 0.4627 0.8422 0.5301 0.0669 -0.0358 0.0568 322 TYR B CE1 6742 C CE2 . TYR B 240 ? 0.3846 0.7860 0.4429 0.0679 -0.0417 0.0544 322 TYR B CE2 6743 C CZ . TYR B 240 ? 0.4051 0.7922 0.4635 0.0693 -0.0339 0.0551 322 TYR B CZ 6744 O OH . TYR B 240 ? 0.3662 0.7463 0.4154 0.0728 -0.0251 0.0543 322 TYR B OH 6745 N N . ASN B 241 ? 0.3340 0.7635 0.4309 0.0613 -0.0634 0.0876 323 ASN B N 6746 C CA . ASN B 241 ? 0.4037 0.8441 0.4987 0.0638 -0.0626 0.0960 323 ASN B CA 6747 C C . ASN B 241 ? 0.3815 0.8116 0.4712 0.0680 -0.0501 0.0958 323 ASN B C 6748 O O . ASN B 241 ? 0.4509 0.8751 0.5473 0.0693 -0.0456 0.1017 323 ASN B O 6749 C CB . ASN B 241 ? 0.5460 0.9987 0.6534 0.0628 -0.0695 0.1092 323 ASN B CB 6750 C CG . ASN B 241 ? 0.6728 1.1385 0.7784 0.0647 -0.0710 0.1186 323 ASN B CG 6751 O OD1 . ASN B 241 ? 0.6240 1.0900 0.7191 0.0668 -0.0666 0.1153 323 ASN B OD1 6752 N ND2 . ASN B 241 ? 0.8821 1.3589 0.9982 0.0640 -0.0773 0.1304 323 ASN B ND2 6753 N N . GLY B 242 ? 0.3443 0.7721 0.4218 0.0701 -0.0451 0.0889 324 GLY B N 6754 C CA . GLY B 242 ? 0.4225 0.8395 0.4929 0.0737 -0.0339 0.0877 324 GLY B CA 6755 C C . GLY B 242 ? 0.4378 0.8616 0.5122 0.0763 -0.0308 0.1001 324 GLY B C 6756 O O . GLY B 242 ? 0.4001 0.8143 0.4700 0.0788 -0.0222 0.1012 324 GLY B O 6757 N N . SER B 243 ? 0.4657 0.9055 0.5481 0.0753 -0.0385 0.1098 325 SER B N 6758 C CA . SER B 243 ? 0.4822 0.9301 0.5695 0.0775 -0.0367 0.1224 325 SER B CA 6759 C C . SER B 243 ? 0.5053 0.9468 0.6044 0.0778 -0.0346 0.1302 325 SER B C 6760 O O . SER B 243 ? 0.5793 1.0226 0.6827 0.0801 -0.0308 0.1398 325 SER B O 6761 C CB . SER B 243 ? 0.5234 0.9905 0.6135 0.0762 -0.0469 0.1298 325 SER B CB 6762 O OG . SER B 243 ? 0.5218 0.9944 0.6004 0.0757 -0.0498 0.1223 325 SER B OG 6763 N N . VAL B 244 ? 0.3833 0.8175 0.4880 0.0755 -0.0373 0.1262 326 VAL B N 6764 C CA . VAL B 244 ? 0.3852 0.8134 0.5013 0.0758 -0.0358 0.1325 326 VAL B CA 6765 C C . VAL B 244 ? 0.4150 0.8267 0.5267 0.0781 -0.0256 0.1313 326 VAL B C 6766 O O . VAL B 244 ? 0.4774 0.8750 0.5790 0.0779 -0.0211 0.1210 326 VAL B O 6767 C CB . VAL B 244 ? 0.3806 0.8041 0.5026 0.0729 -0.0404 0.1273 326 VAL B CB 6768 C CG1 . VAL B 244 ? 0.2101 0.6270 0.3434 0.0736 -0.0380 0.1333 326 VAL B CG1 6769 C CG2 . VAL B 244 ? 0.4397 0.8792 0.5669 0.0700 -0.0517 0.1295 326 VAL B CG2 6770 N N . PRO B 245 ? 0.4484 0.8612 0.5674 0.0802 -0.0227 0.1420 327 PRO B N 6771 C CA . PRO B 245 ? 0.5202 0.9172 0.6359 0.0821 -0.0141 0.1422 327 PRO B CA 6772 C C . PRO B 245 ? 0.5874 0.9670 0.7037 0.0806 -0.0123 0.1350 327 PRO B C 6773 O O . PRO B 245 ? 0.6638 1.0458 0.7891 0.0791 -0.0170 0.1352 327 PRO B O 6774 C CB . PRO B 245 ? 0.5194 0.9240 0.6473 0.0841 -0.0137 0.1561 327 PRO B CB 6775 C CG . PRO B 245 ? 0.4743 0.8947 0.6137 0.0829 -0.0225 0.1620 327 PRO B CG 6776 C CD . PRO B 245 ? 0.4686 0.8974 0.6002 0.0808 -0.0281 0.1547 327 PRO B CD 6777 N N . PHE B 246 ? 0.5482 0.9109 0.6551 0.0809 -0.0061 0.1290 328 PHE B N 6778 C CA . PHE B 246 ? 0.4745 0.8196 0.5800 0.0792 -0.0048 0.1211 328 PHE B CA 6779 C C . PHE B 246 ? 0.3854 0.7275 0.5045 0.0793 -0.0053 0.1274 328 PHE B C 6780 O O . PHE B 246 ? 0.3789 0.7160 0.5020 0.0775 -0.0078 0.1228 328 PHE B O 6781 C CB . PHE B 246 ? 0.4028 0.7307 0.4966 0.0794 0.0012 0.1153 328 PHE B CB 6782 C CG . PHE B 246 ? 0.3122 0.6406 0.3918 0.0795 0.0021 0.1072 328 PHE B CG 6783 C CD1 . PHE B 246 ? 0.2915 0.6303 0.3686 0.0786 -0.0024 0.1016 328 PHE B CD1 6784 C CD2 . PHE B 246 ? 0.3047 0.6232 0.3738 0.0806 0.0072 0.1052 328 PHE B CD2 6785 C CE1 . PHE B 246 ? 0.3038 0.6433 0.3681 0.0790 -0.0013 0.0937 328 PHE B CE1 6786 C CE2 . PHE B 246 ? 0.2923 0.6117 0.3483 0.0811 0.0081 0.0977 328 PHE B CE2 6787 C CZ . PHE B 246 ? 0.3163 0.6464 0.3698 0.0805 0.0041 0.0916 328 PHE B CZ 6788 N N . GLU B 247 ? 0.3557 0.7010 0.4821 0.0814 -0.0028 0.1378 329 GLU B N 6789 C CA . GLU B 247 ? 0.3682 0.7109 0.5079 0.0821 -0.0027 0.1442 329 GLU B CA 6790 C C . GLU B 247 ? 0.3652 0.7206 0.5161 0.0815 -0.0092 0.1469 329 GLU B C 6791 O O . GLU B 247 ? 0.3171 0.6681 0.4768 0.0813 -0.0099 0.1475 329 GLU B O 6792 C CB . GLU B 247 ? 0.4403 0.7871 0.5868 0.0847 0.0004 0.1558 329 GLU B CB 6793 C CG . GLU B 247 ? 0.5603 0.8898 0.7032 0.0851 0.0069 0.1550 329 GLU B CG 6794 C CD . GLU B 247 ? 0.6624 0.9906 0.7945 0.0858 0.0109 0.1554 329 GLU B CD 6795 O OE1 . GLU B 247 ? 0.6518 0.9681 0.7825 0.0861 0.0159 0.1570 329 GLU B OE1 6796 O OE2 . GLU B 247 ? 0.6624 1.0020 0.7878 0.0860 0.0091 0.1543 329 GLU B OE2 6797 N N . GLU B 248 ? 0.4602 0.8316 0.6108 0.0810 -0.0143 0.1487 330 GLU B N 6798 C CA . GLU B 248 ? 0.5455 0.9305 0.7069 0.0800 -0.0216 0.1519 330 GLU B CA 6799 C C . GLU B 248 ? 0.4757 0.8543 0.6338 0.0771 -0.0242 0.1414 330 GLU B C 6800 O O . GLU B 248 ? 0.4201 0.8043 0.5884 0.0762 -0.0287 0.1433 330 GLU B O 6801 C CB . GLU B 248 ? 0.7117 1.1158 0.8736 0.0799 -0.0272 0.1573 330 GLU B CB 6802 C CG . GLU B 248 ? 0.7434 1.1631 0.9174 0.0786 -0.0360 0.1627 330 GLU B CG 6803 C CD . GLU B 248 ? 0.7657 1.2039 0.9408 0.0785 -0.0423 0.1697 330 GLU B CD 6804 O OE1 . GLU B 248 ? 0.8005 1.2511 0.9809 0.0762 -0.0510 0.1712 330 GLU B OE1 6805 O OE2 . GLU B 248 ? 0.7085 1.1490 0.8792 0.0804 -0.0390 0.1740 330 GLU B OE2 6806 N N . ARG B 249 ? 0.5493 0.9166 0.6938 0.0759 -0.0213 0.1307 331 ARG B N 6807 C CA . ARG B 249 ? 0.5935 0.9535 0.7344 0.0731 -0.0235 0.1203 331 ARG B CA 6808 C C . ARG B 249 ? 0.5567 0.9032 0.7024 0.0729 -0.0209 0.1184 331 ARG B C 6809 O O . ARG B 249 ? 0.5211 0.8679 0.6723 0.0711 -0.0243 0.1155 331 ARG B O 6810 C CB . ARG B 249 ? 0.5177 0.8685 0.6429 0.0722 -0.0208 0.1095 331 ARG B CB 6811 C CG . ARG B 249 ? 0.3821 0.7452 0.5008 0.0730 -0.0220 0.1109 331 ARG B CG 6812 C CD . ARG B 249 ? 0.3346 0.6894 0.4385 0.0723 -0.0199 0.0992 331 ARG B CD 6813 N NE . ARG B 249 ? 0.2953 0.6617 0.3925 0.0736 -0.0202 0.1002 331 ARG B NE 6814 C CZ . ARG B 249 ? 0.2821 0.6462 0.3672 0.0734 -0.0191 0.0908 331 ARG B CZ 6815 N NH1 . ARG B 249 ? 0.2383 0.5882 0.3168 0.0720 -0.0178 0.0799 331 ARG B NH1 6816 N NH2 . ARG B 249 ? 0.3922 0.7682 0.4719 0.0749 -0.0194 0.0924 331 ARG B NH2 6817 N N . ILE B 250 ? 0.4866 0.8214 0.6305 0.0745 -0.0151 0.1201 332 ILE B N 6818 C CA . ILE B 250 ? 0.5486 0.8699 0.6967 0.0743 -0.0125 0.1183 332 ILE B CA 6819 C C . ILE B 250 ? 0.6036 0.9349 0.7679 0.0755 -0.0152 0.1268 332 ILE B C 6820 O O . ILE B 250 ? 0.6239 0.9516 0.7934 0.0744 -0.0166 0.1239 332 ILE B O 6821 C CB . ILE B 250 ? 0.6494 0.9571 0.7930 0.0755 -0.0064 0.1192 332 ILE B CB 6822 C CG1 . ILE B 250 ? 0.5925 0.8917 0.7205 0.0746 -0.0038 0.1118 332 ILE B CG1 6823 C CG2 . ILE B 250 ? 0.7330 1.0264 0.8803 0.0749 -0.0043 0.1161 332 ILE B CG2 6824 C CD1 . ILE B 250 ? 0.4633 0.7521 0.5825 0.0719 -0.0050 0.0996 332 ILE B CD1 6825 N N . LEU B 251 ? 0.6598 1.0040 0.8321 0.0778 -0.0161 0.1376 333 LEU B N 6826 C CA . LEU B 251 ? 0.6702 1.0251 0.8586 0.0795 -0.0188 0.1469 333 LEU B CA 6827 C C . LEU B 251 ? 0.5990 0.9661 0.7938 0.0776 -0.0256 0.1462 333 LEU B C 6828 O O . LEU B 251 ? 0.6610 1.0319 0.8675 0.0781 -0.0274 0.1497 333 LEU B O 6829 C CB . LEU B 251 ? 0.6891 1.0563 0.8845 0.0822 -0.0190 0.1586 333 LEU B CB 6830 C CG . LEU B 251 ? 0.6360 0.9931 0.8286 0.0843 -0.0125 0.1617 333 LEU B CG 6831 C CD1 . LEU B 251 ? 0.6209 0.9919 0.8219 0.0869 -0.0135 0.1740 333 LEU B CD1 6832 C CD2 . LEU B 251 ? 0.5416 0.8852 0.7396 0.0851 -0.0086 0.1605 333 LEU B CD2 6833 N N . ALA B 252 ? 0.4780 0.8512 0.6653 0.0754 -0.0294 0.1419 334 ALA B N 6834 C CA . ALA B 252 ? 0.4585 0.8431 0.6513 0.0730 -0.0365 0.1408 334 ALA B CA 6835 C C . ALA B 252 ? 0.5028 0.8769 0.6960 0.0712 -0.0359 0.1332 334 ALA B C 6836 O O . ALA B 252 ? 0.4281 0.8103 0.6322 0.0705 -0.0400 0.1362 334 ALA B O 6837 C CB . ALA B 252 ? 0.4293 0.8202 0.6126 0.0707 -0.0404 0.1362 334 ALA B CB 6838 N N . VAL B 253 ? 0.5501 0.9064 0.7316 0.0704 -0.0309 0.1236 335 VAL B N 6839 C CA . VAL B 253 ? 0.5047 0.8496 0.6855 0.0686 -0.0300 0.1159 335 VAL B CA 6840 C C . VAL B 253 ? 0.4702 0.8112 0.6611 0.0706 -0.0274 0.1205 335 VAL B C 6841 O O . VAL B 253 ? 0.5201 0.8621 0.7179 0.0696 -0.0292 0.1193 335 VAL B O 6842 C CB . VAL B 253 ? 0.4825 0.8092 0.6481 0.0672 -0.0259 0.1048 335 VAL B CB 6843 C CG1 . VAL B 253 ? 0.4397 0.7543 0.6050 0.0654 -0.0252 0.0973 335 VAL B CG1 6844 C CG2 . VAL B 253 ? 0.4830 0.8138 0.6391 0.0656 -0.0284 0.0994 335 VAL B CG2 6845 N N . LEU B 254 ? 0.4144 0.7514 0.6066 0.0733 -0.0230 0.1258 336 LEU B N 6846 C CA . LEU B 254 ? 0.4489 0.7826 0.6513 0.0756 -0.0203 0.1304 336 LEU B CA 6847 C C . LEU B 254 ? 0.5137 0.8647 0.7325 0.0770 -0.0247 0.1395 336 LEU B C 6848 O O . LEU B 254 ? 0.5622 0.9121 0.7899 0.0781 -0.0240 0.1408 336 LEU B O 6849 C CB . LEU B 254 ? 0.3486 0.6759 0.5499 0.0782 -0.0153 0.1351 336 LEU B CB 6850 C CG . LEU B 254 ? 0.2305 0.5386 0.4180 0.0769 -0.0105 0.1268 336 LEU B CG 6851 C CD1 . LEU B 254 ? 0.1707 0.4747 0.3588 0.0793 -0.0060 0.1329 336 LEU B CD1 6852 C CD2 . LEU B 254 ? 0.1612 0.4553 0.3471 0.0753 -0.0089 0.1190 336 LEU B CD2 6853 N N . GLU B 255 ? 0.4441 0.8114 0.6669 0.0771 -0.0295 0.1458 337 GLU B N 6854 C CA . GLU B 255 ? 0.4289 0.8141 0.6675 0.0781 -0.0347 0.1549 337 GLU B CA 6855 C C . GLU B 255 ? 0.4237 0.8130 0.6652 0.0751 -0.0391 0.1504 337 GLU B C 6856 O O . GLU B 255 ? 0.4333 0.8319 0.6881 0.0760 -0.0416 0.1557 337 GLU B O 6857 C CB . GLU B 255 ? 0.5881 0.9896 0.8297 0.0784 -0.0395 0.1629 337 GLU B CB 6858 C CG . GLU B 255 ? 0.7325 1.1339 0.9764 0.0820 -0.0357 0.1707 337 GLU B CG 6859 C CD . GLU B 255 ? 0.8516 1.2696 1.0986 0.0823 -0.0408 0.1791 337 GLU B CD 6860 O OE1 . GLU B 255 ? 0.9221 1.3408 1.1705 0.0850 -0.0381 0.1857 337 GLU B OE1 6861 O OE2 . GLU B 255 ? 0.8382 1.2685 1.0864 0.0797 -0.0478 0.1792 337 GLU B OE2 6862 N N . TRP B 256 ? 0.4743 0.8570 0.7038 0.0717 -0.0401 0.1407 338 TRP B N 6863 C CA . TRP B 256 ? 0.5202 0.9057 0.7518 0.0685 -0.0443 0.1358 338 TRP B CA 6864 C C . TRP B 256 ? 0.6132 0.9875 0.8472 0.0690 -0.0403 0.1319 338 TRP B C 6865 O O . TRP B 256 ? 0.5963 0.9768 0.8385 0.0678 -0.0433 0.1324 338 TRP B O 6866 C CB . TRP B 256 ? 0.5098 0.8897 0.7280 0.0650 -0.0460 0.1261 338 TRP B CB 6867 C CG . TRP B 256 ? 0.6465 1.0370 0.8609 0.0644 -0.0500 0.1288 338 TRP B CG 6868 C CD1 . TRP B 256 ? 0.7277 1.1345 0.9509 0.0658 -0.0540 0.1394 338 TRP B CD1 6869 C CD2 . TRP B 256 ? 0.6529 1.0388 0.8540 0.0623 -0.0507 0.1208 338 TRP B CD2 6870 N NE1 . TRP B 256 ? 0.6813 1.0940 0.8969 0.0644 -0.0573 0.1385 338 TRP B NE1 6871 C CE2 . TRP B 256 ? 0.6166 1.0168 0.8187 0.0625 -0.0552 0.1270 338 TRP B CE2 6872 C CE3 . TRP B 256 ? 0.6686 1.0398 0.8573 0.0604 -0.0481 0.1092 338 TRP B CE3 6873 C CZ2 . TRP B 256 ? 0.5584 0.9591 0.7494 0.0609 -0.0570 0.1217 338 TRP B CZ2 6874 C CZ3 . TRP B 256 ? 0.6106 0.9822 0.7889 0.0591 -0.0497 0.1039 338 TRP B CZ3 6875 C CH2 . TRP B 256 ? 0.5384 0.9248 0.7177 0.0594 -0.0540 0.1100 338 TRP B CH2 6876 N N . LEU B 257 ? 0.7426 1.1007 0.9695 0.0706 -0.0338 0.1282 339 LEU B N 6877 C CA . LEU B 257 ? 0.7821 1.1287 1.0106 0.0711 -0.0300 0.1243 339 LEU B CA 6878 C C . LEU B 257 ? 0.7885 1.1456 1.0337 0.0742 -0.0303 0.1334 339 LEU B C 6879 O O . LEU B 257 ? 0.8101 1.1619 1.0594 0.0747 -0.0282 0.1312 339 LEU B O 6880 C CB . LEU B 257 ? 0.8102 1.1383 1.0283 0.0720 -0.0239 0.1195 339 LEU B CB 6881 C CG . LEU B 257 ? 0.8175 1.1281 1.0223 0.0691 -0.0218 0.1075 339 LEU B CG 6882 C CD1 . LEU B 257 ? 0.7676 1.0805 0.9640 0.0660 -0.0254 0.1018 339 LEU B CD1 6883 C CD2 . LEU B 257 ? 0.8647 1.1591 1.0601 0.0698 -0.0166 0.1043 339 LEU B CD2 6884 N N . GLN B 258 ? 0.7337 1.1061 0.9888 0.0764 -0.0330 0.1436 340 GLN B N 6885 C CA . GLN B 258 ? 0.6568 1.0402 0.9288 0.0799 -0.0333 0.1530 340 GLN B CA 6886 C C . GLN B 258 ? 0.6835 1.0853 0.9673 0.0786 -0.0399 0.1581 340 GLN B C 6887 O O . GLN B 258 ? 0.7354 1.1485 1.0346 0.0813 -0.0410 0.1660 340 GLN B O 6888 C CB . GLN B 258 ? 0.5716 0.9596 0.8488 0.0836 -0.0318 0.1619 340 GLN B CB 6889 C CG . GLN B 258 ? 0.4561 0.8282 0.7203 0.0839 -0.0265 0.1577 340 GLN B CG 6890 C CD . GLN B 258 ? 0.4623 0.8369 0.7342 0.0881 -0.0239 0.1666 340 GLN B CD 6891 O OE1 . GLN B 258 ? 0.4862 0.8516 0.7616 0.0906 -0.0192 0.1668 340 GLN B OE1 6892 N NE2 . GLN B 258 ? 0.3983 0.7854 0.6733 0.0888 -0.0271 0.1742 340 GLN B NE2 6893 N N . LEU B 259 ? 0.6591 1.0641 0.9361 0.0744 -0.0445 0.1535 341 LEU B N 6894 C CA . LEU B 259 ? 0.6352 1.0573 0.9225 0.0721 -0.0515 0.1576 341 LEU B CA 6895 C C . LEU B 259 ? 0.5800 1.0019 0.8752 0.0721 -0.0505 0.1562 341 LEU B C 6896 O O . LEU B 259 ? 0.4446 0.8507 0.7327 0.0723 -0.0453 0.1486 341 LEU B O 6897 C CB . LEU B 259 ? 0.5477 0.9705 0.8247 0.0673 -0.0563 0.1512 341 LEU B CB 6898 C CG . LEU B 259 ? 0.5384 0.9748 0.8160 0.0664 -0.0624 0.1569 341 LEU B CG 6899 C CD1 . LEU B 259 ? 0.5331 0.9659 0.8069 0.0698 -0.0585 0.1608 341 LEU B CD1 6900 C CD2 . LEU B 259 ? 0.4501 0.8844 0.7161 0.0617 -0.0664 0.1487 341 LEU B CD2 6901 N N . PRO B 260 ? 0.6503 1.0902 0.9607 0.0719 -0.0558 0.1638 342 PRO B N 6902 C CA . PRO B 260 ? 0.6324 1.0750 0.9517 0.0718 -0.0553 0.1635 342 PRO B CA 6903 C C . PRO B 260 ? 0.5603 0.9906 0.8682 0.0677 -0.0544 0.1522 342 PRO B C 6904 O O . PRO B 260 ? 0.5019 0.9276 0.7985 0.0641 -0.0569 0.1462 342 PRO B O 6905 C CB . PRO B 260 ? 0.7068 1.1723 1.0415 0.0705 -0.0631 0.1729 342 PRO B CB 6906 C CG . PRO B 260 ? 0.6960 1.1706 1.0345 0.0726 -0.0656 0.1812 342 PRO B CG 6907 C CD . PRO B 260 ? 0.6613 1.1207 0.9819 0.0718 -0.0626 0.1739 342 PRO B CD 6908 N N . SER B 261 ? 0.6001 1.0253 0.9115 0.0685 -0.0509 0.1496 343 SER B N 6909 C CA . SER B 261 ? 0.6286 1.0406 0.9296 0.0652 -0.0494 0.1391 343 SER B CA 6910 C C . SER B 261 ? 0.7225 1.1417 1.0220 0.0599 -0.0558 0.1365 343 SER B C 6911 O O . SER B 261 ? 0.7550 1.1619 1.0429 0.0567 -0.0552 0.1270 343 SER B O 6912 C CB . SER B 261 ? 0.6445 1.0543 0.9527 0.0671 -0.0456 0.1388 343 SER B CB 6913 O OG . SER B 261 ? 0.7432 1.1416 1.0423 0.0637 -0.0446 0.1293 343 SER B OG 6914 N N . HIS B 262 ? 0.8037 1.2427 1.1154 0.0588 -0.0623 0.1450 344 HIS B N 6915 C CA . HIS B 262 ? 0.8298 1.2774 1.1418 0.0534 -0.0695 0.1437 344 HIS B CA 6916 C C . HIS B 262 ? 0.8131 1.2606 1.1156 0.0511 -0.0736 0.1415 344 HIS B C 6917 O O . HIS B 262 ? 0.8081 1.2567 1.1059 0.0464 -0.0786 0.1368 344 HIS B O 6918 C CB . HIS B 262 ? 0.8483 1.3181 1.1789 0.0526 -0.0753 0.1541 344 HIS B CB 6919 N N . GLU B 263 ? 0.7893 1.2360 1.0895 0.0544 -0.0717 0.1451 345 GLU B N 6920 C CA . GLU B 263 ? 0.7941 1.2423 1.0860 0.0528 -0.0754 0.1440 345 GLU B CA 6921 C C . GLU B 263 ? 0.8086 1.2381 1.0848 0.0547 -0.0689 0.1364 345 GLU B C 6922 O O . GLU B 263 ? 0.7885 1.2186 1.0577 0.0545 -0.0704 0.1363 345 GLU B O 6923 C CB . GLU B 263 ? 0.7838 1.2500 1.0869 0.0544 -0.0802 0.1559 345 GLU B CB 6924 N N . ARG B 264 ? 0.8235 1.2367 1.0940 0.0562 -0.0619 0.1302 346 ARG B N 6925 C CA . ARG B 264 ? 0.7052 1.1001 0.9612 0.0577 -0.0557 0.1231 346 ARG B CA 6926 C C . ARG B 264 ? 0.6474 1.0283 0.8899 0.0543 -0.0553 0.1112 346 ARG B C 6927 O O . ARG B 264 ? 0.6635 1.0397 0.9066 0.0524 -0.0551 0.1064 346 ARG B O 6928 C CB . ARG B 264 ? 0.5265 0.9112 0.7842 0.0615 -0.0487 0.1237 346 ARG B CB 6929 C CG . ARG B 264 ? 0.3926 0.7583 0.6360 0.0627 -0.0427 0.1171 346 ARG B CG 6930 C CD . ARG B 264 ? 0.4650 0.8202 0.7103 0.0657 -0.0367 0.1170 346 ARG B CD 6931 N NE . ARG B 264 ? 0.5603 0.9114 0.8082 0.0643 -0.0361 0.1126 346 ARG B NE 6932 C CZ . ARG B 264 ? 0.5803 0.9355 0.8393 0.0667 -0.0344 0.1171 346 ARG B CZ 6933 N NH1 . ARG B 264 ? 0.6079 0.9710 0.8770 0.0707 -0.0331 0.1259 346 ARG B NH1 6934 N NH2 . ARG B 264 ? 0.5490 0.9008 0.8094 0.0653 -0.0339 0.1128 346 ARG B NH2 6935 N N . PRO B 265 ? 0.5366 0.9114 0.7673 0.0537 -0.0550 0.1066 347 PRO B N 6936 C CA . PRO B 265 ? 0.4863 0.8474 0.7043 0.0510 -0.0543 0.0952 347 PRO B CA 6937 C C . PRO B 265 ? 0.5707 0.9123 0.7814 0.0520 -0.0476 0.0882 347 PRO B C 6938 O O . PRO B 265 ? 0.5848 0.9215 0.7967 0.0550 -0.0429 0.0914 347 PRO B O 6939 C CB . PRO B 265 ? 0.3248 0.6848 0.5329 0.0514 -0.0545 0.0935 347 PRO B CB 6940 C CG . PRO B 265 ? 0.3280 0.7011 0.5434 0.0540 -0.0555 0.1041 347 PRO B CG 6941 C CD . PRO B 265 ? 0.4199 0.8014 0.6495 0.0558 -0.0555 0.1123 347 PRO B CD 6942 N N . HIS B 266 ? 0.5777 0.9084 0.7814 0.0492 -0.0476 0.0789 348 HIS B N 6943 C CA . HIS B 266 ? 0.6019 0.9141 0.7986 0.0496 -0.0421 0.0720 348 HIS B CA 6944 C C . HIS B 266 ? 0.5090 0.8057 0.6907 0.0489 -0.0394 0.0634 348 HIS B C 6945 O O . HIS B 266 ? 0.4885 0.7692 0.6631 0.0494 -0.0348 0.0583 348 HIS B O 6946 C CB . HIS B 266 ? 0.7161 1.0269 0.9171 0.0470 -0.0438 0.0684 348 HIS B CB 6947 C CG . HIS B 266 ? 0.8159 1.1123 1.0142 0.0478 -0.0388 0.0645 348 HIS B CG 6948 N ND1 . HIS B 266 ? 0.8779 1.1616 1.0704 0.0454 -0.0381 0.0560 348 HIS B ND1 6949 C CD2 . HIS B 266 ? 0.8076 1.1005 1.0086 0.0507 -0.0346 0.0679 348 HIS B CD2 6950 C CE1 . HIS B 266 ? 0.8639 1.1371 1.0553 0.0465 -0.0339 0.0543 348 HIS B CE1 6951 N NE2 . HIS B 266 ? 0.8417 1.1202 1.0381 0.0497 -0.0317 0.0613 348 HIS B NE2 6952 N N . PHE B 267 ? 0.3571 0.6591 0.5346 0.0478 -0.0426 0.0619 349 PHE B N 6953 C CA . PHE B 267 ? 0.2705 0.5603 0.4343 0.0475 -0.0401 0.0544 349 PHE B CA 6954 C C . PHE B 267 ? 0.3071 0.6051 0.4679 0.0494 -0.0402 0.0590 349 PHE B C 6955 O O . PHE B 267 ? 0.4025 0.7171 0.5703 0.0493 -0.0450 0.0650 349 PHE B O 6956 C CB . PHE B 267 ? 0.2964 0.5832 0.4562 0.0443 -0.0434 0.0467 349 PHE B CB 6957 C CG . PHE B 267 ? 0.2803 0.5581 0.4268 0.0443 -0.0415 0.0398 349 PHE B CG 6958 C CD1 . PHE B 267 ? 0.2950 0.5547 0.4308 0.0448 -0.0361 0.0335 349 PHE B CD1 6959 C CD2 . PHE B 267 ? 0.2368 0.5246 0.3814 0.0437 -0.0454 0.0396 349 PHE B CD2 6960 C CE1 . PHE B 267 ? 0.2820 0.5343 0.4054 0.0449 -0.0341 0.0273 349 PHE B CE1 6961 C CE2 . PHE B 267 ? 0.3203 0.6009 0.4524 0.0441 -0.0432 0.0331 349 PHE B CE2 6962 C CZ . PHE B 267 ? 0.2861 0.5492 0.4075 0.0448 -0.0373 0.0270 349 PHE B CZ 6963 N N . TYR B 268 ? 0.2865 0.5734 0.4372 0.0511 -0.0353 0.0564 350 TYR B N 6964 C CA . TYR B 268 ? 0.3951 0.6894 0.5429 0.0533 -0.0346 0.0613 350 TYR B CA 6965 C C . TYR B 268 ? 0.4617 0.7461 0.5950 0.0533 -0.0318 0.0540 350 TYR B C 6966 O O . TYR B 268 ? 0.5236 0.7920 0.6487 0.0523 -0.0287 0.0463 350 TYR B O 6967 C CB . TYR B 268 ? 0.4657 0.7594 0.6178 0.0562 -0.0308 0.0687 350 TYR B CB 6968 C CG . TYR B 268 ? 0.4879 0.7923 0.6546 0.0569 -0.0329 0.0767 350 TYR B CG 6969 C CD1 . TYR B 268 ? 0.5226 0.8200 0.6937 0.0563 -0.0318 0.0746 350 TYR B CD1 6970 C CD2 . TYR B 268 ? 0.4961 0.8182 0.6723 0.0583 -0.0362 0.0865 350 TYR B CD2 6971 C CE1 . TYR B 268 ? 0.5796 0.8876 0.7641 0.0573 -0.0334 0.0819 350 TYR B CE1 6972 C CE2 . TYR B 268 ? 0.5464 0.8789 0.7364 0.0592 -0.0382 0.0940 350 TYR B CE2 6973 C CZ . TYR B 268 ? 0.5272 0.8527 0.7213 0.0588 -0.0366 0.0916 350 TYR B CZ 6974 O OH . TYR B 268 ? 0.4212 0.7578 0.6293 0.0599 -0.0382 0.0992 350 TYR B OH 6975 N N . THR B 269 ? 0.4661 0.7610 0.5966 0.0543 -0.0331 0.0567 351 THR B N 6976 C CA . THR B 269 ? 0.3993 0.6873 0.5162 0.0550 -0.0301 0.0509 351 THR B CA 6977 C C . THR B 269 ? 0.3933 0.6878 0.5086 0.0579 -0.0277 0.0580 351 THR B C 6978 O O . THR B 269 ? 0.3076 0.6162 0.4323 0.0590 -0.0301 0.0673 351 THR B O 6979 C CB . THR B 269 ? 0.2816 0.5758 0.3942 0.0534 -0.0340 0.0450 351 THR B CB 6980 O OG1 . THR B 269 ? 0.2444 0.5573 0.3626 0.0538 -0.0385 0.0520 351 THR B OG1 6981 C CG2 . THR B 269 ? 0.2171 0.5086 0.3345 0.0503 -0.0377 0.0401 351 THR B CG2 6982 N N . LEU B 270 ? 0.4050 0.6894 0.5085 0.0590 -0.0230 0.0540 352 LEU B N 6983 C CA . LEU B 270 ? 0.2675 0.5575 0.3682 0.0617 -0.0204 0.0602 352 LEU B CA 6984 C C . LEU B 270 ? 0.2686 0.5541 0.3550 0.0623 -0.0179 0.0533 352 LEU B C 6985 O O . LEU B 270 ? 0.3715 0.6424 0.4491 0.0612 -0.0158 0.0445 352 LEU B O 6986 C CB . LEU B 270 ? 0.2542 0.5350 0.3575 0.0630 -0.0161 0.0653 352 LEU B CB 6987 C CG . LEU B 270 ? 0.2599 0.5515 0.3772 0.0644 -0.0174 0.0764 352 LEU B CG 6988 C CD1 . LEU B 270 ? 0.2925 0.5728 0.4120 0.0656 -0.0130 0.0797 352 LEU B CD1 6989 C CD2 . LEU B 270 ? 0.1943 0.5034 0.3146 0.0663 -0.0192 0.0847 352 LEU B CD2 6990 N N . TYR B 271 ? 0.3388 0.6376 0.4232 0.0641 -0.0184 0.0574 353 TYR B N 6991 C CA . TYR B 271 ? 0.3546 0.6516 0.4256 0.0652 -0.0160 0.0510 353 TYR B CA 6992 C C . TYR B 271 ? 0.2111 0.5149 0.2791 0.0680 -0.0127 0.0584 353 TYR B C 6993 O O . TYR B 271 ? 0.1645 0.4827 0.2407 0.0691 -0.0147 0.0679 353 TYR B O 6994 C CB . TYR B 271 ? 0.3928 0.7004 0.4621 0.0642 -0.0204 0.0455 353 TYR B CB 6995 C CG . TYR B 271 ? 0.3926 0.7024 0.4492 0.0661 -0.0179 0.0400 353 TYR B CG 6996 C CD1 . TYR B 271 ? 0.3141 0.6405 0.3709 0.0679 -0.0189 0.0457 353 TYR B CD1 6997 C CD2 . TYR B 271 ? 0.2975 0.5931 0.3419 0.0662 -0.0146 0.0292 353 TYR B CD2 6998 C CE1 . TYR B 271 ? 0.3688 0.6981 0.4140 0.0701 -0.0163 0.0406 353 TYR B CE1 6999 C CE2 . TYR B 271 ? 0.3884 0.6865 0.4210 0.0684 -0.0122 0.0239 353 TYR B CE2 7000 C CZ . TYR B 271 ? 0.4255 0.7408 0.4587 0.0705 -0.0128 0.0296 353 TYR B CZ 7001 O OH . TYR B 271 ? 0.4651 0.7838 0.4867 0.0731 -0.0101 0.0242 353 TYR B OH 7002 N N . LEU B 272 ? 0.2395 0.5326 0.2958 0.0692 -0.0082 0.0541 354 LEU B N 7003 C CA . LEU B 272 ? 0.2908 0.5893 0.3429 0.0719 -0.0046 0.0604 354 LEU B CA 7004 C C . LEU B 272 ? 0.3978 0.6960 0.4356 0.0732 -0.0029 0.0523 354 LEU B C 7005 O O . LEU B 272 ? 0.4069 0.6925 0.4365 0.0720 -0.0025 0.0420 354 LEU B O 7006 C CB . LEU B 272 ? 0.3292 0.6144 0.3823 0.0723 -0.0007 0.0651 354 LEU B CB 7007 C CG . LEU B 272 ? 0.2695 0.5596 0.3359 0.0729 -0.0006 0.0767 354 LEU B CG 7008 C CD1 . LEU B 272 ? 0.2693 0.5608 0.3467 0.0710 -0.0046 0.0768 354 LEU B CD1 7009 C CD2 . LEU B 272 ? 0.3069 0.5830 0.3730 0.0732 0.0036 0.0800 354 LEU B CD2 7010 N N . GLU B 273 ? 0.4416 0.7542 0.4769 0.0757 -0.0019 0.0570 355 GLU B N 7011 C CA . GLU B 273 ? 0.3787 0.6937 0.4008 0.0775 0.0000 0.0498 355 GLU B CA 7012 C C . GLU B 273 ? 0.4391 0.7404 0.4508 0.0788 0.0047 0.0485 355 GLU B C 7013 O O . GLU B 273 ? 0.4322 0.7321 0.4318 0.0803 0.0061 0.0414 355 GLU B O 7014 C CB . GLU B 273 ? 0.3133 0.6499 0.3370 0.0797 -0.0010 0.0554 355 GLU B CB 7015 C CG . GLU B 273 ? 0.4112 0.7621 0.4438 0.0779 -0.0075 0.0552 355 GLU B CG 7016 C CD . GLU B 273 ? 0.3814 0.7392 0.4290 0.0765 -0.0114 0.0664 355 GLU B CD 7017 O OE1 . GLU B 273 ? 0.3797 0.7333 0.4308 0.0775 -0.0081 0.0748 355 GLU B OE1 7018 O OE2 . GLU B 273 ? 0.2073 0.5745 0.2631 0.0742 -0.0181 0.0670 355 GLU B OE2 7019 N N . GLU B 274 ? 0.5388 0.8302 0.5559 0.0781 0.0065 0.0554 356 GLU B N 7020 C CA . GLU B 274 ? 0.4816 0.7591 0.4916 0.0786 0.0098 0.0556 356 GLU B CA 7021 C C . GLU B 274 ? 0.5151 0.7724 0.5232 0.0755 0.0085 0.0470 356 GLU B C 7022 O O . GLU B 274 ? 0.6163 0.8696 0.6317 0.0731 0.0062 0.0449 356 GLU B O 7023 C CB . GLU B 274 ? 0.3935 0.6722 0.4117 0.0796 0.0127 0.0684 356 GLU B CB 7024 C CG . GLU B 274 ? 0.3875 0.6848 0.4062 0.0828 0.0146 0.0775 356 GLU B CG 7025 C CD . GLU B 274 ? 0.4505 0.7491 0.4565 0.0853 0.0175 0.0758 356 GLU B CD 7026 O OE1 . GLU B 274 ? 0.5448 0.8604 0.5493 0.0880 0.0189 0.0809 356 GLU B OE1 7027 O OE2 . GLU B 274 ? 0.3899 0.6732 0.3880 0.0845 0.0180 0.0695 356 GLU B OE2 7028 N N . PRO B 275 ? 0.4057 0.6508 0.4048 0.0753 0.0095 0.0422 357 PRO B N 7029 C CA . PRO B 275 ? 0.5315 0.7800 0.5219 0.0780 0.0119 0.0445 357 PRO B CA 7030 C C . PRO B 275 ? 0.5549 0.8073 0.5358 0.0790 0.0100 0.0345 357 PRO B C 7031 O O . PRO B 275 ? 0.5013 0.7452 0.4796 0.0789 0.0096 0.0315 357 PRO B O 7032 C CB . PRO B 275 ? 0.4269 0.6566 0.4170 0.0760 0.0124 0.0436 357 PRO B CB 7033 C CG . PRO B 275 ? 0.2540 0.4711 0.2456 0.0722 0.0093 0.0340 357 PRO B CG 7034 C CD . PRO B 275 ? 0.2497 0.4754 0.2491 0.0718 0.0081 0.0355 357 PRO B CD 7035 N N . ASP B 276 ? 0.5116 0.7740 0.4921 0.0791 0.0082 0.0291 358 ASP B N 7036 C CA . ASP B 276 ? 0.4668 0.7299 0.4439 0.0790 0.0058 0.0191 358 ASP B CA 7037 C C . ASP B 276 ? 0.5518 0.8282 0.5280 0.0822 0.0074 0.0244 358 ASP B C 7038 O O . ASP B 276 ? 0.6132 0.8836 0.5862 0.0822 0.0063 0.0189 358 ASP B O 7039 C CB . ASP B 276 ? 0.3746 0.6473 0.3527 0.0786 0.0038 0.0130 358 ASP B CB 7040 C CG . ASP B 276 ? 0.3725 0.6448 0.3484 0.0784 0.0015 0.0025 358 ASP B CG 7041 O OD1 . ASP B 276 ? 0.3989 0.6908 0.3751 0.0811 0.0020 0.0041 358 ASP B OD1 7042 O OD2 . ASP B 276 ? 0.3750 0.6281 0.3493 0.0755 -0.0007 -0.0066 358 ASP B OD2 7043 N N . SER B 277 ? 0.4717 0.7668 0.4513 0.0847 0.0100 0.0357 359 SER B N 7044 C CA . SER B 277 ? 0.4206 0.7312 0.4004 0.0877 0.0117 0.0419 359 SER B CA 7045 C C . SER B 277 ? 0.3970 0.6960 0.3751 0.0883 0.0132 0.0448 359 SER B C 7046 O O . SER B 277 ? 0.4147 0.7157 0.3896 0.0896 0.0128 0.0416 359 SER B O 7047 C CB . SER B 277 ? 0.4375 0.7701 0.4233 0.0895 0.0141 0.0556 359 SER B CB 7048 O OG . SER B 277 ? 0.4536 0.7941 0.4469 0.0876 0.0103 0.0530 359 SER B OG 7049 N N . SER B 278 ? 0.3593 0.6471 0.3398 0.0874 0.0150 0.0511 360 SER B N 7050 C CA . SER B 278 ? 0.4174 0.6951 0.3972 0.0880 0.0166 0.0547 360 SER B CA 7051 C C . SER B 278 ? 0.4049 0.6663 0.3798 0.0862 0.0138 0.0436 360 SER B C 7052 O O . SER B 278 ? 0.4068 0.6646 0.3800 0.0874 0.0143 0.0445 360 SER B O 7053 C CB . SER B 278 ? 0.4517 0.7220 0.4367 0.0873 0.0194 0.0643 360 SER B CB 7054 O OG . SER B 278 ? 0.5390 0.8246 0.5300 0.0890 0.0222 0.0762 360 SER B OG 7055 N N . GLY B 279 ? 0.4088 0.6617 0.3824 0.0834 0.0107 0.0337 361 GLY B N 7056 C CA . GLY B 279 ? 0.4517 0.6899 0.4223 0.0811 0.0077 0.0234 361 GLY B CA 7057 C C . GLY B 279 ? 0.4229 0.6663 0.3901 0.0824 0.0060 0.0173 361 GLY B C 7058 O O . GLY B 279 ? 0.3870 0.6235 0.3524 0.0825 0.0048 0.0142 361 GLY B O 7059 N N . HIS B 280 ? 0.4377 0.6951 0.4048 0.0837 0.0058 0.0161 362 HIS B N 7060 C CA . HIS B 280 ? 0.3790 0.6431 0.3433 0.0851 0.0045 0.0105 362 HIS B CA 7061 C C . HIS B 280 ? 0.4426 0.7151 0.4054 0.0886 0.0065 0.0176 362 HIS B C 7062 O O . HIS B 280 ? 0.4906 0.7596 0.4507 0.0895 0.0049 0.0139 362 HIS B O 7063 C CB . HIS B 280 ? 0.2244 0.5047 0.1900 0.0860 0.0044 0.0082 362 HIS B CB 7064 C CG . HIS B 280 ? 0.3609 0.6336 0.3275 0.0830 0.0018 -0.0014 362 HIS B CG 7065 N ND1 . HIS B 280 ? 0.5487 0.8107 0.5140 0.0810 -0.0009 -0.0118 362 HIS B ND1 7066 C CD2 . HIS B 280 ? 0.4227 0.6976 0.3922 0.0818 0.0016 -0.0016 362 HIS B CD2 7067 C CE1 . HIS B 280 ? 0.5852 0.8420 0.5527 0.0786 -0.0025 -0.0180 362 HIS B CE1 7068 N NE2 . HIS B 280 ? 0.4618 0.7267 0.4316 0.0792 -0.0011 -0.0123 362 HIS B NE2 7069 N N . SER B 281 ? 0.4030 0.6874 0.3683 0.0908 0.0098 0.0287 363 SER B N 7070 C CA . SER B 281 ? 0.4621 0.7576 0.4269 0.0942 0.0122 0.0363 363 SER B CA 7071 C C . SER B 281 ? 0.3703 0.6554 0.3346 0.0952 0.0132 0.0410 363 SER B C 7072 O O . SER B 281 ? 0.5143 0.8062 0.4772 0.0982 0.0142 0.0449 363 SER B O 7073 C CB . SER B 281 ? 0.5124 0.8261 0.4817 0.0960 0.0154 0.0475 363 SER B CB 7074 O OG . SER B 281 ? 0.5309 0.8378 0.5043 0.0949 0.0174 0.0554 363 SER B OG 7075 N N . HIS B 282 ? 0.1594 0.4297 0.1253 0.0930 0.0131 0.0409 364 HIS B N 7076 C CA . HIS B 282 ? 0.2758 0.5383 0.2427 0.0942 0.0149 0.0466 364 HIS B CA 7077 C C . HIS B 282 ? 0.3283 0.5753 0.2944 0.0920 0.0127 0.0395 364 HIS B C 7078 O O . HIS B 282 ? 0.3834 0.6258 0.3501 0.0936 0.0140 0.0430 364 HIS B O 7079 C CB . HIS B 282 ? 0.2743 0.5372 0.2465 0.0943 0.0190 0.0587 364 HIS B CB 7080 C CG . HIS B 282 ? 0.3330 0.6125 0.3074 0.0969 0.0217 0.0676 364 HIS B CG 7081 N ND1 . HIS B 282 ? 0.4453 0.7333 0.4243 0.0963 0.0234 0.0741 364 HIS B ND1 7082 C CD2 . HIS B 282 ? 0.3143 0.6050 0.2876 0.1001 0.0229 0.0717 364 HIS B CD2 7083 C CE1 . HIS B 282 ? 0.4350 0.7391 0.4161 0.0989 0.0256 0.0819 364 HIS B CE1 7084 N NE2 . HIS B 282 ? 0.3367 0.6422 0.3141 0.1011 0.0253 0.0802 364 HIS B NE2 7085 N N . GLY B 283 ? 0.3161 0.5561 0.2815 0.0886 0.0096 0.0300 365 GLY B N 7086 C CA . GLY B 283 ? 0.3939 0.6202 0.3591 0.0859 0.0071 0.0225 365 GLY B CA 7087 C C . GLY B 283 ? 0.4928 0.7078 0.4609 0.0827 0.0079 0.0242 365 GLY B C 7088 O O . GLY B 283 ? 0.5156 0.7328 0.4864 0.0833 0.0111 0.0333 365 GLY B O 7089 N N . PRO B 284 ? 0.4939 0.6972 0.4622 0.0791 0.0049 0.0154 366 PRO B N 7090 C CA . PRO B 284 ? 0.4046 0.5967 0.3754 0.0756 0.0050 0.0151 366 PRO B CA 7091 C C . PRO B 284 ? 0.4964 0.6845 0.4696 0.0767 0.0086 0.0247 366 PRO B C 7092 O O . PRO B 284 ? 0.6217 0.8051 0.5977 0.0751 0.0104 0.0292 366 PRO B O 7093 C CB . PRO B 284 ? 0.4699 0.6513 0.4406 0.0720 0.0010 0.0036 366 PRO B CB 7094 C CG . PRO B 284 ? 0.5135 0.7009 0.4823 0.0729 -0.0014 -0.0027 366 PRO B CG 7095 C CD . PRO B 284 ? 0.5843 0.7850 0.5511 0.0781 0.0011 0.0050 366 PRO B CD 7096 N N . VAL B 285 ? 0.4344 0.6245 0.4072 0.0795 0.0101 0.0282 367 VAL B N 7097 C CA . VAL B 285 ? 0.4238 0.6096 0.4000 0.0806 0.0143 0.0384 367 VAL B CA 7098 C C . VAL B 285 ? 0.5546 0.7493 0.5329 0.0843 0.0185 0.0500 367 VAL B C 7099 O O . VAL B 285 ? 0.6770 0.8704 0.6578 0.0864 0.0218 0.0572 367 VAL B O 7100 C CB . VAL B 285 ? 0.3092 0.4873 0.2886 0.0799 0.0138 0.0346 367 VAL B CB 7101 C CG1 . VAL B 285 ? 0.1208 0.2851 0.1049 0.0740 0.0106 0.0244 367 VAL B CG1 7102 C CG2 . VAL B 285 ? 0.5823 0.7718 0.5551 0.0845 0.0119 0.0309 367 VAL B CG2 7103 N N . SER B 286 ? 0.6184 0.8223 0.5964 0.0851 0.0187 0.0520 368 SER B N 7104 C CA . SER B 286 ? 0.6473 0.8609 0.6276 0.0883 0.0223 0.0625 368 SER B CA 7105 C C . SER B 286 ? 0.6420 0.8516 0.6293 0.0871 0.0262 0.0730 368 SER B C 7106 O O . SER B 286 ? 0.5384 0.7388 0.5282 0.0840 0.0261 0.0720 368 SER B O 7107 C CB . SER B 286 ? 0.6388 0.8660 0.6162 0.0898 0.0208 0.0603 368 SER B CB 7108 O OG . SER B 286 ? 0.5937 0.8218 0.5722 0.0875 0.0198 0.0584 368 SER B OG 7109 N N . SER B 287 ? 0.6724 0.8892 0.6634 0.0896 0.0297 0.0829 369 SER B N 7110 C CA . SER B 287 ? 0.4742 0.6885 0.4734 0.0885 0.0335 0.0932 369 SER B CA 7111 C C . SER B 287 ? 0.4262 0.6495 0.4268 0.0881 0.0330 0.0947 369 SER B C 7112 O O . SER B 287 ? 0.3703 0.5904 0.3775 0.0865 0.0349 0.1006 369 SER B O 7113 C CB . SER B 287 ? 0.3320 0.5511 0.3355 0.0912 0.0372 0.1030 369 SER B CB 7114 O OG . SER B 287 ? 0.3990 0.6145 0.4118 0.0899 0.0407 0.1125 369 SER B OG 7115 N N . GLU B 288 ? 0.4738 0.7089 0.4688 0.0897 0.0304 0.0895 370 GLU B N 7116 C CA . GLU B 288 ? 0.5204 0.7676 0.5168 0.0899 0.0300 0.0914 370 GLU B CA 7117 C C . GLU B 288 ? 0.4429 0.6845 0.4385 0.0871 0.0277 0.0851 370 GLU B C 7118 O O . GLU B 288 ? 0.1844 0.4328 0.1843 0.0869 0.0286 0.0901 370 GLU B O 7119 C CB . GLU B 288 ? 0.6420 0.9046 0.6335 0.0923 0.0283 0.0880 370 GLU B CB 7120 C CG . GLU B 288 ? 0.7415 1.0151 0.7353 0.0954 0.0312 0.0971 370 GLU B CG 7121 C CD . GLU B 288 ? 0.7842 1.0500 0.7760 0.0967 0.0319 0.0969 370 GLU B CD 7122 O OE1 . GLU B 288 ? 0.8242 1.0803 0.8112 0.0958 0.0294 0.0880 370 GLU B OE1 7123 O OE2 . GLU B 288 ? 0.7274 0.9978 0.7231 0.0986 0.0351 0.1061 370 GLU B OE2 7124 N N . VAL B 289 ? 0.5130 0.7431 0.5038 0.0851 0.0248 0.0747 371 VAL B N 7125 C CA . VAL B 289 ? 0.4488 0.6727 0.4389 0.0823 0.0225 0.0683 371 VAL B CA 7126 C C . VAL B 289 ? 0.4027 0.6169 0.3992 0.0803 0.0250 0.0749 371 VAL B C 7127 O O . VAL B 289 ? 0.4838 0.6956 0.4863 0.0781 0.0236 0.0731 371 VAL B O 7128 C CB . VAL B 289 ? 0.4543 0.6687 0.4384 0.0803 0.0183 0.0549 371 VAL B CB 7129 C CG1 . VAL B 289 ? 0.3791 0.6028 0.3582 0.0816 0.0156 0.0474 371 VAL B CG1 7130 C CG2 . VAL B 289 ? 0.5500 0.7532 0.5340 0.0798 0.0190 0.0549 371 VAL B CG2 7131 N N . ILE B 290 ? 0.3256 0.5314 0.3259 0.0801 0.0277 0.0806 372 ILE B N 7132 C CA . ILE B 290 ? 0.3166 0.5106 0.3280 0.0772 0.0296 0.0852 372 ILE B CA 7133 C C . ILE B 290 ? 0.4063 0.6101 0.4252 0.0784 0.0319 0.0950 372 ILE B C 7134 O O . ILE B 290 ? 0.4513 0.6497 0.4785 0.0760 0.0312 0.0948 372 ILE B O 7135 C CB . ILE B 290 ? 0.2366 0.4213 0.2512 0.0769 0.0327 0.0905 372 ILE B CB 7136 C CG1 . ILE B 290 ? 0.2213 0.3940 0.2328 0.0745 0.0299 0.0803 372 ILE B CG1 7137 C CG2 . ILE B 290 ? 0.1198 0.2954 0.1463 0.0743 0.0354 0.0970 372 ILE B CG2 7138 C CD1 . ILE B 290 ? 0.1126 0.2724 0.1313 0.0724 0.0324 0.0835 372 ILE B CD1 7139 N N . LYS B 291 ? 0.3431 0.5621 0.3596 0.0822 0.0345 0.1035 373 LYS B N 7140 C CA . LYS B 291 ? 0.3624 0.5932 0.3869 0.0835 0.0364 0.1130 373 LYS B CA 7141 C C . LYS B 291 ? 0.3592 0.5973 0.3847 0.0828 0.0327 0.1072 373 LYS B C 7142 O O . LYS B 291 ? 0.3264 0.5678 0.3620 0.0822 0.0325 0.1119 373 LYS B O 7143 C CB . LYS B 291 ? 0.3574 0.6020 0.3817 0.0869 0.0385 0.1203 373 LYS B CB 7144 C CG . LYS B 291 ? 0.3646 0.6016 0.3943 0.0870 0.0417 0.1267 373 LYS B CG 7145 C CD . LYS B 291 ? 0.4497 0.7008 0.4811 0.0902 0.0435 0.1340 373 LYS B CD 7146 C CE . LYS B 291 ? 0.5603 0.8161 0.5818 0.0920 0.0413 0.1267 373 LYS B CE 7147 N NZ . LYS B 291 ? 0.4287 0.6983 0.4521 0.0950 0.0433 0.1342 373 LYS B NZ 7148 N N . ALA B 292 ? 0.3105 0.5509 0.3260 0.0829 0.0295 0.0971 374 ALA B N 7149 C CA . ALA B 292 ? 0.2657 0.5122 0.2821 0.0820 0.0259 0.0908 374 ALA B CA 7150 C C . ALA B 292 ? 0.4125 0.6437 0.4348 0.0781 0.0236 0.0847 374 ALA B C 7151 O O . ALA B 292 ? 0.4756 0.7103 0.5055 0.0772 0.0219 0.0853 374 ALA B O 7152 C CB . ALA B 292 ? 0.1340 0.3872 0.1381 0.0831 0.0236 0.0815 374 ALA B CB 7153 N N . LEU B 293 ? 0.4299 0.6448 0.4494 0.0759 0.0232 0.0790 375 LEU B N 7154 C CA . LEU B 293 ? 0.3802 0.5803 0.4053 0.0720 0.0212 0.0730 375 LEU B CA 7155 C C . LEU B 293 ? 0.2990 0.4965 0.3365 0.0713 0.0232 0.0814 375 LEU B C 7156 O O . LEU B 293 ? 0.2080 0.4023 0.2519 0.0695 0.0214 0.0791 375 LEU B O 7157 C CB . LEU B 293 ? 0.4264 0.6107 0.4476 0.0695 0.0206 0.0663 375 LEU B CB 7158 C CG . LEU B 293 ? 0.4164 0.5997 0.4271 0.0691 0.0174 0.0553 375 LEU B CG 7159 C CD1 . LEU B 293 ? 0.4230 0.5910 0.4330 0.0664 0.0167 0.0500 375 LEU B CD1 7160 C CD2 . LEU B 293 ? 0.3028 0.4874 0.3126 0.0676 0.0139 0.0472 375 LEU B CD2 7161 N N . GLN B 294 ? 0.2748 0.4737 0.3158 0.0729 0.0271 0.0912 376 GLN B N 7162 C CA . GLN B 294 ? 0.3126 0.5099 0.3657 0.0725 0.0294 0.0997 376 GLN B CA 7163 C C . GLN B 294 ? 0.3600 0.5722 0.4196 0.0745 0.0285 0.1051 376 GLN B C 7164 O O . GLN B 294 ? 0.3444 0.5547 0.4141 0.0737 0.0281 0.1078 376 GLN B O 7165 C CB . GLN B 294 ? 0.3312 0.5273 0.3868 0.0738 0.0340 0.1093 376 GLN B CB 7166 C CG . GLN B 294 ? 0.4208 0.6004 0.4748 0.0711 0.0349 0.1056 376 GLN B CG 7167 C CD . GLN B 294 ? 0.5172 0.6957 0.5750 0.0722 0.0398 0.1159 376 GLN B CD 7168 O OE1 . GLN B 294 ? 0.5597 0.7510 0.6176 0.0755 0.0423 0.1248 376 GLN B OE1 7169 N NE2 . GLN B 294 ? 0.4181 0.5819 0.4798 0.0693 0.0411 0.1148 376 GLN B NE2 7170 N N . LYS B 295 ? 0.3832 0.6108 0.4375 0.0771 0.0280 0.1068 377 LYS B N 7171 C CA . LYS B 295 ? 0.4709 0.7146 0.5321 0.0788 0.0265 0.1119 377 LYS B CA 7172 C C . LYS B 295 ? 0.4697 0.7116 0.5332 0.0768 0.0222 0.1040 377 LYS B C 7173 O O . LYS B 295 ? 0.4278 0.6749 0.5019 0.0769 0.0209 0.1082 377 LYS B O 7174 C CB . LYS B 295 ? 0.4279 0.6889 0.4826 0.0816 0.0266 0.1144 377 LYS B CB 7175 C CG . LYS B 295 ? 0.4254 0.7043 0.4884 0.0828 0.0242 0.1199 377 LYS B CG 7176 C CD . LYS B 295 ? 0.4841 0.7809 0.5410 0.0852 0.0240 0.1216 377 LYS B CD 7177 C CE . LYS B 295 ? 0.5549 0.8699 0.6220 0.0859 0.0206 0.1275 377 LYS B CE 7178 N NZ . LYS B 295 ? 0.5254 0.8587 0.5873 0.0877 0.0197 0.1286 377 LYS B NZ 7179 N N . VAL B 296 ? 0.4642 0.6994 0.5183 0.0751 0.0200 0.0929 378 VAL B N 7180 C CA . VAL B 296 ? 0.4525 0.6854 0.5082 0.0731 0.0161 0.0850 378 VAL B CA 7181 C C . VAL B 296 ? 0.4049 0.6235 0.4683 0.0706 0.0161 0.0839 378 VAL B C 7182 O O . VAL B 296 ? 0.4005 0.6201 0.4706 0.0696 0.0137 0.0823 378 VAL B O 7183 C CB . VAL B 296 ? 0.4142 0.6430 0.4578 0.0719 0.0139 0.0732 378 VAL B CB 7184 C CG1 . VAL B 296 ? 0.4076 0.6170 0.4474 0.0690 0.0139 0.0657 378 VAL B CG1 7185 C CG2 . VAL B 296 ? 0.3919 0.6275 0.4373 0.0710 0.0101 0.0678 378 VAL B CG2 7186 N N . ASP B 297 ? 0.3690 0.5749 0.4320 0.0695 0.0187 0.0847 379 ASP B N 7187 C CA . ASP B 297 ? 0.4040 0.5964 0.4741 0.0670 0.0189 0.0834 379 ASP B CA 7188 C C . ASP B 297 ? 0.3834 0.5813 0.4662 0.0683 0.0200 0.0924 379 ASP B C 7189 O O . ASP B 297 ? 0.2943 0.4873 0.3837 0.0669 0.0186 0.0901 379 ASP B O 7190 C CB . ASP B 297 ? 0.4315 0.6105 0.4989 0.0655 0.0215 0.0831 379 ASP B CB 7191 C CG . ASP B 297 ? 0.4278 0.5933 0.5026 0.0627 0.0219 0.0817 379 ASP B CG 7192 O OD1 . ASP B 297 ? 0.2800 0.4353 0.3524 0.0596 0.0194 0.0725 379 ASP B OD1 7193 O OD2 . ASP B 297 ? 0.4733 0.6388 0.5567 0.0635 0.0247 0.0898 379 ASP B OD2 7194 N N . ARG B 298 ? 0.4729 0.6814 0.5598 0.0712 0.0225 0.1027 380 ARG B N 7195 C CA . ARG B 298 ? 0.5036 0.7182 0.6037 0.0728 0.0235 0.1119 380 ARG B CA 7196 C C . ARG B 298 ? 0.4054 0.6323 0.5110 0.0737 0.0199 0.1120 380 ARG B C 7197 O O . ARG B 298 ? 0.4813 0.7100 0.5978 0.0742 0.0193 0.1158 380 ARG B O 7198 C CB . ARG B 298 ? 0.5443 0.7676 0.6478 0.0755 0.0270 0.1232 380 ARG B CB 7199 C CG . ARG B 298 ? 0.6738 0.9129 0.7716 0.0778 0.0264 0.1261 380 ARG B CG 7200 C CD . ARG B 298 ? 0.8040 1.0515 0.9062 0.0803 0.0300 0.1379 380 ARG B CD 7201 N NE . ARG B 298 ? 0.8930 1.1280 0.9919 0.0794 0.0341 0.1390 380 ARG B NE 7202 C CZ . ARG B 298 ? 0.8824 1.1195 0.9729 0.0805 0.0365 0.1409 380 ARG B CZ 7203 N NH1 . ARG B 298 ? 0.8343 1.0597 0.9234 0.0794 0.0399 0.1422 380 ARG B NH1 7204 N NH2 . ARG B 298 ? 0.8588 1.1105 0.9429 0.0825 0.0354 0.1415 380 ARG B NH2 7205 N N . LEU B 299 ? 0.2792 0.5149 0.3774 0.0740 0.0173 0.1080 381 LEU B N 7206 C CA . LEU B 299 ? 0.3777 0.6261 0.4810 0.0745 0.0134 0.1080 381 LEU B CA 7207 C C . LEU B 299 ? 0.4104 0.6503 0.5164 0.0721 0.0109 0.1006 381 LEU B C 7208 O O . LEU B 299 ? 0.4328 0.6805 0.5484 0.0727 0.0085 0.1035 381 LEU B O 7209 C CB . LEU B 299 ? 0.4366 0.6955 0.5309 0.0749 0.0114 0.1045 381 LEU B CB 7210 C CG . LEU B 299 ? 0.5688 0.8426 0.6633 0.0776 0.0128 0.1134 381 LEU B CG 7211 C CD1 . LEU B 299 ? 0.6583 0.9415 0.7432 0.0778 0.0108 0.1082 381 LEU B CD1 7212 C CD2 . LEU B 299 ? 0.4967 0.7843 0.6055 0.0793 0.0112 0.1239 381 LEU B CD2 7213 N N . VAL B 300 ? 0.3294 0.5539 0.4274 0.0696 0.0112 0.0913 382 VAL B N 7214 C CA . VAL B 300 ? 0.2742 0.4894 0.3746 0.0671 0.0092 0.0843 382 VAL B CA 7215 C C . VAL B 300 ? 0.4113 0.6212 0.5222 0.0674 0.0111 0.0894 382 VAL B C 7216 O O . VAL B 300 ? 0.4952 0.7057 0.6135 0.0671 0.0094 0.0887 382 VAL B O 7217 C CB . VAL B 300 ? 0.2410 0.4413 0.3308 0.0641 0.0089 0.0734 382 VAL B CB 7218 C CG1 . VAL B 300 ? 0.1868 0.3773 0.2799 0.0615 0.0071 0.0669 382 VAL B CG1 7219 C CG2 . VAL B 300 ? 0.1643 0.3703 0.2441 0.0642 0.0071 0.0679 382 VAL B CG2 7220 N N . GLY B 301 ? 0.4999 0.7049 0.6117 0.0681 0.0146 0.0946 383 GLY B N 7221 C CA . GLY B 301 ? 0.5423 0.7427 0.6642 0.0687 0.0168 0.0999 383 GLY B CA 7222 C C . GLY B 301 ? 0.6037 0.8186 0.7379 0.0717 0.0161 0.1088 383 GLY B C 7223 O O . GLY B 301 ? 0.6752 0.8887 0.8189 0.0722 0.0162 0.1105 383 GLY B O 7224 N N . MSE B 302 ? 0.5660 0.7955 0.7002 0.0738 0.0152 0.1144 384 MSE B N 7225 C CA . MSE B 302 ? 0.5811 0.8263 0.7275 0.0766 0.0137 0.1233 384 MSE B CA 7226 C C . MSE B 302 ? 0.4926 0.7427 0.6429 0.0759 0.0096 0.1191 384 MSE B C 7227 O O . MSE B 302 ? 0.5605 0.8183 0.7230 0.0776 0.0084 0.1247 384 MSE B O 7228 C CB . MSE B 302 ? 0.7322 0.9924 0.8771 0.0785 0.0132 0.1298 384 MSE B CB 7229 C CG . MSE B 302 ? 0.8206 1.0976 0.9791 0.0814 0.0113 0.1402 384 MSE B CG 7230 SE SE . MSE B 302 ? 1.3645 1.6600 1.5214 0.0836 0.0108 0.1494 384 MSE B SE 7231 C CE . MSE B 302 ? 0.1699 0.4520 0.3206 0.0839 0.0176 0.1518 384 MSE B CE 7232 N N . LEU B 303 ? 0.3926 0.6382 0.5331 0.0734 0.0075 0.1095 385 LEU B N 7233 C CA . LEU B 303 ? 0.3938 0.6422 0.5373 0.0722 0.0039 0.1047 385 LEU B CA 7234 C C . LEU B 303 ? 0.3587 0.5963 0.5077 0.0714 0.0049 0.1021 385 LEU B C 7235 O O . LEU B 303 ? 0.4843 0.7287 0.6435 0.0724 0.0032 0.1049 385 LEU B O 7236 C CB . LEU B 303 ? 0.4738 0.7182 0.6055 0.0696 0.0018 0.0946 385 LEU B CB 7237 C CG . LEU B 303 ? 0.4117 0.6551 0.5453 0.0676 -0.0015 0.0881 385 LEU B CG 7238 C CD1 . LEU B 303 ? 0.2760 0.5370 0.4206 0.0690 -0.0051 0.0944 385 LEU B CD1 7239 C CD2 . LEU B 303 ? 0.4410 0.6779 0.5627 0.0650 -0.0029 0.0778 385 LEU B CD2 7240 N N . MSE B 304 ? 0.2696 0.4910 0.4121 0.0696 0.0076 0.0970 386 MSE B N 7241 C CA . MSE B 304 ? 0.3915 0.6020 0.5382 0.0684 0.0086 0.0937 386 MSE B CA 7242 C C . MSE B 304 ? 0.4351 0.6503 0.5950 0.0714 0.0105 0.1027 386 MSE B C 7243 O O . MSE B 304 ? 0.4938 0.7092 0.6615 0.0719 0.0100 0.1024 386 MSE B O 7244 C CB . MSE B 304 ? 0.5096 0.7026 0.6471 0.0656 0.0106 0.0870 386 MSE B CB 7245 C CG . MSE B 304 ? 0.5627 0.7494 0.6882 0.0627 0.0086 0.0772 386 MSE B CG 7246 SE SE . MSE B 304 ? 0.5007 0.6898 0.6274 0.0610 0.0043 0.0696 386 MSE B SE 7247 C CE . MSE B 304 ? 0.2802 0.4595 0.4153 0.0603 0.0058 0.0689 386 MSE B CE 7248 N N . ASP B 305 ? 0.4111 0.6305 0.5738 0.0735 0.0129 0.1107 387 ASP B N 7249 C CA . ASP B 305 ? 0.4037 0.6282 0.5798 0.0766 0.0148 0.1198 387 ASP B CA 7250 C C . ASP B 305 ? 0.3880 0.6288 0.5752 0.0792 0.0118 0.1253 387 ASP B C 7251 O O . ASP B 305 ? 0.4322 0.6759 0.6314 0.0815 0.0123 0.1295 387 ASP B O 7252 C CB . ASP B 305 ? 0.3860 0.6127 0.5629 0.0783 0.0177 0.1276 387 ASP B CB 7253 C CG . ASP B 305 ? 0.6631 0.8738 0.8335 0.0761 0.0212 0.1242 387 ASP B CG 7254 O OD1 . ASP B 305 ? 0.8086 1.0074 0.9696 0.0727 0.0206 0.1148 387 ASP B OD1 7255 O OD2 . ASP B 305 ? 0.7239 0.9341 0.8992 0.0775 0.0244 0.1312 387 ASP B OD2 7256 N N . GLY B 306 ? 0.2791 0.5308 0.4629 0.0790 0.0085 0.1253 388 GLY B N 7257 C CA . GLY B 306 ? 0.3006 0.5685 0.4946 0.0807 0.0048 0.1303 388 GLY B CA 7258 C C . GLY B 306 ? 0.3303 0.5958 0.5272 0.0796 0.0030 0.1246 388 GLY B C 7259 O O . GLY B 306 ? 0.4002 0.6756 0.6097 0.0817 0.0015 0.1296 388 GLY B O 7260 N N . LEU B 307 ? 0.2302 0.4829 0.4161 0.0762 0.0031 0.1142 389 LEU B N 7261 C CA . LEU B 307 ? 0.2686 0.5173 0.4561 0.0747 0.0017 0.1080 389 LEU B CA 7262 C C . LEU B 307 ? 0.3933 0.6354 0.5887 0.0762 0.0045 0.1095 389 LEU B C 7263 O O . LEU B 307 ? 0.3850 0.6308 0.5882 0.0769 0.0034 0.1093 389 LEU B O 7264 C CB . LEU B 307 ? 0.3469 0.5825 0.5205 0.0708 0.0012 0.0968 389 LEU B CB 7265 C CG . LEU B 307 ? 0.3640 0.6054 0.5297 0.0692 -0.0018 0.0934 389 LEU B CG 7266 C CD1 . LEU B 307 ? 0.3423 0.5687 0.4943 0.0658 -0.0014 0.0828 389 LEU B CD1 7267 C CD2 . LEU B 307 ? 0.2952 0.5492 0.4680 0.0691 -0.0059 0.0942 389 LEU B CD2 7268 N N . LYS B 308 ? 0.4728 0.7057 0.6666 0.0766 0.0081 0.1109 390 LYS B N 7269 C CA . LYS B 308 ? 0.4729 0.6989 0.6741 0.0780 0.0109 0.1120 390 LYS B CA 7270 C C . LYS B 308 ? 0.5330 0.7726 0.7503 0.0826 0.0110 0.1219 390 LYS B C 7271 O O . LYS B 308 ? 0.6333 0.8732 0.8595 0.0843 0.0118 0.1223 390 LYS B O 7272 C CB . LYS B 308 ? 0.3918 0.6048 0.5876 0.0769 0.0145 0.1114 390 LYS B CB 7273 C CG . LYS B 308 ? 0.4072 0.6117 0.6098 0.0777 0.0174 0.1114 390 LYS B CG 7274 C CD . LYS B 308 ? 0.5265 0.7184 0.7239 0.0760 0.0206 0.1108 390 LYS B CD 7275 C CE . LYS B 308 ? 0.6649 0.8489 0.8697 0.0767 0.0234 0.1108 390 LYS B CE 7276 N NZ . LYS B 308 ? 0.7211 0.9157 0.9415 0.0817 0.0248 0.1199 390 LYS B NZ 7277 N N . ASP B 309 ? 0.4828 0.7343 0.7042 0.0847 0.0102 0.1300 391 ASP B N 7278 C CA . ASP B 309 ? 0.5050 0.7707 0.7425 0.0892 0.0098 0.1401 391 ASP B CA 7279 C C . ASP B 309 ? 0.5133 0.7917 0.7585 0.0899 0.0060 0.1409 391 ASP B C 7280 O O . ASP B 309 ? 0.5988 0.8882 0.8587 0.0937 0.0054 0.1480 391 ASP B O 7281 C CB . ASP B 309 ? 0.6736 0.9488 0.9133 0.0909 0.0095 0.1488 391 ASP B CB 7282 C CG . ASP B 309 ? 0.8634 1.1277 1.0988 0.0908 0.0137 0.1500 391 ASP B CG 7283 O OD1 . ASP B 309 ? 0.9219 1.1734 1.1574 0.0904 0.0168 0.1464 391 ASP B OD1 7284 O OD2 . ASP B 309 ? 0.9037 1.1728 1.1359 0.0910 0.0138 0.1546 391 ASP B OD2 7285 N N . LEU B 310 ? 0.3915 0.6687 0.6273 0.0865 0.0033 0.1337 392 LEU B N 7286 C CA . LEU B 310 ? 0.3400 0.6285 0.5823 0.0865 -0.0004 0.1338 392 LEU B CA 7287 C C . LEU B 310 ? 0.3673 0.6464 0.6085 0.0851 0.0006 0.1262 392 LEU B C 7288 O O . LEU B 310 ? 0.3272 0.6142 0.5739 0.0849 -0.0019 0.1256 392 LEU B O 7289 C CB . LEU B 310 ? 0.2718 0.5666 0.5061 0.0835 -0.0044 0.1311 392 LEU B CB 7290 C CG . LEU B 310 ? 0.2623 0.5752 0.5038 0.0851 -0.0079 0.1402 392 LEU B CG 7291 C CD1 . LEU B 310 ? 0.1875 0.5008 0.4298 0.0874 -0.0055 0.1469 392 LEU B CD1 7292 C CD2 . LEU B 310 ? 0.3010 0.6188 0.5338 0.0818 -0.0120 0.1359 392 LEU B CD2 7293 N N . GLY B 311 ? 0.4434 0.7062 0.6777 0.0840 0.0041 0.1207 393 GLY B N 7294 C CA . GLY B 311 ? 0.5300 0.7830 0.7623 0.0825 0.0051 0.1133 393 GLY B CA 7295 C C . GLY B 311 ? 0.5517 0.8005 0.7735 0.0783 0.0025 0.1047 393 GLY B C 7296 O O . GLY B 311 ? 0.5446 0.7940 0.7690 0.0776 0.0015 0.1011 393 GLY B O 7297 N N . LEU B 312 ? 0.5539 0.7986 0.7641 0.0756 0.0014 0.1013 394 LEU B N 7298 C CA . LEU B 312 ? 0.4200 0.6610 0.6204 0.0718 -0.0013 0.0931 394 LEU B CA 7299 C C . LEU B 312 ? 0.3729 0.5969 0.5587 0.0685 0.0001 0.0847 394 LEU B C 7300 O O . LEU B 312 ? 0.3274 0.5472 0.5043 0.0655 -0.0020 0.0777 394 LEU B O 7301 C CB . LEU B 312 ? 0.2920 0.5472 0.4934 0.0718 -0.0050 0.0965 394 LEU B CB 7302 C CG . LEU B 312 ? 0.3396 0.6122 0.5548 0.0737 -0.0078 0.1030 394 LEU B CG 7303 C CD1 . LEU B 312 ? 0.3769 0.6647 0.5947 0.0742 -0.0112 0.1090 394 LEU B CD1 7304 C CD2 . LEU B 312 ? 0.3250 0.5964 0.5398 0.0713 -0.0097 0.0968 394 LEU B CD2 7305 N N . ASP B 313 ? 0.3429 0.5576 0.5271 0.0691 0.0033 0.0857 395 ASP B N 7306 C CA . ASP B 313 ? 0.3743 0.5735 0.5459 0.0659 0.0046 0.0787 395 ASP B CA 7307 C C . ASP B 313 ? 0.4746 0.6621 0.6407 0.0627 0.0039 0.0691 395 ASP B C 7308 O O . ASP B 313 ? 0.4865 0.6626 0.6418 0.0594 0.0035 0.0619 395 ASP B O 7309 C CB . ASP B 313 ? 0.3958 0.5885 0.5687 0.0671 0.0082 0.0828 395 ASP B CB 7310 C CG . ASP B 313 ? 0.5666 0.7581 0.7497 0.0690 0.0103 0.0855 395 ASP B CG 7311 O OD1 . ASP B 313 ? 0.6527 0.8539 0.8451 0.0712 0.0092 0.0881 395 ASP B OD1 7312 O OD2 . ASP B 313 ? 0.6415 0.8227 0.8238 0.0685 0.0130 0.0851 395 ASP B OD2 7313 N N . LYS B 314 ? 0.4391 0.6301 0.6130 0.0636 0.0036 0.0694 396 LYS B N 7314 C CA . LYS B 314 ? 0.4226 0.6046 0.5924 0.0608 0.0027 0.0611 396 LYS B CA 7315 C C . LYS B 314 ? 0.3748 0.5669 0.5487 0.0608 -0.0001 0.0604 396 LYS B C 7316 O O . LYS B 314 ? 0.4006 0.5906 0.5765 0.0599 -0.0005 0.0568 396 LYS B O 7317 C CB . LYS B 314 ? 0.4435 0.6196 0.6184 0.0616 0.0052 0.0611 396 LYS B CB 7318 C CG . LYS B 314 ? 0.4979 0.6632 0.6694 0.0610 0.0079 0.0615 396 LYS B CG 7319 C CD . LYS B 314 ? 0.5739 0.7309 0.7477 0.0604 0.0097 0.0585 396 LYS B CD 7320 C CE . LYS B 314 ? 0.7205 0.8679 0.8929 0.0599 0.0125 0.0600 396 LYS B CE 7321 N NZ . LYS B 314 ? 0.7554 0.8943 0.9294 0.0588 0.0140 0.0567 396 LYS B NZ 7322 N N . CYS B 315 ? 0.3358 0.5394 0.5112 0.0616 -0.0022 0.0643 397 CYS B N 7323 C CA . CYS B 315 ? 0.3454 0.5600 0.5256 0.0614 -0.0052 0.0646 397 CYS B CA 7324 C C . CYS B 315 ? 0.4565 0.6748 0.6301 0.0597 -0.0080 0.0628 397 CYS B C 7325 O O . CYS B 315 ? 0.4561 0.6870 0.6350 0.0598 -0.0109 0.0653 397 CYS B O 7326 C CB . CYS B 315 ? 0.2258 0.4567 0.4206 0.0652 -0.0054 0.0742 397 CYS B CB 7327 S SG . CYS B 315 ? 0.9113 1.1561 1.1150 0.0648 -0.0089 0.0753 397 CYS B SG 7328 N N . LEU B 316 ? 0.4840 0.6922 0.6468 0.0582 -0.0071 0.0586 398 LEU B N 7329 C CA . LEU B 316 ? 0.3486 0.5598 0.5047 0.0569 -0.0093 0.0563 398 LEU B CA 7330 C C . LEU B 316 ? 0.4002 0.5958 0.5438 0.0536 -0.0091 0.0466 398 LEU B C 7331 O O . LEU B 316 ? 0.4047 0.5879 0.5430 0.0528 -0.0068 0.0439 398 LEU B O 7332 C CB . LEU B 316 ? 0.2330 0.4530 0.3898 0.0593 -0.0087 0.0634 398 LEU B CB 7333 C CG . LEU B 316 ? 0.1944 0.4200 0.3447 0.0583 -0.0110 0.0618 398 LEU B CG 7334 C CD1 . LEU B 316 ? 0.1425 0.3827 0.3001 0.0582 -0.0150 0.0641 398 LEU B CD1 7335 C CD2 . LEU B 316 ? 0.1181 0.3489 0.2667 0.0605 -0.0096 0.0678 398 LEU B CD2 7336 N N . ASN B 317 ? 0.5076 0.7040 0.6472 0.0516 -0.0117 0.0416 399 ASN B N 7337 C CA . ASN B 317 ? 0.4783 0.6614 0.6065 0.0487 -0.0117 0.0331 399 ASN B CA 7338 C C . ASN B 317 ? 0.3309 0.5178 0.4522 0.0494 -0.0117 0.0339 399 ASN B C 7339 O O . ASN B 317 ? 0.2694 0.4684 0.3922 0.0501 -0.0140 0.0359 399 ASN B O 7340 C CB . ASN B 317 ? 0.4725 0.6535 0.6002 0.0462 -0.0141 0.0272 399 ASN B CB 7341 C CG . ASN B 317 ? 0.5161 0.6899 0.6479 0.0449 -0.0136 0.0247 399 ASN B CG 7342 O OD1 . ASN B 317 ? 0.0789 0.2429 0.2093 0.0447 -0.0115 0.0234 399 ASN B OD1 7343 N ND2 . ASN B 317 ? 0.6093 0.7887 0.7464 0.0441 -0.0158 0.0240 399 ASN B ND2 7344 N N . LEU B 318 ? 0.2356 0.4128 0.3496 0.0492 -0.0094 0.0324 400 LEU B N 7345 C CA . LEU B 318 ? 0.2025 0.3831 0.3092 0.0502 -0.0089 0.0332 400 LEU B CA 7346 C C . LEU B 318 ? 0.2558 0.4252 0.3508 0.0477 -0.0090 0.0246 400 LEU B C 7347 O O . LEU B 318 ? 0.3710 0.5260 0.4621 0.0454 -0.0081 0.0196 400 LEU B O 7348 C CB . LEU B 318 ? 0.1459 0.3260 0.2532 0.0522 -0.0060 0.0392 400 LEU B CB 7349 C CG . LEU B 318 ? 0.0926 0.2763 0.1923 0.0535 -0.0050 0.0408 400 LEU B CG 7350 C CD1 . LEU B 318 ? 0.1365 0.3374 0.2386 0.0553 -0.0071 0.0447 400 LEU B CD1 7351 C CD2 . LEU B 318 ? 0.3099 0.4920 0.4113 0.0552 -0.0019 0.0472 400 LEU B CD2 7352 N N . ILE B 319 ? 0.2748 0.4518 0.3645 0.0483 -0.0103 0.0230 401 ILE B N 7353 C CA . ILE B 319 ? 0.3119 0.4802 0.3893 0.0467 -0.0102 0.0151 401 ILE B CA 7354 C C . ILE B 319 ? 0.3214 0.4959 0.3921 0.0489 -0.0090 0.0170 401 ILE B C 7355 O O . ILE B 319 ? 0.3584 0.5459 0.4287 0.0505 -0.0102 0.0185 401 ILE B O 7356 C CB . ILE B 319 ? 0.2261 0.3969 0.3015 0.0453 -0.0127 0.0093 401 ILE B CB 7357 C CG1 . ILE B 319 ? 0.2101 0.3760 0.2927 0.0433 -0.0138 0.0083 401 ILE B CG1 7358 C CG2 . ILE B 319 ? 0.2709 0.4323 0.3326 0.0441 -0.0123 0.0002 401 ILE B CG2 7359 C CD1 . ILE B 319 ? 0.2646 0.4316 0.3457 0.0417 -0.0160 0.0029 401 ILE B CD1 7360 N N . LEU B 320 ? 0.2152 0.3808 0.2813 0.0488 -0.0067 0.0172 402 LEU B N 7361 C CA . LEU B 320 ? 0.2192 0.3896 0.2785 0.0509 -0.0052 0.0194 402 LEU B CA 7362 C C . LEU B 320 ? 0.2978 0.4626 0.3445 0.0499 -0.0058 0.0103 402 LEU B C 7363 O O . LEU B 320 ? 0.2775 0.4284 0.3188 0.0475 -0.0055 0.0049 402 LEU B O 7364 C CB . LEU B 320 ? 0.2202 0.3844 0.2816 0.0513 -0.0026 0.0244 402 LEU B CB 7365 C CG . LEU B 320 ? 0.2734 0.4441 0.3304 0.0539 -0.0005 0.0294 402 LEU B CG 7366 C CD1 . LEU B 320 ? 0.4242 0.6131 0.4855 0.0570 -0.0008 0.0366 402 LEU B CD1 7367 C CD2 . LEU B 320 ? 0.2415 0.4047 0.3021 0.0539 0.0022 0.0346 402 LEU B CD2 7368 N N . ILE B 321 ? 0.3798 0.5560 0.4222 0.0516 -0.0068 0.0085 403 ILE B N 7369 C CA . ILE B 321 ? 0.3236 0.4958 0.3543 0.0510 -0.0076 -0.0014 403 ILE B CA 7370 C C . ILE B 321 ? 0.2991 0.4816 0.3223 0.0540 -0.0067 -0.0009 403 ILE B C 7371 O O . ILE B 321 ? 0.3422 0.5366 0.3700 0.0564 -0.0056 0.0078 403 ILE B O 7372 C CB . ILE B 321 ? 0.0825 0.2578 0.1150 0.0499 -0.0100 -0.0067 403 ILE B CB 7373 C CG1 . ILE B 321 ? 0.2171 0.3806 0.2386 0.0481 -0.0108 -0.0189 403 ILE B CG1 7374 C CG2 . ILE B 321 ? 0.1142 0.3080 0.1502 0.0523 -0.0112 -0.0034 403 ILE B CG2 7375 C CD1 . ILE B 321 ? 0.2624 0.4276 0.2862 0.0471 -0.0128 -0.0242 403 ILE B CD1 7376 N N . SER B 322 ? 0.2092 0.3876 0.2209 0.0539 -0.0072 -0.0102 404 SER B N 7377 C CA . SER B 322 ? 0.2700 0.4593 0.2739 0.0570 -0.0065 -0.0113 404 SER B CA 7378 C C . SER B 322 ? 0.3605 0.5502 0.3563 0.0571 -0.0081 -0.0229 404 SER B C 7379 O O . SER B 322 ? 0.3009 0.4794 0.2953 0.0546 -0.0095 -0.0307 404 SER B O 7380 C CB . SER B 322 ? 0.2467 0.4305 0.2439 0.0578 -0.0048 -0.0098 404 SER B CB 7381 O OG . SER B 322 ? 0.4334 0.6016 0.4236 0.0551 -0.0061 -0.0185 404 SER B OG 7382 N N . ASP B 323 ? 0.5263 0.7291 0.5172 0.0602 -0.0076 -0.0242 405 ASP B N 7383 C CA . ASP B 323 ? 0.4447 0.6477 0.4328 0.0600 -0.0092 -0.0341 405 ASP B CA 7384 C C . ASP B 323 ? 0.4271 0.6085 0.4147 0.0562 -0.0103 -0.0393 405 ASP B C 7385 O O . ASP B 323 ? 0.3133 0.4820 0.3031 0.0530 -0.0119 -0.0456 405 ASP B O 7386 C CB . ASP B 323 ? 0.3149 0.5411 0.3030 0.0640 -0.0086 -0.0318 405 ASP B CB 7387 C CG . ASP B 323 ? 0.4177 0.6528 0.4023 0.0668 -0.0064 -0.0245 405 ASP B CG 7388 O OD1 . ASP B 323 ? 0.4826 0.7114 0.4678 0.0663 -0.0051 -0.0175 405 ASP B OD1 7389 O OD2 . ASP B 323 ? 0.3023 0.5494 0.2861 0.0690 -0.0063 -0.0251 405 ASP B OD2 7390 N N . HIS B 324 ? 0.3971 0.5755 0.3822 0.0565 -0.0094 -0.0353 406 HIS B N 7391 C CA . HIS B 324 ? 0.3841 0.5465 0.3685 0.0533 -0.0104 -0.0386 406 HIS B CA 7392 C C . HIS B 324 ? 0.3488 0.5088 0.3312 0.0538 -0.0093 -0.0333 406 HIS B C 7393 O O . HIS B 324 ? 0.2360 0.4036 0.2177 0.0562 -0.0076 -0.0269 406 HIS B O 7394 C CB . HIS B 324 ? 0.3929 0.5622 0.3763 0.0549 -0.0108 -0.0419 406 HIS B CB 7395 C CG . HIS B 324 ? 0.3801 0.5719 0.3612 0.0603 -0.0092 -0.0373 406 HIS B CG 7396 N ND1 . HIS B 324 ? 0.3417 0.5396 0.3203 0.0627 -0.0075 -0.0302 406 HIS B ND1 7397 C CD2 . HIS B 324 ? 0.4339 0.6451 0.4156 0.0638 -0.0089 -0.0379 406 HIS B CD2 7398 C CE1 . HIS B 324 ? 0.4310 0.6497 0.4086 0.0670 -0.0060 -0.0260 406 HIS B CE1 7399 N NE2 . HIS B 324 ? 0.4533 0.6816 0.4329 0.0677 -0.0070 -0.0307 406 HIS B NE2 7400 N N . GLY B 325 ? 0.3953 0.5459 0.3771 0.0518 -0.0102 -0.0354 407 GLY B N 7401 C CA . GLY B 325 ? 0.3837 0.5336 0.3639 0.0528 -0.0093 -0.0310 407 GLY B CA 7402 C C . GLY B 325 ? 0.4147 0.5769 0.3918 0.0569 -0.0084 -0.0282 407 GLY B C 7403 O O . GLY B 325 ? 0.4915 0.6668 0.4674 0.0598 -0.0078 -0.0277 407 GLY B O 7404 N N . MSE B 326 ? 0.3909 0.5504 0.3670 0.0573 -0.0083 -0.0263 408 MSE B N 7405 C CA . MSE B 326 ? 0.3881 0.5592 0.3613 0.0615 -0.0073 -0.0231 408 MSE B CA 7406 C C . MSE B 326 ? 0.3665 0.5319 0.3397 0.0610 -0.0085 -0.0248 408 MSE B C 7407 O O . MSE B 326 ? 0.3656 0.5231 0.3405 0.0594 -0.0085 -0.0238 408 MSE B O 7408 C CB . MSE B 326 ? 0.5311 0.7145 0.5030 0.0657 -0.0040 -0.0130 408 MSE B CB 7409 C CG . MSE B 326 ? 0.6136 0.8101 0.5828 0.0701 -0.0026 -0.0085 408 MSE B CG 7410 SE SE . MSE B 326 ? 0.7300 0.9411 0.6980 0.0720 -0.0032 -0.0124 408 MSE B SE 7411 C CE . MSE B 326 ? 0.4359 0.6592 0.4061 0.0734 -0.0006 -0.0051 408 MSE B CE 7412 N N . GLU B 327 ? 0.4088 0.5800 0.3805 0.0628 -0.0096 -0.0274 409 GLU B N 7413 C CA . GLU B 327 ? 0.2872 0.4569 0.2594 0.0635 -0.0109 -0.0293 409 GLU B CA 7414 C C . GLU B 327 ? 0.3079 0.4927 0.2768 0.0694 -0.0097 -0.0250 409 GLU B C 7415 O O . GLU B 327 ? 0.3673 0.5619 0.3340 0.0716 -0.0092 -0.0240 409 GLU B O 7416 C CB . GLU B 327 ? 0.3185 0.4798 0.2934 0.0598 -0.0140 -0.0375 409 GLU B CB 7417 C CG . GLU B 327 ? 0.4157 0.5772 0.3923 0.0608 -0.0155 -0.0401 409 GLU B CG 7418 C CD . GLU B 327 ? 0.3792 0.5342 0.3577 0.0596 -0.0147 -0.0380 409 GLU B CD 7419 O OE1 . GLU B 327 ? 0.2436 0.4072 0.2202 0.0643 -0.0130 -0.0333 409 GLU B OE1 7420 O OE2 . GLU B 327 ? 0.4586 0.6000 0.4407 0.0541 -0.0154 -0.0405 409 GLU B OE2 7421 N N . GLN B 328 ? 0.3195 0.5070 0.2883 0.0723 -0.0090 -0.0221 410 GLN B N 7422 C CA . GLN B 328 ? 0.3805 0.5824 0.3464 0.0785 -0.0074 -0.0171 410 GLN B CA 7423 C C . GLN B 328 ? 0.4007 0.6099 0.3665 0.0806 -0.0103 -0.0237 410 GLN B C 7424 O O . GLN B 328 ? 0.2917 0.4980 0.2599 0.0802 -0.0123 -0.0294 410 GLN B O 7425 C CB . GLN B 328 ? 0.3591 0.5621 0.3251 0.0816 -0.0049 -0.0106 410 GLN B CB 7426 C CG . GLN B 328 ? 0.3353 0.5531 0.2988 0.0886 -0.0028 -0.0044 410 GLN B CG 7427 C CD . GLN B 328 ? 0.4817 0.7089 0.4433 0.0905 -0.0007 0.0023 410 GLN B CD 7428 O OE1 . GLN B 328 ? 0.5972 0.8219 0.5595 0.0894 0.0021 0.0096 410 GLN B OE1 7429 N NE2 . GLN B 328 ? 0.4370 0.6760 0.3967 0.0935 -0.0020 -0.0001 410 GLN B NE2 7430 N N . GLY B 329 ? 0.4823 0.7022 0.4458 0.0829 -0.0103 -0.0231 411 GLY B N 7431 C CA . GLY B 329 ? 0.5696 0.7992 0.5333 0.0858 -0.0130 -0.0289 411 GLY B CA 7432 C C . GLY B 329 ? 0.7273 0.9721 0.6896 0.0934 -0.0117 -0.0250 411 GLY B C 7433 O O . GLY B 329 ? 0.7409 0.9893 0.7013 0.0963 -0.0082 -0.0160 411 GLY B O 7434 N N . SER B 330 ? 0.7934 1.0484 0.7570 0.0973 -0.0142 -0.0316 412 SER B N 7435 C CA . SER B 330 ? 0.7479 1.0205 0.7097 0.1062 -0.0126 -0.0290 412 SER B CA 7436 C C . SER B 330 ? 0.7441 1.0356 0.7063 0.1120 -0.0147 -0.0351 412 SER B C 7437 O O . SER B 330 ? 0.8040 1.0929 0.7695 0.1090 -0.0183 -0.0438 412 SER B O 7438 C CB . SER B 330 ? 0.7642 1.0330 0.7275 0.1075 -0.0125 -0.0317 412 SER B CB 7439 O OG . SER B 330 ? 0.7292 1.0161 0.6900 0.1171 -0.0102 -0.0286 412 SER B OG 7440 N N . CYS B 331 ? 0.7002 1.0119 0.6594 0.1208 -0.0122 -0.0301 413 CYS B N 7441 C CA . CYS B 331 ? 0.5738 0.9090 0.5327 0.1288 -0.0135 -0.0362 413 CYS B CA 7442 C C . CYS B 331 ? 0.5689 0.9047 0.5310 0.1313 -0.0131 -0.0467 413 CYS B C 7443 O O . CYS B 331 ? 0.5669 0.9096 0.5316 0.1330 -0.0133 -0.0565 413 CYS B O 7444 C CB . CYS B 331 ? 0.4598 0.8169 0.4144 0.1380 -0.0094 -0.0272 413 CYS B CB 7445 S SG . CYS B 331 ? 1.0876 1.4420 1.0420 0.1337 -0.0073 -0.0153 413 CYS B SG 7446 N N . LYS B 332 ? 0.5380 0.8572 0.5040 0.1284 -0.0077 -0.0445 414 LYS B N 7447 C CA . LYS B 332 ? 0.5207 0.8295 0.4941 0.1271 -0.0022 -0.0530 414 LYS B CA 7448 C C . LYS B 332 ? 0.6146 0.9160 0.5905 0.1217 -0.0112 -0.0628 414 LYS B C 7449 O O . LYS B 332 ? 0.7184 1.0163 0.6998 0.1216 -0.0087 -0.0720 414 LYS B O 7450 C CB . LYS B 332 ? 0.3725 0.6672 0.3516 0.1254 0.0060 -0.0469 414 LYS B CB 7451 N N . LYS B 333 ? 0.6647 0.9631 0.6355 0.1172 -0.0207 -0.0610 415 LYS B N 7452 C CA . LYS B 333 ? 0.6211 0.9018 0.5977 0.1083 -0.0244 -0.0681 415 LYS B CA 7453 C C . LYS B 333 ? 0.5416 0.8212 0.5198 0.1051 -0.0264 -0.0701 415 LYS B C 7454 O O . LYS B 333 ? 0.4468 0.7085 0.4252 0.0969 -0.0264 -0.0662 415 LYS B O 7455 C CB . LYS B 333 ? 0.5325 0.7901 0.5099 0.0997 -0.0233 -0.0630 415 LYS B CB 7456 C CG . LYS B 333 ? 0.5304 0.7890 0.5068 0.1026 -0.0212 -0.0604 415 LYS B CG 7457 C CD . LYS B 333 ? 0.4100 0.6468 0.3892 0.0939 -0.0210 -0.0587 415 LYS B CD 7458 C CE . LYS B 333 ? 0.3102 0.5399 0.2956 0.0943 -0.0148 -0.0546 415 LYS B CE 7459 N NZ . LYS B 333 ? 0.2732 0.4856 0.2616 0.0866 -0.0164 -0.0556 415 LYS B NZ 7460 N N . TYR B 334 ? 0.5455 0.8459 0.5243 0.1125 -0.0278 -0.0766 416 TYR B N 7461 C CA . TYR B 334 ? 0.5554 0.8586 0.5367 0.1109 -0.0297 -0.0793 416 TYR B CA 7462 C C . TYR B 334 ? 0.6291 0.9481 0.6148 0.1168 -0.0325 -0.0923 416 TYR B C 7463 O O . TYR B 334 ? 0.7482 1.0834 0.7319 0.1252 -0.0308 -0.0980 416 TYR B O 7464 C CB . TYR B 334 ? 0.4057 0.7249 0.3824 0.1158 -0.0275 -0.0728 416 TYR B CB 7465 C CG . TYR B 334 ? 0.3739 0.6837 0.3527 0.1091 -0.0283 -0.0692 416 TYR B CG 7466 C CD1 . TYR B 334 ? 0.3463 0.6435 0.3209 0.1037 -0.0262 -0.0587 416 TYR B CD1 7467 C CD2 . TYR B 334 ? 0.4262 0.7410 0.4110 0.1089 -0.0308 -0.0768 416 TYR B CD2 7468 C CE1 . TYR B 334 ? 0.3338 0.6226 0.3090 0.0977 -0.0269 -0.0558 416 TYR B CE1 7469 C CE2 . TYR B 334 ? 0.4120 0.7201 0.4003 0.1036 -0.0312 -0.0731 416 TYR B CE2 7470 C CZ . TYR B 334 ? 0.4405 0.7347 0.4238 0.0975 -0.0297 -0.0623 416 TYR B CZ 7471 O OH . TYR B 334 ? 0.5856 0.8736 0.5727 0.0924 -0.0302 -0.0587 416 TYR B OH 7472 N N . VAL B 335 ? 0.5492 0.8607 0.5405 0.1121 -0.0349 -0.0965 417 VAL B N 7473 C CA . VAL B 335 ? 0.4950 0.8206 0.4911 0.1177 -0.0377 -0.1098 417 VAL B CA 7474 C C . VAL B 335 ? 0.4969 0.8449 0.4923 0.1245 -0.0382 -0.1153 417 VAL B C 7475 O O . VAL B 335 ? 0.4285 0.7691 0.4261 0.1194 -0.0377 -0.1103 417 VAL B O 7476 C CB . VAL B 335 ? 0.5582 0.8607 0.5622 0.1086 -0.0400 -0.1121 417 VAL B CB 7477 C CG1 . VAL B 335 ? 0.6056 0.9236 0.6149 0.1150 -0.0430 -0.1264 417 VAL B CG1 7478 C CG2 . VAL B 335 ? 0.5419 0.8272 0.5464 0.1031 -0.0395 -0.1093 417 VAL B CG2 7479 N N . TYR B 336 ? 0.6211 0.9749 0.6056 0.1306 -0.0305 -0.1237 418 TYR B N 7480 C CA . TYR B 336 ? 0.6974 1.0542 0.6678 0.1324 -0.0249 -0.1295 418 TYR B CA 7481 C C . TYR B 336 ? 0.6845 1.0270 0.6459 0.1312 -0.0220 -0.1427 418 TYR B C 7482 O O . TYR B 336 ? 0.6210 0.9501 0.5741 0.1318 -0.0148 -0.1483 418 TYR B O 7483 C CB . TYR B 336 ? 0.7548 1.1111 0.7038 0.1349 -0.0135 -0.1265 418 TYR B CB 7484 C CG . TYR B 336 ? 0.6503 1.0190 0.6067 0.1365 -0.0155 -0.1129 418 TYR B CG 7485 C CD1 . TYR B 336 ? 0.5188 0.9038 0.4826 0.1367 -0.0218 -0.1058 418 TYR B CD1 7486 C CD2 . TYR B 336 ? 0.6922 1.0552 0.6479 0.1377 -0.0100 -0.1071 418 TYR B CD2 7487 C CE1 . TYR B 336 ? 0.5213 0.9167 0.4905 0.1384 -0.0241 -0.0930 418 TYR B CE1 7488 C CE2 . TYR B 336 ? 0.7014 1.0724 0.6606 0.1388 -0.0117 -0.0945 418 TYR B CE2 7489 C CZ . TYR B 336 ? 0.6148 1.0018 0.5797 0.1391 -0.0195 -0.0874 418 TYR B CZ 7490 O OH . TYR B 336 ? 0.5576 0.9511 0.5238 0.1403 -0.0215 -0.0745 418 TYR B OH 7491 N N . LEU B 337 ? 0.7275 1.0717 0.6901 0.1293 -0.0270 -0.1474 419 LEU B N 7492 C CA . LEU B 337 ? 0.8194 1.1481 0.7726 0.1274 -0.0263 -0.1595 419 LEU B CA 7493 C C . LEU B 337 ? 0.9465 1.2585 0.8647 0.1271 -0.0161 -0.1684 419 LEU B C 7494 O O . LEU B 337 ? 0.9765 1.2727 0.8854 0.1265 -0.0134 -0.1784 419 LEU B O 7495 C CB . LEU B 337 ? 0.8091 1.1408 0.7677 0.1248 -0.0333 -0.1619 419 LEU B CB 7496 C CG . LEU B 337 ? 0.7533 1.0977 0.7478 0.1252 -0.0423 -0.1568 419 LEU B CG 7497 C CD1 . LEU B 337 ? 0.6992 1.0452 0.6961 0.1231 -0.0450 -0.1588 419 LEU B CD1 7498 C CD2 . LEU B 337 ? 0.7089 1.0447 0.7157 0.1244 -0.0453 -0.1615 419 LEU B CD2 7499 N N . ASN B 338 ? 0.9630 1.2781 0.8608 0.1273 -0.0106 -0.1645 420 ASN B N 7500 C CA . ASN B 338 ? 0.9306 1.2299 0.7917 0.1261 -0.0014 -0.1725 420 ASN B CA 7501 C C . ASN B 338 ? 0.9323 1.2204 0.7905 0.1295 0.0088 -0.1776 420 ASN B C 7502 O O . ASN B 338 ? 0.9730 1.2443 0.8051 0.1287 0.0157 -0.1878 420 ASN B O 7503 C CB . ASN B 338 ? 0.8081 1.1146 0.6489 0.1252 0.0021 -0.1658 420 ASN B CB 7504 C CG . ASN B 338 ? 0.8015 1.1234 0.6610 0.1297 0.0057 -0.1537 420 ASN B CG 7505 O OD1 . ASN B 338 ? 0.7919 1.1116 0.6631 0.1331 0.0112 -0.1529 420 ASN B OD1 7506 N ND2 . ASN B 338 ? 0.8189 1.1554 0.6798 0.1291 0.0023 -0.1438 420 ASN B ND2 7507 N N . LYS B 339 ? 0.8572 1.1534 0.7407 0.1327 0.0097 -0.1703 421 LYS B N 7508 C CA . LYS B 339 ? 0.8641 1.1499 0.7469 0.1354 0.0196 -0.1738 421 LYS B CA 7509 C C . LYS B 339 ? 0.9637 1.2351 0.8485 0.1347 0.0184 -0.1848 421 LYS B C 7510 O O . LYS B 339 ? 1.0018 1.2604 0.8772 0.1367 0.0282 -0.1914 421 LYS B O 7511 C CB . LYS B 339 ? 0.7849 1.0799 0.6924 0.1371 0.0189 -0.1630 421 LYS B CB 7512 N N . TYR B 340 ? 0.9700 1.2441 0.8677 0.1319 0.0067 -0.1863 422 TYR B N 7513 C CA . TYR B 340 ? 0.9865 1.2481 0.8879 0.1309 0.0041 -0.1959 422 TYR B CA 7514 C C . TYR B 340 ? 0.9927 1.2423 0.8702 0.1279 0.0017 -0.2058 422 TYR B C 7515 O O . TYR B 340 ? 0.9893 1.2234 0.8591 0.1273 0.0027 -0.2158 422 TYR B O 7516 C CB . TYR B 340 ? 0.9373 1.2089 0.8724 0.1293 -0.0076 -0.1903 422 TYR B CB 7517 C CG . TYR B 340 ? 0.9321 1.2127 0.8865 0.1299 -0.0079 -0.1801 422 TYR B CG 7518 C CD1 . TYR B 340 ? 0.9855 1.2571 0.9456 0.1306 -0.0024 -0.1815 422 TYR B CD1 7519 C CD2 . TYR B 340 ? 0.8732 1.1693 0.8380 0.1293 -0.0136 -0.1690 422 TYR B CD2 7520 C CE1 . TYR B 340 ? 0.9712 1.2471 0.9446 0.1297 -0.0027 -0.1723 422 TYR B CE1 7521 C CE2 . TYR B 340 ? 0.8474 1.1473 0.8245 0.1286 -0.0145 -0.1600 422 TYR B CE2 7522 C CZ . TYR B 340 ? 0.9100 1.1988 0.8904 0.1284 -0.0088 -0.1618 422 TYR B CZ 7523 O OH . TYR B 340 ? 0.9012 1.1901 0.8902 0.1267 -0.0089 -0.1530 422 TYR B OH 7524 N N . LEU B 341 ? 0.9983 1.2538 0.8627 0.1252 -0.0020 -0.2027 423 LEU B N 7525 C CA . LEU B 341 ? 1.0804 1.3233 0.9196 0.1202 -0.0065 -0.2108 423 LEU B CA 7526 C C . LEU B 341 ? 1.2135 1.4458 1.0119 0.1180 0.0005 -0.2149 423 LEU B C 7527 O O . LEU B 341 ? 1.3281 1.5414 1.0966 0.1141 0.0005 -0.2253 423 LEU B O 7528 C CB . LEU B 341 ? 0.9975 1.2528 0.8513 0.1168 -0.0181 -0.2045 423 LEU B CB 7529 N N . GLY B 342 ? 1.1784 1.4229 0.9752 0.1201 0.0058 -0.2064 424 GLY B N 7530 C CA . GLY B 342 ? 1.1531 1.3909 0.9127 0.1178 0.0121 -0.2079 424 GLY B CA 7531 C C . GLY B 342 ? 1.1643 1.4119 0.9162 0.1128 0.0030 -0.2005 424 GLY B C 7532 O O . GLY B 342 ? 1.2085 1.4651 0.9815 0.1109 -0.0073 -0.1964 424 GLY B O 7533 N N . ASP B 343 ? 1.1102 1.3560 0.8316 0.1103 0.0071 -0.1984 425 ASP B N 7534 C CA . ASP B 343 ? 1.0955 1.3496 0.8063 0.1048 -0.0018 -0.1906 425 ASP B CA 7535 C C . ASP B 343 ? 1.1286 1.3683 0.8188 0.0963 -0.0134 -0.1973 425 ASP B C 7536 O O . ASP B 343 ? 1.1704 1.3975 0.8219 0.0897 -0.0160 -0.2004 425 ASP B O 7537 C CB . ASP B 343 ? 1.1393 1.3938 0.8204 0.1038 0.0053 -0.1865 425 ASP B CB 7538 C CG . ASP B 343 ? 1.0955 1.3691 0.8003 0.1106 0.0132 -0.1753 425 ASP B CG 7539 O OD1 . ASP B 343 ? 1.0429 1.3133 0.7505 0.1159 0.0250 -0.1779 425 ASP B OD1 7540 O OD2 . ASP B 343 ? 1.0235 1.3150 0.7444 0.1105 0.0074 -0.1635 425 ASP B OD2 7541 N N . VAL B 344 ? 1.0896 1.3305 0.8050 0.0960 -0.0211 -0.1991 426 VAL B N 7542 C CA . VAL B 344 ? 1.0712 1.2979 0.7700 0.0876 -0.0326 -0.2050 426 VAL B CA 7543 C C . VAL B 344 ? 1.0974 1.3365 0.8017 0.0821 -0.0441 -0.1945 426 VAL B C 7544 O O . VAL B 344 ? 1.0040 1.2646 0.7365 0.0865 -0.0432 -0.1836 426 VAL B O 7545 C CB . VAL B 344 ? 0.8664 1.0867 0.5881 0.0893 -0.0352 -0.2121 426 VAL B CB 7546 C CG1 . VAL B 344 ? 0.6586 0.8629 0.3697 0.0933 -0.0251 -0.2233 426 VAL B CG1 7547 C CG2 . VAL B 344 ? 0.8423 1.0845 0.6119 0.0955 -0.0359 -0.2032 426 VAL B CG2 7548 N N . ASN B 345 ? 1.1825 1.4076 0.8596 0.0723 -0.0552 -0.1977 427 ASN B N 7549 C CA . ASN B 345 ? 1.2517 1.4861 0.9307 0.0658 -0.0672 -0.1876 427 ASN B CA 7550 C C . ASN B 345 ? 1.3337 1.5588 1.0171 0.0587 -0.0796 -0.1908 427 ASN B C 7551 O O . ASN B 345 ? 1.4454 1.6731 1.1247 0.0512 -0.0913 -0.1838 427 ASN B O 7552 C CB . ASN B 345 ? 1.3928 1.6207 1.0313 0.0589 -0.0714 -0.1845 427 ASN B CB 7553 C CG . ASN B 345 ? 1.5143 1.7534 1.1496 0.0654 -0.0597 -0.1789 427 ASN B CG 7554 O OD1 . ASN B 345 ? 1.5374 1.7960 1.1892 0.0676 -0.0601 -0.1666 427 ASN B OD1 7555 N ND2 . ASN B 345 ? 1.5596 1.7860 1.1736 0.0684 -0.0487 -0.1878 427 ASN B ND2 7556 N N . ASN B 346 ? 1.2499 1.4638 0.9419 0.0608 -0.0770 -0.2008 428 ASN B N 7557 C CA . ASN B 346 ? 1.1273 1.3312 0.8239 0.0543 -0.0878 -0.2043 428 ASN B CA 7558 C C . ASN B 346 ? 1.0654 1.2875 0.8075 0.0589 -0.0884 -0.1970 428 ASN B C 7559 O O . ASN B 346 ? 1.1153 1.3323 0.8656 0.0536 -0.0970 -0.1974 428 ASN B O 7560 C CB . ASN B 346 ? 1.0289 1.2104 0.7106 0.0537 -0.0854 -0.2185 428 ASN B CB 7561 C CG . ASN B 346 ? 0.9084 1.0953 0.6159 0.0652 -0.0723 -0.2226 428 ASN B CG 7562 O OD1 . ASN B 346 ? 0.8913 1.0930 0.6116 0.0728 -0.0628 -0.2174 428 ASN B OD1 7563 N ND2 . ASN B 346 ? 0.8010 0.9757 0.5162 0.0659 -0.0725 -0.2312 428 ASN B ND2 7564 N N . VAL B 347 ? 0.9576 1.2001 0.7283 0.0684 -0.0790 -0.1902 429 VAL B N 7565 C CA . VAL B 347 ? 0.8610 1.1209 0.6749 0.0739 -0.0777 -0.1836 429 VAL B CA 7566 C C . VAL B 347 ? 0.8009 1.0829 0.6311 0.0769 -0.0756 -0.1708 429 VAL B C 7567 O O . VAL B 347 ? 0.7706 1.0588 0.5889 0.0792 -0.0707 -0.1673 429 VAL B O 7568 C CB . VAL B 347 ? 0.8101 1.0735 0.6514 0.0837 -0.0684 -0.1884 429 VAL B CB 7569 C CG1 . VAL B 347 ? 0.8862 1.1287 0.7172 0.0809 -0.0711 -0.2000 429 VAL B CG1 7570 C CG2 . VAL B 347 ? 0.7354 1.0044 0.5726 0.0905 -0.0582 -0.1882 429 VAL B CG2 7571 N N . LYS B 348 ? 0.8805 1.1733 0.7370 0.0766 -0.0786 -0.1640 430 LYS B N 7572 C CA . LYS B 348 ? 0.9304 1.2434 0.8053 0.0798 -0.0756 -0.1520 430 LYS B CA 7573 C C . LYS B 348 ? 0.6700 0.9975 0.5863 0.0899 -0.0662 -0.1498 430 LYS B C 7574 O O . LYS B 348 ? 0.4210 0.7439 0.3545 0.0908 -0.0666 -0.1538 430 LYS B O 7575 C CB . LYS B 348 ? 0.3880 0.7006 0.2562 0.0704 -0.0864 -0.1445 430 LYS B CB 7576 N N . VAL B 349 ? 0.6330 0.9774 0.5644 0.0973 -0.0581 -0.1433 431 VAL B N 7577 C CA . VAL B 349 ? 0.5677 0.9260 0.5372 0.1071 -0.0494 -0.1411 431 VAL B CA 7578 C C . VAL B 349 ? 0.5933 0.9664 0.5777 0.1094 -0.0438 -0.1307 431 VAL B C 7579 O O . VAL B 349 ? 0.5837 0.9660 0.5596 0.1097 -0.0423 -0.1236 431 VAL B O 7580 C CB . VAL B 349 ? 0.4770 0.8411 0.4545 0.1145 -0.0448 -0.1427 431 VAL B CB 7581 C CG1 . VAL B 349 ? 0.4186 0.7885 0.4309 0.1196 -0.0401 -0.1362 431 VAL B CG1 7582 C CG2 . VAL B 349 ? 0.4852 0.8312 0.4458 0.1121 -0.0477 -0.1537 431 VAL B CG2 7583 N N . VAL B 350 ? 0.5702 0.9424 0.5729 0.1106 -0.0394 -0.1303 432 VAL B N 7584 C CA . VAL B 350 ? 0.5632 0.9339 0.5705 0.1091 -0.0321 -0.1201 432 VAL B CA 7585 C C . VAL B 350 ? 0.5632 0.8986 0.5726 0.1026 -0.0264 -0.1074 432 VAL B C 7586 O O . VAL B 350 ? 0.4854 0.7883 0.4996 0.0961 -0.0237 -0.1036 432 VAL B O 7587 C CB . VAL B 350 ? 0.4996 0.8590 0.5095 0.1046 -0.0319 -0.1205 432 VAL B CB 7588 C CG1 . VAL B 350 ? 0.3758 0.7293 0.3816 0.1002 -0.0274 -0.1091 432 VAL B CG1 7589 C CG2 . VAL B 350 ? 0.5437 0.9011 0.5406 0.0966 -0.0461 -0.1229 432 VAL B CG2 7590 N N . TYR B 351 ? 0.6824 1.0260 0.6880 0.1044 -0.0244 -0.1009 433 TYR B N 7591 C CA . TYR B 351 ? 0.7243 1.0401 0.7331 0.0993 -0.0203 -0.0905 433 TYR B CA 7592 C C . TYR B 351 ? 0.7471 1.0240 0.7511 0.0894 -0.0125 -0.0815 433 TYR B C 7593 O O . TYR B 351 ? 0.7390 1.0181 0.7370 0.0879 -0.0125 -0.0817 433 TYR B O 7594 C CB . TYR B 351 ? 0.7405 1.0769 0.7450 0.1042 -0.0204 -0.0862 433 TYR B CB 7595 C CG . TYR B 351 ? 0.7200 1.0659 0.7174 0.1038 -0.0164 -0.0794 433 TYR B CG 7596 C CD1 . TYR B 351 ? 0.6868 1.0698 0.6794 0.1095 -0.0195 -0.0843 433 TYR B CD1 7597 C CD2 . TYR B 351 ? 0.7084 1.0293 0.7020 0.0978 -0.0100 -0.0685 433 TYR B CD2 7598 C CE1 . TYR B 351 ? 0.6775 1.0745 0.6655 0.1091 -0.0173 -0.0763 433 TYR B CE1 7599 C CE2 . TYR B 351 ? 0.7784 1.1127 0.7650 0.0984 -0.0084 -0.0622 433 TYR B CE2 7600 C CZ . TYR B 351 ? 0.7645 1.1374 0.7508 0.1040 -0.0120 -0.0649 433 TYR B CZ 7601 O OH . TYR B 351 ? 0.8121 1.2018 0.7947 0.1044 -0.0105 -0.0564 433 TYR B OH 7602 N N . GLY B 352 ? 0.8417 1.1696 0.8369 0.1051 -0.0283 -0.0966 434 GLY B N 7603 C CA . GLY B 352 ? 0.8648 1.1745 0.8597 0.1003 -0.0270 -0.0913 434 GLY B CA 7604 C C . GLY B 352 ? 0.7590 0.9948 0.7815 0.0786 -0.0213 -0.0704 434 GLY B C 7605 O O . GLY B 352 ? 0.7953 1.0101 0.7734 0.0724 -0.0252 -0.0826 434 GLY B O 7606 N N . PRO B 353 ? 0.6112 0.8336 0.6327 0.0749 -0.0205 -0.0673 435 PRO B N 7607 C CA . PRO B 353 ? 0.4445 0.6542 0.4684 0.0721 -0.0217 -0.0699 435 PRO B CA 7608 C C . PRO B 353 ? 0.4467 0.6309 0.4339 0.0633 -0.0254 -0.0819 435 PRO B C 7609 O O . PRO B 353 ? 0.5313 0.7076 0.5229 0.0615 -0.0267 -0.0851 435 PRO B O 7610 C CB . PRO B 353 ? 0.3232 0.5218 0.3443 0.0687 -0.0201 -0.0644 435 PRO B CB 7611 C CG . PRO B 353 ? 0.3922 0.5758 0.3707 0.0623 -0.0203 -0.0661 435 PRO B CG 7612 C CD . PRO B 353 ? 0.5066 0.7259 0.5247 0.0731 -0.0184 -0.0609 435 PRO B CD 7613 N N . ALA B 354 ? 0.3510 0.5618 0.3799 0.0711 -0.0232 -0.0758 436 ALA B N 7614 C CA . ALA B 354 ? 0.4193 0.6763 0.4355 0.0867 -0.0336 -0.1099 436 ALA B CA 7615 C C . ALA B 354 ? 0.4668 0.6885 0.5019 0.0738 -0.0256 -0.0848 436 ALA B C 7616 O O . ALA B 354 ? 0.4568 0.7376 0.4731 0.0915 -0.0344 -0.1157 436 ALA B O 7617 C CB . ALA B 354 ? 0.2849 0.5331 0.3012 0.0828 -0.0322 -0.1064 436 ALA B CB 7618 N N . ALA B 355 ? 0.4514 0.6793 0.4880 0.0767 -0.0270 -0.0883 437 ALA B N 7619 C CA . ALA B 355 ? 0.3711 0.6133 0.4092 0.0807 -0.0280 -0.0924 437 ALA B CA 7620 C C . ALA B 355 ? 0.4206 0.6647 0.4547 0.0851 -0.0251 -0.1065 437 ALA B C 7621 O O . ALA B 355 ? 0.3761 0.6016 0.4162 0.0809 -0.0246 -0.1040 437 ALA B O 7622 C CB . ALA B 355 ? 0.3537 0.6066 0.3896 0.0858 -0.0283 -0.0965 437 ALA B CB 7623 N N . ARG B 356 ? 0.5795 0.8547 0.6101 0.0928 -0.0303 -0.1187 438 ARG B N 7624 C CA . ARG B 356 ? 0.6859 0.9749 0.7199 0.0973 -0.0365 -0.1323 438 ARG B CA 7625 C C . ARG B 356 ? 0.6843 1.0107 0.7155 0.1078 -0.0434 -0.1475 438 ARG B C 7626 O O . ARG B 356 ? 0.5939 0.9401 0.6187 0.1115 -0.0430 -0.1468 438 ARG B O 7627 C CB . ARG B 356 ? 0.6617 0.9531 0.6939 0.0960 -0.0364 -0.1338 438 ARG B CB 7628 C CG . ARG B 356 ? 0.5045 0.7616 0.5367 0.0871 -0.0306 -0.1226 438 ARG B CG 7629 C CD . ARG B 356 ? 0.4591 0.7262 0.4882 0.0870 -0.0314 -0.1240 438 ARG B CD 7630 N NE . ARG B 356 ? 0.5038 0.7843 0.5261 0.0878 -0.0294 -0.1188 438 ARG B NE 7631 C CZ . ARG B 356 ? 0.6713 0.9833 0.6917 0.0920 -0.0324 -0.1234 438 ARG B CZ 7632 N NH1 . ARG B 356 ? 0.7449 1.0626 0.7661 0.0889 -0.0421 -0.1273 438 ARG B NH1 7633 N NH2 . ARG B 356 ? 0.6836 1.0080 0.6982 0.0924 -0.0300 -0.1166 438 ARG B NH2 7634 N N . LEU B 357 ? 0.7527 1.0827 0.7833 0.1102 -0.0501 -0.1597 439 LEU B N 7635 C CA . LEU B 357 ? 0.8289 1.1489 0.8278 0.1033 -0.0585 -0.1638 439 LEU B CA 7636 C C . LEU B 357 ? 0.8723 1.1738 0.8476 0.0924 -0.0688 -0.1675 439 LEU B C 7637 O O . LEU B 357 ? 0.9194 1.2115 0.9032 0.0913 -0.0711 -0.1715 439 LEU B O 7638 C CB . LEU B 357 ? 0.7615 1.0788 0.7619 0.1077 -0.0578 -0.1703 439 LEU B CB 7639 C CG . LEU B 357 ? 0.7170 1.0210 0.6804 0.1027 -0.0607 -0.1761 439 LEU B CG 7640 C CD1 . LEU B 357 ? 0.6892 0.9981 0.6575 0.1090 -0.0554 -0.1774 439 LEU B CD1 7641 C CD2 . LEU B 357 ? 0.6956 0.9769 0.6368 0.0957 -0.0673 -0.1857 439 LEU B CD2 7642 N N . ARG B 358 ? 0.8311 1.1277 0.7768 0.0839 -0.0761 -0.1654 440 ARG B N 7643 C CA . ARG B 358 ? 0.7811 1.0605 0.7012 0.0721 -0.0885 -0.1682 440 ARG B CA 7644 C C . ARG B 358 ? 0.9985 1.2673 0.8812 0.0665 -0.0936 -0.1725 440 ARG B C 7645 O O . ARG B 358 ? 1.0570 1.3346 0.9325 0.0699 -0.0888 -0.1695 440 ARG B O 7646 C CB . ARG B 358 ? 0.5577 0.8411 0.4795 0.0648 -0.0952 -0.1585 440 ARG B CB 7647 C CG . ARG B 358 ? 0.4993 0.7954 0.4135 0.0638 -0.0953 -0.1492 440 ARG B CG 7648 C CD . ARG B 358 ? 0.4835 0.7822 0.3994 0.0557 -0.1037 -0.1392 440 ARG B CD 7649 N NE . ARG B 358 ? 0.5582 0.8693 0.4681 0.0547 -0.1045 -0.1294 440 ARG B NE 7650 N N . PRO B 359 ? 1.0911 1.3396 0.9483 0.0578 -0.1027 -0.1798 441 PRO B N 7651 C CA . PRO B 359 ? 1.1542 1.3890 0.9714 0.0517 -0.1072 -0.1850 441 PRO B CA 7652 C C . PRO B 359 ? 1.1590 1.3987 0.9583 0.0442 -0.1154 -0.1758 441 PRO B C 7653 O O . PRO B 359 ? 1.1227 1.3714 0.9369 0.0407 -0.1210 -0.1667 441 PRO B O 7654 C CB . PRO B 359 ? 1.2300 1.4418 1.0284 0.0436 -0.1158 -0.1943 441 PRO B CB 7655 C CG . PRO B 359 ? 1.2030 1.4185 1.0266 0.0412 -0.1207 -0.1895 441 PRO B CG 7656 C CD . PRO B 359 ? 1.1314 1.3674 0.9942 0.0531 -0.1090 -0.1839 441 PRO B CD 7657 N N . THR B 360 ? 1.1508 1.3843 0.9180 0.0418 -0.1160 -0.1778 442 THR B N 7658 C CA . THR B 360 ? 1.1125 1.3500 0.8604 0.0347 -0.1247 -0.1688 442 THR B CA 7659 C C . THR B 360 ? 1.0674 1.2904 0.7959 0.0214 -0.1416 -0.1682 442 THR B C 7660 O O . THR B 360 ? 0.9827 1.2138 0.7158 0.0161 -0.1509 -0.1576 442 THR B O 7661 C CB . THR B 360 ? 1.1845 1.4172 0.9004 0.0356 -0.1205 -0.1715 442 THR B CB 7662 O OG1 . THR B 360 ? 1.1683 1.4143 0.9031 0.0476 -0.1052 -0.1716 442 THR B OG1 7663 C CG2 . THR B 360 ? 1.2431 1.4818 0.9419 0.0293 -0.1296 -0.1608 442 THR B CG2 7664 N N . ASP B 361 ? 1.0983 1.2995 0.8052 0.0160 -0.1459 -0.1793 443 ASP B N 7665 C CA . ASP B 361 ? 1.0924 1.2777 0.7800 0.0028 -0.1624 -0.1798 443 ASP B CA 7666 C C . ASP B 361 ? 0.9888 1.1793 0.7080 0.0012 -0.1665 -0.1756 443 ASP B C 7667 O O . ASP B 361 ? 1.0224 1.2036 0.7502 0.0022 -0.1639 -0.1834 443 ASP B O 7668 C CB . ASP B 361 ? 1.1499 1.3091 0.8033 -0.0025 -0.1645 -0.1938 443 ASP B CB 7669 N N . VAL B 362 ? 0.9128 1.1176 0.6488 -0.0012 -0.1725 -0.1629 444 VAL B N 7670 C CA . VAL B 362 ? 0.8839 1.0961 0.6520 -0.0015 -0.1740 -0.1573 444 VAL B CA 7671 C C . VAL B 362 ? 0.8481 1.0577 0.6089 -0.0137 -0.1917 -0.1480 444 VAL B C 7672 O O . VAL B 362 ? 0.8278 1.0422 0.5753 -0.0169 -0.1989 -0.1407 444 VAL B O 7673 C CB . VAL B 362 ? 0.9366 1.1718 0.7414 0.0108 -0.1596 -0.1506 444 VAL B CB 7674 C CG1 . VAL B 362 ? 0.8838 1.1340 0.6866 0.0116 -0.1605 -0.1398 444 VAL B CG1 7675 C CG2 . VAL B 362 ? 0.9801 1.2207 0.8161 0.0113 -0.1587 -0.1461 444 VAL B CG2 7676 N N . PRO B 363 ? 0.8466 1.0483 0.6159 -0.0205 -0.1995 -0.1480 445 PRO B N 7677 C CA . PRO B 363 ? 0.9300 1.1251 0.7149 -0.0179 -0.1931 -0.1556 445 PRO B CA 7678 C C . PRO B 363 ? 1.0073 1.1792 0.7636 -0.0244 -0.1983 -0.1681 445 PRO B C 7679 O O . PRO B 363 ? 0.9291 1.0922 0.6934 -0.0270 -0.1994 -0.1726 445 PRO B O 7680 C CB . PRO B 363 ? 0.9100 1.1085 0.7142 -0.0245 -0.2019 -0.1464 445 PRO B CB 7681 C CG . PRO B 363 ? 0.8048 0.9988 0.5872 -0.0360 -0.2198 -0.1393 445 PRO B CG 7682 C CD . PRO B 363 ? 0.7584 0.9586 0.5244 -0.0316 -0.2169 -0.1383 445 PRO B CD 7683 N N . GLU B 364 ? 1.1379 1.2994 0.8604 -0.0271 -0.2009 -0.1737 446 GLU B N 7684 C CA . GLU B 364 ? 1.2323 1.3701 0.9241 -0.0334 -0.2046 -0.1864 446 GLU B CA 7685 C C . GLU B 364 ? 1.2121 1.3470 0.9184 -0.0231 -0.1900 -0.1972 446 GLU B C 7686 O O . GLU B 364 ? 1.2214 1.3406 0.9217 -0.0275 -0.1927 -0.2054 446 GLU B O 7687 C CB . GLU B 364 ? 1.2710 1.3984 0.9228 -0.0369 -0.2080 -0.1904 446 GLU B CB 7688 N N . THR B 365 ? 1.1724 1.3224 0.8983 -0.0094 -0.1750 -0.1967 447 THR B N 7689 C CA . THR B 365 ? 1.2054 1.3536 0.9465 0.0016 -0.1616 -0.2060 447 THR B CA 7690 C C . THR B 365 ? 1.2117 1.3800 0.9970 0.0131 -0.1511 -0.1998 447 THR B C 7691 O O . THR B 365 ? 1.2173 1.3906 1.0185 0.0247 -0.1386 -0.2046 447 THR B O 7692 C CB . THR B 365 ? 1.2345 1.3786 0.9554 0.0081 -0.1518 -0.2138 447 THR B CB 7693 O OG1 . THR B 365 ? 1.1873 1.3499 0.9137 0.0133 -0.1470 -0.2051 447 THR B OG1 7694 C CG2 . THR B 365 ? 1.3145 1.4349 0.9895 -0.0026 -0.1602 -0.2224 447 THR B CG2 7695 N N . TYR B 366 ? 1.1853 1.3647 0.9899 0.0099 -0.1561 -0.1892 448 TYR B N 7696 C CA . TYR B 366 ? 1.0920 1.2890 0.9360 0.0203 -0.1457 -0.1834 448 TYR B CA 7697 C C . TYR B 366 ? 1.0068 1.1974 0.8701 0.0257 -0.1404 -0.1901 448 TYR B C 7698 O O . TYR B 366 ? 0.9776 1.1793 0.8684 0.0377 -0.1283 -0.1900 448 TYR B O 7699 C CB . TYR B 366 ? 1.0975 1.3049 0.9549 0.0147 -0.1522 -0.1709 448 TYR B CB 7700 C CG . TYR B 366 ? 1.0438 1.2689 0.9371 0.0254 -0.1399 -0.1647 448 TYR B CG 7701 C CD1 . TYR B 366 ? 0.9977 1.2398 0.9000 0.0325 -0.1316 -0.1588 448 TYR B CD1 7702 C CD2 . TYR B 366 ? 1.0423 1.2659 0.9589 0.0281 -0.1364 -0.1649 448 TYR B CD2 7703 C CE1 . TYR B 366 ? 0.9665 1.2225 0.8987 0.0418 -0.1198 -0.1539 448 TYR B CE1 7704 C CE2 . TYR B 366 ? 0.9915 1.2284 0.9372 0.0377 -0.1245 -0.1600 448 TYR B CE2 7705 C CZ . TYR B 366 ? 0.9481 1.2006 0.9010 0.0444 -0.1161 -0.1549 448 TYR B CZ 7706 O OH . TYR B 366 ? 0.8668 1.1297 0.8451 0.0532 -0.1037 -0.1509 448 TYR B OH 7707 N N . TYR B 367 ? 1.0008 1.1732 0.8494 0.0166 -0.1499 -0.1954 449 TYR B N 7708 C CA . TYR B 367 ? 0.9619 1.1267 0.8269 0.0209 -0.1463 -0.2014 449 TYR B CA 7709 C C . TYR B 367 ? 1.0793 1.2263 0.9241 0.0214 -0.1455 -0.2143 449 TYR B C 7710 O O . TYR B 367 ? 1.1244 1.2689 0.9858 0.0296 -0.1386 -0.2198 449 TYR B O 7711 C CB . TYR B 367 ? 0.8735 1.0317 0.7421 0.0106 -0.1568 -0.1969 449 TYR B CB 7712 C CG . TYR B 367 ? 0.8444 1.0181 0.7328 0.0096 -0.1573 -0.1841 449 TYR B CG 7713 C CD1 . TYR B 367 ? 0.7598 0.9445 0.6809 0.0196 -0.1468 -0.1803 449 TYR B CD1 7714 C CD2 . TYR B 367 ? 0.9026 1.0791 0.7762 -0.0013 -0.1684 -0.1759 449 TYR B CD2 7715 C CE1 . TYR B 367 ? 0.7719 0.9688 0.7087 0.0185 -0.1463 -0.1693 449 TYR B CE1 7716 C CE2 . TYR B 367 ? 0.8581 1.0483 0.7500 -0.0021 -0.1689 -0.1640 449 TYR B CE2 7717 C CZ . TYR B 367 ? 0.8562 1.0560 0.7788 0.0077 -0.1572 -0.1611 449 TYR B CZ 7718 O OH . TYR B 367 ? 0.8347 1.0462 0.7732 0.0066 -0.1568 -0.1499 449 TYR B OH 7719 N N . SER B 368 ? 1.0600 1.1939 0.8684 0.0126 -0.1525 -0.2192 450 SER B N 7720 C CA . SER B 368 ? 0.9975 1.1119 0.7818 0.0121 -0.1514 -0.2322 450 SER B CA 7721 C C . SER B 368 ? 0.9845 1.1056 0.7776 0.0258 -0.1372 -0.2369 450 SER B C 7722 O O . SER B 368 ? 0.9672 1.0767 0.7575 0.0302 -0.1324 -0.2465 450 SER B O 7723 C CB . SER B 368 ? 0.9826 1.0812 0.7234 -0.0008 -0.1615 -0.2361 450 SER B CB 7724 O OG . SER B 368 ? 0.9343 1.0437 0.6646 0.0005 -0.1596 -0.2308 450 SER B OG 7725 N N . PHE B 369 ? 0.9813 1.1213 0.7851 0.0320 -0.1308 -0.2296 451 PHE B N 7726 C CA . PHE B 369 ? 1.0326 1.1821 0.8468 0.0443 -0.1178 -0.2320 451 PHE B CA 7727 C C . PHE B 369 ? 1.1383 1.2962 0.9902 0.0547 -0.1106 -0.2318 451 PHE B C 7728 O O . PHE B 369 ? 1.1893 1.3600 1.0700 0.0570 -0.1107 -0.2240 451 PHE B O 7729 C CB . PHE B 369 ? 0.9975 1.1671 0.8178 0.0478 -0.1137 -0.2226 451 PHE B CB 7730 C CG . PHE B 369 ? 1.1359 1.3133 0.9587 0.0578 -0.1018 -0.2248 451 PHE B CG 7731 C CD1 . PHE B 369 ? 1.3309 1.4938 1.1390 0.0607 -0.0967 -0.2356 451 PHE B CD1 7732 C CD2 . PHE B 369 ? 1.1084 1.3074 0.9480 0.0640 -0.0957 -0.2158 451 PHE B CD2 7733 C CE1 . PHE B 369 ? 1.4062 1.5760 1.2163 0.0692 -0.0859 -0.2368 451 PHE B CE1 7734 C CE2 . PHE B 369 ? 1.1871 1.3935 1.0290 0.0724 -0.0855 -0.2170 451 PHE B CE2 7735 C CZ . PHE B 369 ? 1.3292 1.5210 1.1563 0.0747 -0.0806 -0.2273 451 PHE B CZ 7736 N N . ASN B 370 ? 1.1853 1.3356 1.0362 0.0608 -0.1043 -0.2402 452 ASN B N 7737 C CA . ASN B 370 ? 1.2138 1.3727 1.0997 0.0706 -0.0982 -0.2396 452 ASN B CA 7738 C C . ASN B 370 ? 1.0906 1.2720 1.0015 0.0810 -0.0886 -0.2333 452 ASN B C 7739 O O . ASN B 370 ? 1.0339 1.2146 0.9334 0.0846 -0.0824 -0.2370 452 ASN B O 7740 C CB . ASN B 370 ? 1.2732 1.4127 1.1481 0.0712 -0.0975 -0.2508 452 ASN B CB 7741 C CG . ASN B 370 ? 1.2915 1.4206 1.1375 0.0722 -0.0916 -0.2590 452 ASN B CG 7742 O OD1 . ASN B 370 ? 1.3764 1.5046 1.1976 0.0681 -0.0918 -0.2585 452 ASN B OD1 7743 N ND2 . ASN B 370 ? 1.2156 1.3363 1.0640 0.0775 -0.0861 -0.2663 452 ASN B ND2 7744 N N . TYR B 371 ? 0.8904 1.0908 0.8343 0.0854 -0.0872 -0.2239 453 TYR B N 7745 C CA . TYR B 371 ? 0.6771 0.8999 0.6466 0.0943 -0.0795 -0.2169 453 TYR B CA 7746 C C . TYR B 371 ? 0.6013 0.8279 0.5926 0.1012 -0.0759 -0.2190 453 TYR B C 7747 O O . TYR B 371 ? 0.6072 0.8471 0.6102 0.1064 -0.0710 -0.2156 453 TYR B O 7748 C CB . TYR B 371 ? 0.5792 0.8193 0.5754 0.0965 -0.0786 -0.2068 453 TYR B CB 7749 C CG . TYR B 371 ? 0.5094 0.7467 0.4859 0.0885 -0.0831 -0.2031 453 TYR B CG 7750 C CD1 . TYR B 371 ? 0.5484 0.7716 0.5132 0.0796 -0.0915 -0.2041 453 TYR B CD1 7751 C CD2 . TYR B 371 ? 0.4982 0.7472 0.4677 0.0888 -0.0804 -0.1975 453 TYR B CD2 7752 C CE1 . TYR B 371 ? 0.5842 0.8059 0.5313 0.0705 -0.0981 -0.1992 453 TYR B CE1 7753 C CE2 . TYR B 371 ? 0.5725 0.8199 0.5243 0.0805 -0.0862 -0.1929 453 TYR B CE2 7754 C CZ . TYR B 371 ? 0.5815 0.8155 0.5224 0.0710 -0.0956 -0.1935 453 TYR B CZ 7755 O OH . TYR B 371 ? 0.5224 0.7558 0.4468 0.0615 -0.1035 -0.1874 453 TYR B OH 7756 N N . GLU B 372 ? 0.5300 0.7448 0.5260 0.1002 -0.0794 -0.2238 454 GLU B N 7757 C CA . GLU B 372 ? 0.5132 0.7313 0.5306 0.1053 -0.0778 -0.2251 454 GLU B CA 7758 C C . GLU B 372 ? 0.5707 0.7826 0.5711 0.1069 -0.0728 -0.2309 454 GLU B C 7759 O O . GLU B 372 ? 0.5134 0.7361 0.5324 0.1109 -0.0701 -0.2277 454 GLU B O 7760 C CB . GLU B 372 ? 0.3194 0.5218 0.3375 0.1030 -0.0827 -0.2305 454 GLU B CB 7761 N N . ALA B 373 ? 0.7609 0.9537 0.7237 0.1027 -0.0718 -0.2393 455 ALA B N 7762 C CA . ALA B 373 ? 0.8358 1.0194 0.7779 0.1046 -0.0647 -0.2459 455 ALA B CA 7763 C C . ALA B 373 ? 0.7527 0.9534 0.6995 0.1080 -0.0590 -0.2387 455 ALA B C 7764 O O . ALA B 373 ? 0.6585 0.8619 0.6099 0.1119 -0.0529 -0.2387 455 ALA B O 7765 C CB . ALA B 373 ? 0.8907 1.0497 0.7898 0.0988 -0.0651 -0.2566 455 ALA B CB 7766 N N . LEU B 374 ? 0.7180 0.9291 0.6625 0.1061 -0.0609 -0.2323 456 LEU B N 7767 C CA . LEU B 374 ? 0.6116 0.8392 0.5601 0.1090 -0.0563 -0.2247 456 LEU B CA 7768 C C . LEU B 374 ? 0.6330 0.8816 0.6201 0.1137 -0.0566 -0.2154 456 LEU B C 7769 O O . LEU B 374 ? 0.6999 0.9558 0.6895 0.1163 -0.0520 -0.2118 456 LEU B O 7770 C CB . LEU B 374 ? 0.5307 0.7645 0.4690 0.1054 -0.0592 -0.2196 456 LEU B CB 7771 C CG . LEU B 374 ? 0.3502 0.6021 0.2935 0.1084 -0.0550 -0.2108 456 LEU B CG 7772 C CD1 . LEU B 374 ? 0.4331 0.6775 0.3534 0.1103 -0.0470 -0.2149 456 LEU B CD1 7773 C CD2 . LEU B 374 ? 0.3568 0.6128 0.2875 0.1039 -0.0584 -0.2061 456 LEU B CD2 7774 N N . ALA B 375 ? 0.5047 0.7614 0.5197 0.1139 -0.0624 -0.2115 457 ALA B N 7775 C CA . ALA B 375 ? 0.4011 0.6772 0.4517 0.1162 -0.0654 -0.2027 457 ALA B CA 7776 C C . ALA B 375 ? 0.5113 0.7811 0.5638 0.1162 -0.0642 -0.2059 457 ALA B C 7777 O O . ALA B 375 ? 0.5833 0.8627 0.6466 0.1157 -0.0648 -0.1999 457 ALA B O 7778 C CB . ALA B 375 ? 0.3663 0.6499 0.4433 0.1165 -0.0707 -0.1989 457 ALA B CB 7779 N N . LYS B 376 ? 0.5100 0.7612 0.5492 0.1158 -0.0627 -0.2156 458 LYS B N 7780 C CA . LYS B 376 ? 0.3749 0.6176 0.4142 0.1162 -0.0598 -0.2198 458 LYS B CA 7781 C C . LYS B 376 ? 0.4178 0.6535 0.4340 0.1181 -0.0501 -0.2225 458 LYS B C 7782 O O . LYS B 376 ? 0.5260 0.7596 0.5454 0.1189 -0.0459 -0.2223 458 LYS B O 7783 C CB . LYS B 376 ? 0.3412 0.5651 0.3713 0.1159 -0.0603 -0.2299 458 LYS B CB 7784 N N . ASN B 377 ? 0.4433 0.6743 0.4347 0.1185 -0.0462 -0.2250 459 ASN B N 7785 C CA . ASN B 377 ? 0.6154 0.8399 0.5828 0.1206 -0.0361 -0.2275 459 ASN B CA 7786 C C . ASN B 377 ? 0.5493 0.7914 0.5286 0.1216 -0.0348 -0.2166 459 ASN B C 7787 O O . ASN B 377 ? 0.6636 0.9023 0.6283 0.1238 -0.0258 -0.2166 459 ASN B O 7788 C CB . ASN B 377 ? 0.8286 1.0400 0.7612 0.1189 -0.0333 -0.2347 459 ASN B CB 7789 C CG . ASN B 377 ? 1.0355 1.2311 0.9377 0.1209 -0.0218 -0.2426 459 ASN B CG 7790 O OD1 . ASN B 377 ? 1.1201 1.2967 1.0057 0.1209 -0.0185 -0.2532 459 ASN B OD1 7791 N ND2 . ASN B 377 ? 1.0384 1.2419 0.9332 0.1228 -0.0152 -0.2374 459 ASN B ND2 7792 N N . LEU B 378 ? 0.4882 0.7481 0.4930 0.1200 -0.0437 -0.2072 460 LEU B N 7793 C CA . LEU B 378 ? 0.5470 0.8224 0.5621 0.1201 -0.0446 -0.1965 460 LEU B CA 7794 C C . LEU B 378 ? 0.5632 0.8448 0.6017 0.1170 -0.0505 -0.1902 460 LEU B C 7795 O O . LEU B 378 ? 0.5609 0.8497 0.6033 0.1155 -0.0515 -0.1821 460 LEU B O 7796 C CB . LEU B 378 ? 0.4158 0.7061 0.4378 0.1197 -0.0501 -0.1901 460 LEU B CB 7797 C CG . LEU B 378 ? 0.3706 0.6562 0.3649 0.1206 -0.0444 -0.1933 460 LEU B CG 7798 C CD1 . LEU B 378 ? 0.3460 0.6443 0.3498 0.1198 -0.0498 -0.1878 460 LEU B CD1 7799 C CD2 . LEU B 378 ? 0.4203 0.7068 0.3988 0.1226 -0.0364 -0.1902 460 LEU B CD2 7800 N N . SER B 379 ? 0.4854 0.7617 0.5358 0.1150 -0.0546 -0.1943 461 SER B N 7801 C CA . SER B 379 ? 0.3739 0.6534 0.4431 0.1098 -0.0613 -0.1895 461 SER B CA 7802 C C . SER B 379 ? 0.4440 0.7105 0.5051 0.1102 -0.0527 -0.1923 461 SER B C 7803 O O . SER B 379 ? 0.5482 0.8022 0.5965 0.1142 -0.0440 -0.2007 461 SER B O 7804 C CB . SER B 379 ? 0.3087 0.5791 0.3901 0.1051 -0.0657 -0.1883 461 SER B CB 7805 O OG . SER B 379 ? 0.4828 0.7516 0.5608 0.1110 -0.0650 -0.2015 461 SER B OG 7806 N N . CYS B 380 ? 0.4860 0.7535 0.5530 0.1056 -0.0544 -0.1855 462 CYS B N 7807 C CA . CYS B 380 ? 0.5644 0.8201 0.6276 0.1058 -0.0456 -0.1867 462 CYS B CA 7808 C C . CYS B 380 ? 0.5923 0.8408 0.6365 0.1130 -0.0309 -0.1900 462 CYS B C 7809 O O . CYS B 380 ? 0.5154 0.7528 0.5536 0.1164 -0.0222 -0.1970 462 CYS B O 7810 C CB . CYS B 380 ? 0.7153 0.9637 0.7885 0.1040 -0.0474 -0.1929 462 CYS B CB 7811 S SG . CYS B 380 ? 1.0133 1.2676 1.1075 0.0947 -0.0630 -0.1893 462 CYS B SG 7812 N N . ARG B 381 ? 0.6825 0.9374 0.7168 0.1153 -0.0280 -0.1850 463 ARG B N 7813 C CA . ARG B 381 ? 0.7332 0.9825 0.7483 0.1214 -0.0139 -0.1876 463 ARG B CA 7814 C C . ARG B 381 ? 0.7611 1.0087 0.7761 0.1217 -0.0062 -0.1804 463 ARG B C 7815 O O . ARG B 381 ? 0.7682 1.0093 0.7708 0.1266 0.0072 -0.1826 463 ARG B O 7816 C CB . ARG B 381 ? 0.7439 1.0010 0.7463 0.1239 -0.0143 -0.1873 463 ARG B CB 7817 C CG . ARG B 381 ? 0.8122 1.0699 0.8139 0.1234 -0.0213 -0.1939 463 ARG B CG 7818 C CD . ARG B 381 ? 0.9304 1.1716 0.9163 0.1263 -0.0135 -0.2061 463 ARG B CD 7819 N NE . ARG B 381 ? 0.9960 1.2313 0.9556 0.1286 -0.0080 -0.2123 463 ARG B NE 7820 C CZ . ARG B 381 ? 0.9837 1.2135 0.9212 0.1316 0.0038 -0.2141 463 ARG B CZ 7821 N NH1 . ARG B 381 ? 0.9899 1.2199 0.9306 0.1338 0.0122 -0.2099 463 ARG B NH1 7822 N NH2 . ARG B 381 ? 0.9163 1.1394 0.8270 0.1319 0.0073 -0.2202 463 ARG B NH2 7823 N N . GLU B 382 ? 0.8608 1.1127 0.8880 0.1163 -0.0141 -0.1719 464 GLU B N 7824 C CA . GLU B 382 ? 0.9768 1.2253 1.0039 0.1159 -0.0073 -0.1641 464 GLU B CA 7825 C C . GLU B 382 ? 1.0238 1.2638 1.0635 0.1105 -0.0094 -0.1627 464 GLU B C 7826 O O . GLU B 382 ? 1.0065 1.2464 1.0560 0.1050 -0.0201 -0.1651 464 GLU B O 7827 C CB . GLU B 382 ? 1.0323 1.2898 1.0575 0.1139 -0.0130 -0.1547 464 GLU B CB 7828 C CG . GLU B 382 ? 1.1205 1.3877 1.1338 0.1189 -0.0109 -0.1547 464 GLU B CG 7829 C CD . GLU B 382 ? 1.2282 1.4923 1.2282 0.1252 0.0049 -0.1550 464 GLU B CD 7830 O OE1 . GLU B 382 ? 1.2642 1.5204 1.2666 0.1258 0.0137 -0.1531 464 GLU B OE1 7831 O OE2 . GLU B 382 ? 1.2770 1.5465 1.2638 0.1291 0.0088 -0.1573 464 GLU B OE2 7832 N N . PRO B 383 ? 1.0784 1.3114 1.1179 0.1119 0.0012 -0.1586 465 PRO B N 7833 C CA . PRO B 383 ? 1.1478 1.3719 1.1985 0.1069 0.0007 -0.1567 465 PRO B CA 7834 C C . PRO B 383 ? 1.2026 1.4272 1.2590 0.0983 -0.0116 -0.1507 465 PRO B C 7835 O O . PRO B 383 ? 1.3226 1.5427 1.3880 0.0919 -0.0190 -0.1529 465 PRO B O 7836 C CB . PRO B 383 ? 1.1118 1.3307 1.1601 0.1112 0.0153 -0.1516 465 PRO B CB 7837 C CG . PRO B 383 ? 1.0988 1.3254 1.1352 0.1162 0.0202 -0.1482 465 PRO B CG 7838 C CD . PRO B 383 ? 1.0872 1.3203 1.1164 0.1184 0.0151 -0.1557 465 PRO B CD 7839 N N . ASN B 384 ? 0.9831 1.2122 1.0329 0.0981 -0.0133 -0.1435 466 ASN B N 7840 C CA . ASN B 384 ? 0.7745 1.0023 0.8252 0.0905 -0.0241 -0.1385 466 ASN B CA 7841 C C . ASN B 384 ? 0.6520 0.8910 0.6953 0.0914 -0.0319 -0.1372 466 ASN B C 7842 O O . ASN B 384 ? 0.7039 0.9445 0.7400 0.0919 -0.0312 -0.1298 466 ASN B O 7843 C CB . ASN B 384 ? 0.7955 1.0147 0.8456 0.0887 -0.0177 -0.1295 466 ASN B CB 7844 C CG . ASN B 384 ? 0.8957 1.1060 0.9482 0.0794 -0.0261 -0.1270 466 ASN B CG 7845 O OD1 . ASN B 384 ? 0.9769 1.1797 1.0377 0.0742 -0.0282 -0.1305 466 ASN B OD1 7846 N ND2 . ASN B 384 ? 0.8970 1.1075 0.9416 0.0772 -0.0302 -0.1212 466 ASN B ND2 7847 N N . GLN B 385 ? 0.5439 0.7907 0.5897 0.0920 -0.0391 -0.1442 467 GLN B N 7848 C CA . GLN B 385 ? 0.5362 0.7955 0.5771 0.0939 -0.0461 -0.1438 467 GLN B CA 7849 C C . GLN B 385 ? 0.5848 0.8210 0.6210 0.0840 -0.0442 -0.1295 467 GLN B C 7850 O O . GLN B 385 ? 0.7463 0.9620 0.7858 0.0751 -0.0436 -0.1243 467 GLN B O 7851 C CB . GLN B 385 ? 0.5089 0.7719 0.5560 0.0952 -0.0494 -0.1513 467 GLN B CB 7852 C CG . GLN B 385 ? 0.5114 0.7843 0.5537 0.0996 -0.0501 -0.1509 467 GLN B CG 7853 C CD . GLN B 385 ? 0.5663 0.8481 0.6152 0.1039 -0.0534 -0.1619 467 GLN B CD 7854 O OE1 . GLN B 385 ? 0.5825 0.8565 0.6290 0.1072 -0.0454 -0.1685 467 GLN B OE1 7855 N NE2 . GLN B 385 ? 0.6334 0.9068 0.6825 0.1003 -0.0536 -0.1569 467 GLN B NE2 7856 N N . HIS B 386 ? 0.5000 0.7399 0.5280 0.0860 -0.0428 -0.1230 468 HIS B N 7857 C CA . HIS B 386 ? 0.4519 0.6715 0.4747 0.0777 -0.0405 -0.1106 468 HIS B CA 7858 C C . HIS B 386 ? 0.5623 0.7725 0.5841 0.0732 -0.0411 -0.1059 468 HIS B C 7859 O O . HIS B 386 ? 0.5132 0.7088 0.5296 0.0673 -0.0393 -0.0969 468 HIS B O 7860 C CB . HIS B 386 ? 0.4887 0.7163 0.5034 0.0819 -0.0381 -0.1054 468 HIS B CB 7861 C CG . HIS B 386 ? 0.7114 0.9458 0.7264 0.0855 -0.0371 -0.1077 468 HIS B CG 7862 N ND1 . HIS B 386 ? 0.8921 1.1455 0.9080 0.0948 -0.0353 -0.1143 468 HIS B ND1 7863 C CD2 . HIS B 386 ? 0.8387 1.0608 0.8538 0.0809 -0.0353 -0.1033 468 HIS B CD2 7864 C CE1 . HIS B 386 ? 0.9840 1.2262 1.0027 0.0936 -0.0272 -0.1095 468 HIS B CE1 7865 N NE2 . HIS B 386 ? 0.9297 1.1616 0.9469 0.0868 -0.0319 -0.1061 468 HIS B NE2 7866 N N . PHE B 387 ? 0.6024 0.8224 0.6295 0.0767 -0.0436 -0.1131 469 PHE B N 7867 C CA . PHE B 387 ? 0.5595 0.7720 0.5878 0.0729 -0.0445 -0.1095 469 PHE B CA 7868 C C . PHE B 387 ? 0.5422 0.7540 0.5794 0.0725 -0.0468 -0.1159 469 PHE B C 7869 O O . PHE B 387 ? 0.5731 0.7945 0.6154 0.0770 -0.0482 -0.1254 469 PHE B O 7870 C CB . PHE B 387 ? 0.5803 0.8117 0.6061 0.0801 -0.0448 -0.1116 469 PHE B CB 7871 C CG . PHE B 387 ? 0.6283 0.8866 0.6580 0.0916 -0.0470 -0.1258 469 PHE B CG 7872 C CD1 . PHE B 387 ? 0.6499 0.9273 0.6766 0.1002 -0.0470 -0.1331 469 PHE B CD1 7873 C CD2 . PHE B 387 ? 0.5530 0.8193 0.5884 0.0950 -0.0491 -0.1331 469 PHE B CD2 7874 C CE1 . PHE B 387 ? 0.6097 0.9130 0.6377 0.1115 -0.0493 -0.1475 469 PHE B CE1 7875 C CE2 . PHE B 387 ? 0.5406 0.8329 0.5772 0.1066 -0.0516 -0.1489 469 PHE B CE2 7876 C CZ . PHE B 387 ? 0.5534 0.8640 0.5859 0.1148 -0.0518 -0.1561 469 PHE B CZ 7877 N N . ARG B 388 ? 0.4818 0.6830 0.5212 0.0676 -0.0472 -0.1110 470 ARG B N 7878 C CA . ARG B 388 ? 0.4547 0.6550 0.5029 0.0676 -0.0491 -0.1160 470 ARG B CA 7879 C C . ARG B 388 ? 0.5169 0.7210 0.5696 0.0693 -0.0496 -0.1159 470 ARG B C 7880 O O . ARG B 388 ? 0.6456 0.8202 0.6645 0.0650 -0.0399 -0.1205 470 ARG B O 7881 C CB . ARG B 388 ? 0.4113 0.5730 0.4366 0.0600 -0.0394 -0.1193 470 ARG B CB 7882 C CG . ARG B 388 ? 0.4124 0.5984 0.4853 0.0671 -0.0416 -0.1134 470 ARG B CG 7883 C CD . ARG B 388 ? 0.4213 0.5670 0.4582 0.0571 -0.0372 -0.1227 470 ARG B CD 7884 N NE . ARG B 388 ? 0.4297 0.5732 0.4656 0.0553 -0.0358 -0.1196 470 ARG B NE 7885 C CZ . ARG B 388 ? 0.5210 0.6555 0.5606 0.0515 -0.0347 -0.1169 470 ARG B CZ 7886 N NH1 . ARG B 388 ? 0.5679 0.7511 0.6481 0.0672 -0.0474 -0.1448 470 ARG B NH1 7887 N NH2 . ARG B 388 ? 0.5738 0.7645 0.6470 0.0683 -0.0457 -0.1422 470 ARG B NH2 7888 N N . PRO B 389 ? 0.4840 0.7072 0.5432 0.0790 -0.0522 -0.1304 471 PRO B N 7889 C CA . PRO B 389 ? 0.5057 0.7365 0.5695 0.0836 -0.0526 -0.1355 471 PRO B CA 7890 C C . PRO B 389 ? 0.5072 0.7189 0.5769 0.0764 -0.0513 -0.1274 471 PRO B C 7891 O O . PRO B 389 ? 0.5771 0.7819 0.6506 0.0738 -0.0528 -0.1286 471 PRO B O 7892 C CB . PRO B 389 ? 0.4898 0.7451 0.5561 0.0959 -0.0574 -0.1565 471 PRO B CB 7893 C CG . PRO B 389 ? 0.4141 0.6788 0.4765 0.0990 -0.0580 -0.1607 471 PRO B CG 7894 C CD . PRO B 389 ? 0.4055 0.6468 0.4667 0.0876 -0.0551 -0.1457 471 PRO B CD 7895 N N . TYR B 390 ? 0.3207 0.5256 0.3914 0.0742 -0.0477 -0.1198 472 TYR B N 7896 C CA . TYR B 390 ? 0.3147 0.4794 0.3470 0.0671 -0.0415 -0.1326 472 TYR B CA 7897 C C . TYR B 390 ? 0.3084 0.5079 0.3854 0.0776 -0.0445 -0.1245 472 TYR B C 7898 O O . TYR B 390 ? 0.2449 0.4513 0.3170 0.0805 -0.0423 -0.1264 472 TYR B O 7899 C CB . TYR B 390 ? 0.3167 0.4729 0.3479 0.0629 -0.0390 -0.1256 472 TYR B CB 7900 C CG . TYR B 390 ? 0.3957 0.5436 0.4295 0.0597 -0.0381 -0.1229 472 TYR B CG 7901 C CD1 . TYR B 390 ? 0.3775 0.5178 0.4173 0.0579 -0.0391 -0.1243 472 TYR B CD1 7902 C CD2 . TYR B 390 ? 0.4013 0.6117 0.4659 0.0798 -0.0495 -0.1473 472 TYR B CD2 7903 C CE1 . TYR B 390 ? 0.3210 0.4544 0.3634 0.0549 -0.0381 -0.1217 472 TYR B CE1 7904 C CE2 . TYR B 390 ? 0.3445 0.4848 0.3773 0.0555 -0.0355 -0.1163 472 TYR B CE2 7905 C CZ . TYR B 390 ? 0.3891 0.5224 0.4280 0.0537 -0.0363 -0.1179 472 TYR B CZ 7906 O OH . TYR B 390 ? 0.5466 0.6731 0.5881 0.0508 -0.0354 -0.1155 472 TYR B OH 7907 N N . LEU B 391 ? 0.4159 0.6182 0.4978 0.0812 -0.0485 -0.1348 473 LEU B N 7908 C CA . LEU B 391 ? 0.5069 0.7156 0.5889 0.0863 -0.0505 -0.1452 473 LEU B CA 7909 C C . LEU B 391 ? 0.4933 0.6804 0.5721 0.0786 -0.0422 -0.1298 473 LEU B C 7910 O O . LEU B 391 ? 0.6250 0.8054 0.7067 0.0699 -0.0469 -0.1202 473 LEU B O 7911 C CB . LEU B 391 ? 0.5729 0.7863 0.6618 0.0912 -0.0576 -0.1587 473 LEU B CB 7912 C CG . LEU B 391 ? 0.5252 0.7620 0.6164 0.1022 -0.0671 -0.1806 473 LEU B CG 7913 C CD1 . LEU B 391 ? 0.3970 0.6569 0.4825 0.1104 -0.0708 -0.1931 473 LEU B CD1 7914 C CD2 . LEU B 391 ? 0.6176 0.8566 0.7095 0.1020 -0.0674 -0.1803 473 LEU B CD2 7915 N N . LYS B 392 ? 0.4679 0.6620 0.5425 0.0814 -0.0430 -0.1362 474 LYS B N 7916 C CA . LYS B 392 ? 0.5219 0.6981 0.5903 0.0753 -0.0359 -0.1253 474 LYS B CA 7917 C C . LYS B 392 ? 0.5798 0.7230 0.6207 0.0612 -0.0416 -0.1289 474 LYS B C 7918 O O . LYS B 392 ? 0.6064 0.7430 0.6467 0.0579 -0.0395 -0.1235 474 LYS B O 7919 C CB . LYS B 392 ? 0.4203 0.6153 0.4861 0.0799 -0.0404 -0.1363 474 LYS B CB 7920 C CG . LYS B 392 ? 0.3429 0.5581 0.4152 0.0874 -0.0502 -0.1542 474 LYS B CG 7921 C CD . LYS B 392 ? 0.3168 0.5491 0.3861 0.0899 -0.0526 -0.1603 474 LYS B CD 7922 C CE . LYS B 392 ? 0.3800 0.6211 0.4448 0.0878 -0.0658 -0.1693 474 LYS B CE 7923 N NZ . LYS B 392 ? 0.4278 0.6668 0.4832 0.0776 -0.0712 -0.1609 474 LYS B NZ 7924 N N . PRO B 393 ? 0.5371 0.6976 0.6150 0.0734 -0.0387 -0.1263 475 PRO B N 7925 C CA . PRO B 393 ? 0.6295 0.7597 0.6802 0.0597 -0.0443 -0.1313 475 PRO B CA 7926 C C . PRO B 393 ? 0.6022 0.7276 0.6547 0.0577 -0.0437 -0.1294 475 PRO B C 7927 O O . PRO B 393 ? 0.5584 0.6755 0.6135 0.0547 -0.0429 -0.1262 475 PRO B O 7928 C CB . PRO B 393 ? 0.6322 0.7838 0.7196 0.0738 -0.0437 -0.1315 475 PRO B CB 7929 C CG . PRO B 393 ? 0.5945 0.7709 0.6847 0.0824 -0.0528 -0.1499 475 PRO B CG 7930 C CD . PRO B 393 ? 0.5035 0.6864 0.5890 0.0824 -0.0497 -0.1461 475 PRO B CD 7931 N N . PHE B 394 ? 0.6393 0.8003 0.7282 0.0647 -0.0480 -0.1187 476 PHE B N 7932 C CA . PHE B 394 ? 0.6320 0.7891 0.7221 0.0628 -0.0474 -0.1176 476 PHE B CA 7933 C C . PHE B 394 ? 0.5961 0.7209 0.6450 0.0547 -0.0404 -0.1240 476 PHE B C 7934 O O . PHE B 394 ? 0.5609 0.6820 0.6109 0.0528 -0.0396 -0.1221 476 PHE B O 7935 C CB . PHE B 394 ? 0.7080 0.8730 0.8008 0.0663 -0.0496 -0.1225 476 PHE B CB 7936 C CG . PHE B 394 ? 0.7805 0.9149 0.8390 0.0636 -0.0488 -0.1420 476 PHE B CG 7937 C CD1 . PHE B 394 ? 0.7550 0.8823 0.8180 0.0624 -0.0498 -0.1418 476 PHE B CD1 7938 C CD2 . PHE B 394 ? 0.7975 0.9748 0.8988 0.0765 -0.0546 -0.1374 476 PHE B CD2 7939 C CE1 . PHE B 394 ? 0.7930 0.9547 0.9007 0.0711 -0.0582 -0.1330 476 PHE B CE1 7940 C CE2 . PHE B 394 ? 0.8533 1.0390 0.9611 0.0839 -0.0618 -0.1541 476 PHE B CE2 7941 C CZ . PHE B 394 ? 0.8800 1.0553 0.9913 0.0824 -0.0615 -0.1518 476 PHE B CZ 7942 N N . LEU B 395 ? 0.5052 0.6600 0.5853 0.0594 -0.0425 -0.1093 477 LEU B N 7943 C CA . LEU B 395 ? 0.4652 0.6158 0.5400 0.0566 -0.0396 -0.1038 477 LEU B CA 7944 C C . LEU B 395 ? 0.5715 0.7109 0.6470 0.0525 -0.0383 -0.1000 477 LEU B C 7945 O O . LEU B 395 ? 0.6337 0.7435 0.6805 0.0476 -0.0360 -0.1116 477 LEU B O 7946 C CB . LEU B 395 ? 0.4775 0.6633 0.5465 0.0720 -0.0480 -0.1403 477 LEU B CB 7947 C CG . LEU B 395 ? 0.3919 0.5916 0.4556 0.0760 -0.0479 -0.1419 477 LEU B CG 7948 C CD1 . LEU B 395 ? 0.2368 0.3819 0.2629 0.0564 -0.0339 -0.1122 477 LEU B CD1 7949 C CD2 . LEU B 395 ? 0.3130 0.4524 0.3410 0.0548 -0.0338 -0.1111 477 LEU B CD2 7950 N N . PRO B 396 ? 0.5450 0.6548 0.5865 0.0456 -0.0332 -0.1058 478 PRO B N 7951 C CA . PRO B 396 ? 0.4373 0.5378 0.4807 0.0421 -0.0319 -0.1013 478 PRO B CA 7952 C C . PRO B 396 ? 0.4042 0.5255 0.4751 0.0451 -0.0342 -0.0899 478 PRO B C 7953 O O . PRO B 396 ? 0.4656 0.6142 0.5346 0.0576 -0.0418 -0.1222 478 PRO B O 7954 C CB . PRO B 396 ? 0.3917 0.4905 0.4317 0.0404 -0.0300 -0.0968 478 PRO B CB 7955 C CG . PRO B 396 ? 0.4218 0.5273 0.4605 0.0427 -0.0307 -0.0998 478 PRO B CG 7956 C CD . PRO B 396 ? 0.4211 0.5587 0.4902 0.0504 -0.0353 -0.0947 478 PRO B CD 7957 N N . LYS B 397 ? 0.3331 0.4253 0.3796 0.0398 -0.0316 -0.0988 479 LYS B N 7958 C CA . LYS B 397 ? 0.2566 0.3891 0.3348 0.0534 -0.0428 -0.1212 479 LYS B CA 7959 C C . LYS B 397 ? 0.2486 0.3578 0.3169 0.0406 -0.0318 -0.0835 479 LYS B C 7960 O O . LYS B 397 ? 0.1781 0.3080 0.2483 0.0510 -0.0393 -0.1138 479 LYS B O 7961 C CB . LYS B 397 ? 0.2917 0.3756 0.3431 0.0379 -0.0321 -0.0977 479 LYS B CB 7962 C CG . LYS B 397 ? 0.4531 0.5396 0.5086 0.0403 -0.0347 -0.1034 479 LYS B CG 7963 C CD . LYS B 397 ? 0.6174 0.7095 0.6718 0.0428 -0.0359 -0.1068 479 LYS B CD 7964 C CE . LYS B 397 ? 0.6304 0.7509 0.7191 0.0496 -0.0424 -0.1017 479 LYS B CE 7965 N NZ . LYS B 397 ? 0.6555 0.7818 0.7446 0.0524 -0.0439 -0.1048 479 LYS B NZ 7966 N N . ARG B 398 ? 0.3191 0.4243 0.3851 0.0387 -0.0304 -0.0803 480 ARG B N 7967 C CA . ARG B 398 ? 0.2964 0.3781 0.3342 0.0336 -0.0259 -0.0837 480 ARG B CA 7968 C C . ARG B 398 ? 0.3174 0.4453 0.3764 0.0482 -0.0348 -0.1040 480 ARG B C 7969 O O . ARG B 398 ? 0.3253 0.4313 0.3795 0.0376 -0.0266 -0.0729 480 ARG B O 7970 C CB . ARG B 398 ? 0.2537 0.3669 0.3172 0.0432 -0.0338 -0.1000 480 ARG B CB 7971 C CG . ARG B 398 ? 0.2901 0.3723 0.3263 0.0332 -0.0252 -0.0824 480 ARG B CG 7972 C CD . ARG B 398 ? 0.2341 0.3121 0.2697 0.0312 -0.0239 -0.0788 480 ARG B CD 7973 N NE . ARG B 398 ? 0.3046 0.3871 0.3392 0.0327 -0.0244 -0.0808 480 ARG B NE 7974 C CZ . ARG B 398 ? 0.4153 0.5028 0.4454 0.0341 -0.0240 -0.0802 480 ARG B CZ 7975 N NH1 . ARG B 398 ? 0.4696 0.5583 0.4959 0.0343 -0.0231 -0.0775 480 ARG B NH1 7976 N NH2 . ARG B 398 ? 0.3984 0.5089 0.4525 0.0387 -0.0267 -0.0743 480 ARG B NH2 7977 N N . LEU B 399 ? 0.3118 0.4077 0.3434 0.0381 -0.0266 -0.0874 481 LEU B N 7978 C CA . LEU B 399 ? 0.4108 0.5147 0.4376 0.0401 -0.0262 -0.0874 481 LEU B CA 7979 C C . LEU B 399 ? 0.4060 0.5340 0.4608 0.0450 -0.0290 -0.0807 481 LEU B C 7980 O O . LEU B 399 ? 0.4296 0.5421 0.4522 0.0419 -0.0256 -0.0876 481 LEU B O 7981 C CB . LEU B 399 ? 0.3803 0.5128 0.4348 0.0468 -0.0296 -0.0821 481 LEU B CB 7982 C CG . LEU B 399 ? 0.3398 0.4697 0.3933 0.0459 -0.0290 -0.0805 481 LEU B CG 7983 C CD1 . LEU B 399 ? 0.4760 0.5938 0.4996 0.0451 -0.0277 -0.0927 481 LEU B CD1 7984 C CD2 . LEU B 399 ? 0.2530 0.3794 0.3015 0.0443 -0.0270 -0.0756 481 LEU B CD2 7985 N N . HIS B 400 ? 0.3882 0.4935 0.4193 0.0414 -0.0280 -0.0925 482 HIS B N 7986 C CA . HIS B 400 ? 0.4278 0.5361 0.4595 0.0424 -0.0286 -0.0948 482 HIS B CA 7987 C C . HIS B 400 ? 0.4605 0.6022 0.5196 0.0496 -0.0315 -0.0882 482 HIS B C 7988 O O . HIS B 400 ? 0.4166 0.5624 0.4730 0.0498 -0.0304 -0.0869 482 HIS B O 7989 C CB . HIS B 400 ? 0.4017 0.5264 0.4603 0.0439 -0.0297 -0.0823 482 HIS B CB 7990 C CG . HIS B 400 ? 0.3921 0.5064 0.4527 0.0409 -0.0295 -0.0802 482 HIS B CG 7991 N ND1 . HIS B 400 ? 0.3337 0.4239 0.3729 0.0373 -0.0282 -0.0907 482 HIS B ND1 7992 C CD2 . HIS B 400 ? 0.3922 0.4796 0.4266 0.0350 -0.0257 -0.0842 482 HIS B CD2 7993 C CE1 . HIS B 400 ? 0.2098 0.3126 0.2755 0.0379 -0.0301 -0.0792 482 HIS B CE1 7994 N NE2 . HIS B 400 ? 0.3188 0.3994 0.3574 0.0334 -0.0260 -0.0837 482 HIS B NE2 7995 N N . PHE B 401 ? 0.4789 0.6266 0.5397 0.0521 -0.0329 -0.0916 483 PHE B N 7996 C CA . PHE B 401 ? 0.3752 0.5348 0.4339 0.0552 -0.0329 -0.0932 483 PHE B CA 7997 C C . PHE B 401 ? 0.4166 0.5576 0.4436 0.0536 -0.0325 -0.1095 483 PHE B C 7998 O O . PHE B 401 ? 0.1107 0.2832 0.1740 0.0608 -0.0363 -0.1012 483 PHE B O 7999 C CB . PHE B 401 ? 0.2446 0.4065 0.2994 0.0555 -0.0317 -0.0906 483 PHE B CB 8000 C CG . PHE B 401 ? 0.2782 0.4300 0.2934 0.0523 -0.0310 -0.0997 483 PHE B CG 8001 C CD1 . PHE B 401 ? 0.1242 0.2871 0.1466 0.0591 -0.0210 -0.0983 483 PHE B CD1 8002 C CD2 . PHE B 401 ? 0.2461 0.4056 0.2602 0.0551 -0.0321 -0.1029 483 PHE B CD2 8003 C CE1 . PHE B 401 ? 0.3082 0.4961 0.3304 0.0646 -0.0227 -0.1022 483 PHE B CE1 8004 C CE2 . PHE B 401 ? 0.3731 0.5527 0.3982 0.0660 -0.0212 -0.1034 483 PHE B CE2 8005 C CZ . PHE B 401 ? 0.4064 0.6026 0.4295 0.0679 -0.0229 -0.1048 483 PHE B CZ 8006 N N . ALA B 402 ? 0.4292 0.5800 0.4767 0.0622 -0.0284 -0.1132 484 ALA B N 8007 C CA . ALA B 402 ? 0.5573 0.7227 0.6144 0.0682 -0.0344 -0.1242 484 ALA B CA 8008 C C . ALA B 402 ? 0.5616 0.7507 0.6258 0.0742 -0.0425 -0.1385 484 ALA B C 8009 O O . ALA B 402 ? 0.6415 0.8543 0.7100 0.0812 -0.0490 -0.1513 484 ALA B O 8010 C CB . ALA B 402 ? 0.7215 0.8681 0.7816 0.0652 -0.0323 -0.1191 484 ALA B CB 8011 N N . LYS B 403 ? 0.5511 0.7353 0.6164 0.0719 -0.0427 -0.1374 485 LYS B N 8012 C CA . LYS B 403 ? 0.4668 0.6715 0.5404 0.0773 -0.0507 -0.1514 485 LYS B CA 8013 C C . LYS B 403 ? 0.5417 0.7588 0.6079 0.0684 -0.0582 -0.1413 485 LYS B C 8014 O O . LYS B 403 ? 0.7360 0.9526 0.8019 0.0615 -0.0613 -0.1327 485 LYS B O 8015 C CB . LYS B 403 ? 0.3413 0.5315 0.4180 0.0736 -0.0503 -0.1481 485 LYS B CB 8016 N N . SER B 404 ? 0.4463 0.6750 0.5075 0.0685 -0.0616 -0.1415 486 SER B N 8017 C CA . SER B 404 ? 0.3810 0.6212 0.4349 0.0595 -0.0713 -0.1317 486 SER B CA 8018 C C . SER B 404 ? 0.4879 0.7338 0.5333 0.0563 -0.0813 -0.1343 486 SER B C 8019 O O . SER B 404 ? 0.5441 0.7899 0.5898 0.0638 -0.0767 -0.1429 486 SER B O 8020 C CB . SER B 404 ? 0.2624 0.5100 0.3135 0.0631 -0.0624 -0.1274 486 SER B CB 8021 O OG . SER B 404 ? 0.1833 0.4416 0.2304 0.0545 -0.0722 -0.1162 486 SER B OG 8022 N N . ASP B 405 ? 0.4268 0.6765 0.4633 0.0448 -0.0957 -0.1269 487 ASP B N 8023 C CA . ASP B 405 ? 0.5259 0.7770 0.5475 0.0396 -0.1067 -0.1293 487 ASP B CA 8024 C C . ASP B 405 ? 0.4372 0.6996 0.4536 0.0454 -0.1010 -0.1294 487 ASP B C 8025 O O . ASP B 405 ? 0.4024 0.6648 0.4083 0.0469 -0.1030 -0.1357 487 ASP B O 8026 C CB . ASP B 405 ? 0.7006 0.9510 0.7119 0.0252 -0.1242 -0.1209 487 ASP B CB 8027 C CG . ASP B 405 ? 0.8445 1.0832 0.8571 0.0178 -0.1324 -0.1218 487 ASP B CG 8028 O OD1 . ASP B 405 ? 0.8648 1.0943 0.8798 0.0226 -0.1281 -0.1310 487 ASP B OD1 8029 O OD2 . ASP B 405 ? 0.8976 1.1368 0.9095 0.0073 -0.1436 -0.1128 487 ASP B OD2 8030 N N . ARG B 406 ? 0.3496 0.6207 0.3721 0.0480 -0.0939 -0.1222 488 ARG B N 8031 C CA . ARG B 406 ? 0.2959 0.5788 0.3135 0.0523 -0.0892 -0.1199 488 ARG B CA 8032 C C . ARG B 406 ? 0.2930 0.5774 0.3159 0.0649 -0.0747 -0.1291 488 ARG B C 8033 O O . ARG B 406 ? 0.4773 0.7708 0.4943 0.0684 -0.0724 -0.1296 488 ARG B O 8034 C CB . ARG B 406 ? 0.2924 0.5830 0.3146 0.0506 -0.0868 -0.1087 488 ARG B CB 8035 C CG . ARG B 406 ? 0.4680 0.7592 0.4880 0.0385 -0.1023 -0.0989 488 ARG B CG 8036 C CD . ARG B 406 ? 0.4279 0.7249 0.4566 0.0371 -0.1000 -0.0878 488 ARG B CD 8037 N NE . ARG B 406 ? 0.4822 0.7785 0.5130 0.0265 -0.1146 -0.0795 488 ARG B NE 8038 C CZ . ARG B 406 ? 0.5327 0.8336 0.5724 0.0234 -0.1164 -0.0691 488 ARG B CZ 8039 N NH1 . ARG B 406 ? 0.6638 0.9691 0.7091 0.0295 -0.1046 -0.0654 488 ARG B NH1 8040 N NH2 . ARG B 406 ? 0.3462 0.6466 0.3887 0.0141 -0.1304 -0.0623 488 ARG B NH2 8041 N N . ILE B 407 ? 0.2222 0.4978 0.2561 0.0716 -0.0653 -0.1358 489 ILE B N 8042 C CA . ILE B 407 ? 0.2954 0.5722 0.3361 0.0837 -0.0526 -0.1445 489 ILE B CA 8043 C C . ILE B 407 ? 0.2719 0.5495 0.3100 0.0841 -0.0598 -0.1512 489 ILE B C 8044 O O . ILE B 407 ? 0.3135 0.5814 0.3493 0.0789 -0.0687 -0.1541 489 ILE B O 8045 C CB . ILE B 407 ? 0.3790 0.6363 0.4276 0.0863 -0.0431 -0.1454 489 ILE B CB 8046 C CG1 . ILE B 407 ? 0.3167 0.5648 0.3609 0.0812 -0.0390 -0.1365 489 ILE B CG1 8047 C CG2 . ILE B 407 ? 0.3522 0.5856 0.3988 0.0822 -0.0378 -0.1355 489 ILE B CG2 8048 C CD1 . ILE B 407 ? 0.3333 0.5490 0.3777 0.0744 -0.0352 -0.1280 489 ILE B CD1 8049 N N . GLU B 408 ? 0.1901 0.4779 0.2263 0.0896 -0.0566 -0.1533 490 GLU B N 8050 C CA . GLU B 408 ? 0.3625 0.6490 0.3919 0.0894 -0.0635 -0.1597 490 GLU B CA 8051 C C . GLU B 408 ? 0.4598 0.7409 0.5063 0.0967 -0.0594 -0.1672 490 GLU B C 8052 O O . GLU B 408 ? 0.6757 0.9436 0.7322 0.0971 -0.0501 -0.1597 490 GLU B O 8053 C CB . GLU B 408 ? 0.4203 0.7192 0.4442 0.0935 -0.0607 -0.1592 490 GLU B CB 8054 C CG . GLU B 408 ? 0.5633 0.8644 0.5634 0.0842 -0.0697 -0.1531 490 GLU B CG 8055 C CD . GLU B 408 ? 0.7897 1.0973 0.7930 0.0815 -0.0675 -0.1431 490 GLU B CD 8056 O OE1 . GLU B 408 ? 0.8670 1.1793 0.8860 0.0890 -0.0548 -0.1416 490 GLU B OE1 8057 O OE2 . GLU B 408 ? 0.8254 1.1316 0.8133 0.0713 -0.0789 -0.1368 490 GLU B OE2 8058 N N . PRO B 409 ? 0.3927 0.6630 0.4286 0.0916 -0.0693 -0.1728 491 PRO B N 8059 C CA . PRO B 409 ? 0.3272 0.5923 0.3784 0.0973 -0.0678 -0.1791 491 PRO B CA 8060 C C . PRO B 409 ? 0.3831 0.6592 0.4507 0.1066 -0.0612 -0.1797 491 PRO B C 8061 O O . PRO B 409 ? 0.4916 0.7496 0.5645 0.1028 -0.0600 -0.1747 491 PRO B O 8062 C CB . PRO B 409 ? 0.3863 0.6352 0.4128 0.0875 -0.0804 -0.1848 491 PRO B CB 8063 C CG . PRO B 409 ? 0.4704 0.7144 0.4752 0.0757 -0.0892 -0.1800 491 PRO B CG 8064 C CD . PRO B 409 ? 0.4735 0.7330 0.4806 0.0787 -0.0831 -0.1731 491 PRO B CD 8065 N N . LEU B 410 ? 0.3246 0.6117 0.3860 0.1079 -0.0589 -0.1768 492 LEU B N 8066 C CA . LEU B 410 ? 0.4789 0.7552 0.5400 0.1045 -0.0550 -0.1671 492 LEU B CA 8067 C C . LEU B 410 ? 0.5645 0.8277 0.6207 0.0974 -0.0470 -0.1497 492 LEU B C 8068 O O . LEU B 410 ? 0.5817 0.8613 0.6317 0.1006 -0.0466 -0.1513 492 LEU B O 8069 C CB . LEU B 410 ? 0.5427 0.8437 0.6000 0.1135 -0.0610 -0.1815 492 LEU B CB 8070 C CG . LEU B 410 ? 0.4627 0.7600 0.5201 0.1121 -0.0585 -0.1748 492 LEU B CG 8071 C CD1 . LEU B 410 ? 0.3842 0.6582 0.4489 0.1052 -0.0574 -0.1672 492 LEU B CD1 8072 C CD2 . LEU B 410 ? 0.5757 0.8774 0.6109 0.1145 -0.0614 -0.1856 492 LEU B CD2 8073 N N . THR B 411 ? 0.5941 0.8288 0.6533 0.0882 -0.0409 -0.1332 493 THR B N 8074 C CA . THR B 411 ? 0.5210 0.7391 0.5763 0.0815 -0.0333 -0.1170 493 THR B CA 8075 C C . THR B 411 ? 0.4743 0.6895 0.5326 0.0783 -0.0361 -0.1109 493 THR B C 8076 O O . THR B 411 ? 0.4368 0.6545 0.4989 0.0788 -0.0410 -0.1152 493 THR B O 8077 C CB . THR B 411 ? 0.4524 0.6328 0.4673 0.0651 -0.0381 -0.1179 493 THR B CB 8078 O OG1 . THR B 411 ? 0.4928 0.6630 0.5134 0.0629 -0.0393 -0.1193 493 THR B OG1 8079 C CG2 . THR B 411 ? 0.3412 0.5449 0.3890 0.0779 -0.0287 -0.1173 493 THR B CG2 8080 N N . PHE B 412 ? 0.5903 0.8520 0.6309 0.0940 -0.0463 -0.1439 494 PHE B N 8081 C CA . PHE B 412 ? 0.6533 0.8392 0.6613 0.0672 -0.0367 -0.1134 494 PHE B CA 8082 C C . PHE B 412 ? 0.7160 0.9601 0.7535 0.0879 -0.0433 -0.1341 494 PHE B C 8083 O O . PHE B 412 ? 0.8123 0.9874 0.8168 0.0623 -0.0327 -0.1024 494 PHE B O 8084 C CB . PHE B 412 ? 0.6611 0.8588 0.6634 0.0708 -0.0362 -0.1126 494 PHE B CB 8085 C CG . PHE B 412 ? 0.7576 1.0051 0.8036 0.0858 -0.0437 -0.1165 494 PHE B CG 8086 C CD1 . PHE B 412 ? 0.8260 1.0828 0.8716 0.0904 -0.0475 -0.1270 494 PHE B CD1 8087 C CD2 . PHE B 412 ? 0.7891 1.0564 0.8339 0.0938 -0.0427 -0.1257 494 PHE B CD2 8088 C CE1 . PHE B 412 ? 0.8142 1.0978 0.8595 0.1023 -0.0508 -0.1450 494 PHE B CE1 8089 C CE2 . PHE B 412 ? 0.8152 1.1107 0.8573 0.1051 -0.0476 -0.1443 494 PHE B CE2 8090 C CZ . PHE B 412 ? 0.8061 1.1087 0.8491 0.1094 -0.0515 -0.1535 494 PHE B CZ 8091 N N . TYR B 413 ? 0.6112 0.7784 0.6230 0.0609 -0.0350 -0.1076 495 TYR B N 8092 C CA . TYR B 413 ? 0.5333 0.7128 0.5833 0.0652 -0.0304 -0.0936 495 TYR B CA 8093 C C . TYR B 413 ? 0.5806 0.7408 0.5894 0.0581 -0.0324 -0.1000 495 TYR B C 8094 O O . TYR B 413 ? 0.6153 0.7785 0.6256 0.0594 -0.0337 -0.1036 495 TYR B O 8095 C CB . TYR B 413 ? 0.3862 0.5333 0.4045 0.0539 -0.0337 -0.1032 495 TYR B CB 8096 C CG . TYR B 413 ? 0.2719 0.4642 0.3183 0.0702 -0.0398 -0.1221 495 TYR B CG 8097 C CD1 . TYR B 413 ? 0.2609 0.4124 0.3112 0.0551 -0.0279 -0.0858 495 TYR B CD1 8098 C CD2 . TYR B 413 ? 0.1978 0.3852 0.2454 0.0682 -0.0394 -0.1209 495 TYR B CD2 8099 C CE1 . TYR B 413 ? 0.2663 0.3897 0.2843 0.0448 -0.0289 -0.0888 495 TYR B CE1 8100 C CE2 . TYR B 413 ? 0.1894 0.3345 0.2409 0.0508 -0.0298 -0.0837 495 TYR B CE2 8101 C CZ . TYR B 413 ? 0.2330 0.3721 0.2822 0.0488 -0.0285 -0.0801 495 TYR B CZ 8102 O OH . TYR B 413 ? 0.4164 0.5267 0.4361 0.0415 -0.0247 -0.0840 495 TYR B OH 8103 N N . LEU B 414 ? 0.4962 0.6554 0.5006 0.0574 -0.0304 -0.0942 496 LEU B N 8104 C CA . LEU B 414 ? 0.4370 0.5989 0.4377 0.0585 -0.0296 -0.0914 496 LEU B CA 8105 C C . LEU B 414 ? 0.4574 0.6679 0.4828 0.0762 -0.0351 -0.1085 496 LEU B C 8106 O O . LEU B 414 ? 0.5270 0.7266 0.5530 0.0721 -0.0340 -0.1049 496 LEU B O 8107 C CB . LEU B 414 ? 0.4109 0.6491 0.4291 0.0857 -0.0356 -0.1103 496 LEU B CB 8108 C CG . LEU B 414 ? 0.4324 0.6394 0.4671 0.0743 -0.0273 -0.0850 496 LEU B CG 8109 C CD1 . LEU B 414 ? 0.3985 0.5867 0.3917 0.0669 -0.0304 -0.0952 496 LEU B CD1 8110 C CD2 . LEU B 414 ? 0.5224 0.7314 0.5245 0.0704 -0.0380 -0.0845 496 LEU B CD2 8111 N N . ASP B 415 ? 0.3993 0.5709 0.4359 0.0623 -0.0257 -0.0791 497 ASP B N 8112 C CA . ASP B 415 ? 0.3802 0.5796 0.4037 0.0724 -0.0333 -0.1024 497 ASP B CA 8113 C C . ASP B 415 ? 0.3586 0.5200 0.3877 0.0590 -0.0226 -0.0692 497 ASP B C 8114 O O . ASP B 415 ? 0.2713 0.4821 0.2826 0.0770 -0.0303 -0.0928 497 ASP B O 8115 C CB . ASP B 415 ? 0.4749 0.6366 0.4861 0.0556 -0.0333 -0.0837 497 ASP B CB 8116 C CG . ASP B 415 ? 0.5768 0.7387 0.5959 0.0547 -0.0354 -0.0900 497 ASP B CG 8117 O OD1 . ASP B 415 ? 0.6072 0.7610 0.6283 0.0508 -0.0365 -0.0895 497 ASP B OD1 8118 O OD2 . ASP B 415 ? 0.4236 0.5944 0.4471 0.0583 -0.0358 -0.0957 497 ASP B OD2 8119 N N . PRO B 416 ? 0.4576 0.6440 0.4734 0.0682 -0.0291 -0.0892 498 PRO B N 8120 C CA . PRO B 416 ? 0.3877 0.5252 0.3826 0.0488 -0.0254 -0.0632 498 PRO B CA 8121 C C . PRO B 416 ? 0.3789 0.5353 0.3705 0.0567 -0.0251 -0.0629 498 PRO B C 8122 O O . PRO B 416 ? 0.3250 0.4923 0.3187 0.0612 -0.0262 -0.0666 498 PRO B O 8123 C CB . PRO B 416 ? 0.3797 0.5064 0.3770 0.0451 -0.0241 -0.0610 498 PRO B CB 8124 C CG . PRO B 416 ? 0.2788 0.4109 0.3071 0.0483 -0.0200 -0.0612 498 PRO B CG 8125 C CD . PRO B 416 ? 0.3683 0.5082 0.4000 0.0509 -0.0216 -0.0664 498 PRO B CD 8126 N N . GLN B 417 ? 0.5121 0.6732 0.4984 0.0589 -0.0233 -0.0581 499 GLN B N 8127 C CA . GLN B 417 ? 0.5096 0.6881 0.4916 0.0663 -0.0222 -0.0551 499 GLN B CA 8128 C C . GLN B 417 ? 0.4269 0.6204 0.4089 0.0713 -0.0241 -0.0592 499 GLN B C 8129 O O . GLN B 417 ? 0.4791 0.6891 0.4585 0.0784 -0.0234 -0.0576 499 GLN B O 8130 C CB . GLN B 417 ? 0.5574 0.7410 0.5394 0.0700 -0.0208 -0.0529 499 GLN B CB 8131 C CG . GLN B 417 ? 0.6884 0.8591 0.6710 0.0658 -0.0191 -0.0491 499 GLN B CG 8132 C CD . GLN B 417 ? 0.6514 0.8270 0.6343 0.0694 -0.0178 -0.0472 499 GLN B CD 8133 O OE1 . GLN B 417 ? 0.6228 0.8115 0.6050 0.0753 -0.0180 -0.0487 499 GLN B OE1 8134 N NE2 . GLN B 417 ? 0.6641 0.8301 0.6476 0.0664 -0.0163 -0.0438 499 GLN B NE2 8135 N N . TRP B 418 ? 0.3627 0.5514 0.3475 0.0680 -0.0265 -0.0639 500 TRP B N 8136 C CA . TRP B 418 ? 0.4274 0.6316 0.4137 0.0730 -0.0288 -0.0688 500 TRP B CA 8137 C C . TRP B 418 ? 0.6464 0.8486 0.6311 0.0707 -0.0296 -0.0684 500 TRP B C 8138 O O . TRP B 418 ? 0.8994 1.1504 0.8985 0.0901 -0.0286 -0.0888 500 TRP B O 8139 C CB . TRP B 418 ? 0.3981 0.6033 0.3912 0.0733 -0.0315 -0.0767 500 TRP B CB 8140 C CG . TRP B 418 ? 0.4794 0.6950 0.4737 0.0787 -0.0310 -0.0794 500 TRP B CG 8141 C CD1 . TRP B 418 ? 0.5636 0.7699 0.5587 0.0760 -0.0296 -0.0775 500 TRP B CD1 8142 C CD2 . TRP B 418 ? 0.5534 0.7920 0.5479 0.0883 -0.0318 -0.0852 500 TRP B CD2 8143 N NE1 . TRP B 418 ? 0.5868 0.8080 0.5826 0.0829 -0.0295 -0.0812 500 TRP B NE1 8144 C CE2 . TRP B 418 ? 0.5457 0.7871 0.5406 0.0909 -0.0307 -0.0860 500 TRP B CE2 8145 C CE3 . TRP B 418 ? 0.6078 0.8667 0.6020 0.0958 -0.0331 -0.0902 500 TRP B CE3 8146 C CZ2 . TRP B 418 ? 0.5538 0.8154 0.5483 0.1003 -0.0299 -0.0907 500 TRP B CZ2 8147 C CZ3 . TRP B 418 ? 0.6090 0.8904 0.6022 0.1060 -0.0330 -0.0960 500 TRP B CZ3 8148 C CH2 . TRP B 418 ? 0.5813 0.8576 0.5759 0.1067 -0.0282 -0.0944 500 TRP B CH2 8149 N N . GLN B 419 ? 0.5642 0.7845 0.5477 0.0766 -0.0303 -0.0688 501 GLN B N 8150 C CA . GLN B 419 ? 0.5208 0.7427 0.5040 0.0752 -0.0315 -0.0690 501 GLN B CA 8151 C C . GLN B 419 ? 0.5689 0.8120 0.5602 0.0821 -0.0348 -0.0764 501 GLN B C 8152 O O . GLN B 419 ? 0.6617 0.9214 0.6544 0.0896 -0.0349 -0.0814 501 GLN B O 8153 C CB . GLN B 419 ? 0.5209 0.7488 0.4971 0.0767 -0.0287 -0.0626 501 GLN B CB 8154 C CG . GLN B 419 ? 0.4187 0.6333 0.3895 0.0731 -0.0242 -0.0567 501 GLN B CG 8155 C CD . GLN B 419 ? 0.4081 0.6317 0.3733 0.0754 -0.0206 -0.0508 501 GLN B CD 8156 O OE1 . GLN B 419 ? 0.3962 0.6288 0.3598 0.0794 -0.0190 -0.0451 501 GLN B OE1 8157 N NE2 . GLN B 419 ? 0.3776 0.6010 0.3401 0.0744 -0.0160 -0.0529 501 GLN B NE2 8158 N N . LEU B 420 ? 0.5650 0.8108 0.5623 0.0812 -0.0367 -0.0783 502 LEU B N 8159 C CA . LEU B 420 ? 0.5836 0.8561 0.5905 0.0909 -0.0378 -0.0887 502 LEU B CA 8160 C C . LEU B 420 ? 0.7306 1.0262 0.7412 0.0976 -0.0354 -0.0907 502 LEU B C 8161 O O . LEU B 420 ? 0.7564 1.0443 0.7726 0.0936 -0.0323 -0.0846 502 LEU B O 8162 C CB . LEU B 420 ? 0.4293 0.6924 0.4439 0.0880 -0.0399 -0.0948 502 LEU B CB 8163 C CG . LEU B 420 ? 0.4333 0.7211 0.4521 0.0985 -0.0415 -0.1102 502 LEU B CG 8164 C CD1 . LEU B 420 ? 0.5372 0.8119 0.5607 0.0949 -0.0438 -0.1146 502 LEU B CD1 8165 C CD2 . LEU B 420 ? 0.4455 0.7493 0.4680 0.1036 -0.0409 -0.1173 502 LEU B CD2 8166 N N . ALA B 421 ? 0.7845 1.1120 0.7907 0.1095 -0.0355 -0.1012 503 ALA B N 8167 C CA . ALA B 421 ? 0.7552 1.1127 0.7577 0.1176 -0.0341 -0.1071 503 ALA B CA 8168 C C . ALA B 421 ? 0.8630 1.2524 0.8602 0.1296 -0.0376 -0.1238 503 ALA B C 8169 O O . ALA B 421 ? 0.9226 1.3045 0.9157 0.1306 -0.0379 -0.1284 503 ALA B O 8170 C CB . ALA B 421 ? 0.6493 1.0162 0.6463 0.1191 -0.0308 -0.0973 503 ALA B CB 8171 N N . LEU B 422 ? 0.8071 1.1932 0.7814 0.1268 -0.0349 -0.1286 504 LEU B N 8172 C CA . LEU B 422 ? 0.7372 1.1033 0.6762 0.1229 -0.0323 -0.1385 504 LEU B CA 8173 C C . LEU B 422 ? 0.7746 1.1390 0.6924 0.1244 -0.0252 -0.1358 504 LEU B C 8174 O O . LEU B 422 ? 0.7723 1.1257 0.6812 0.1260 -0.0198 -0.1412 504 LEU B O 8175 C CB . LEU B 422 ? 0.6238 0.9800 0.5372 0.1154 -0.0364 -0.1425 504 LEU B CB 8176 C CG . LEU B 422 ? 0.5417 0.8758 0.4148 0.1100 -0.0359 -0.1527 504 LEU B CG 8177 C CD1 . LEU B 422 ? 0.5813 0.9021 0.4590 0.1120 -0.0341 -0.1632 504 LEU B CD1 8178 C CD2 . LEU B 422 ? 0.4506 0.7748 0.2989 0.1008 -0.0446 -0.1544 504 LEU B CD2 8179 N N . ASN B 423 ? 0.7141 1.0888 0.6237 0.1238 -0.0242 -0.1270 505 ASN B N 8180 C CA . ASN B 423 ? 0.6018 0.9765 0.4920 0.1253 -0.0169 -0.1228 505 ASN B CA 8181 C C . ASN B 423 ? 0.6020 0.9965 0.5140 0.1297 -0.0167 -0.1089 505 ASN B C 8182 O O . ASN B 423 ? 0.7444 1.1527 0.6769 0.1300 -0.0216 -0.1024 505 ASN B O 8183 C CB . ASN B 423 ? 0.4853 0.8498 0.3347 0.1188 -0.0166 -0.1254 505 ASN B CB 8184 N N . PRO B 424 ? 0.6183 1.0132 0.5256 0.1331 -0.0099 -0.1042 506 PRO B N 8185 C CA . PRO B 424 ? 0.6784 1.0891 0.6027 0.1370 -0.0101 -0.0904 506 PRO B CA 8186 C C . PRO B 424 ? 0.8527 1.2766 0.7710 0.1354 -0.0108 -0.0815 506 PRO B C 8187 O O . PRO B 424 ? 0.8326 1.2711 0.7680 0.1389 -0.0117 -0.0697 506 PRO B O 8188 C CB . PRO B 424 ? 0.5662 0.9684 0.4753 0.1391 -0.0001 -0.0896 506 PRO B CB 8189 C CG . PRO B 424 ? 0.5923 0.9766 0.4920 0.1380 0.0037 -0.1027 506 PRO B CG 8190 C CD . PRO B 424 ? 0.6503 1.0289 0.5377 0.1336 -0.0010 -0.1120 506 PRO B CD 8191 N N . SER B 425 ? 1.0377 1.4541 0.9293 0.1291 -0.0120 -0.0865 507 SER B N 8192 C CA . SER B 425 ? 1.1714 1.5963 1.0520 0.1251 -0.0148 -0.0775 507 SER B CA 8193 C C . SER B 425 ? 1.0436 1.4768 0.9456 0.1232 -0.0213 -0.0753 507 SER B C 8194 O O . SER B 425 ? 0.9633 1.4017 0.8562 0.1185 -0.0254 -0.0683 507 SER B O 8195 C CB . SER B 425 ? 1.3597 1.7693 1.1957 0.1173 -0.0162 -0.0823 507 SER B CB 8196 O OG . SER B 425 ? 1.4568 1.8509 1.2807 0.1123 -0.0216 -0.0943 507 SER B OG 8197 N N . TYR B 429 ? 0.6830 1.0232 0.6523 0.1045 0.0060 -0.0265 511 TYR B N 8198 C CA . TYR B 429 ? 0.8108 1.1369 0.7673 0.1026 -0.0147 -0.0160 511 TYR B CA 8199 C C . TYR B 429 ? 0.7863 1.0955 0.7438 0.1007 -0.0156 -0.0224 511 TYR B C 8200 O O . TYR B 429 ? 0.8030 1.0940 0.7579 0.0945 -0.0148 -0.0276 511 TYR B O 8201 C CB . TYR B 429 ? 0.8993 1.2191 0.8476 0.1010 -0.0052 -0.0064 511 TYR B CB 8202 C CG . TYR B 429 ? 1.0334 1.3597 0.9852 0.1067 -0.0067 0.0007 511 TYR B CG 8203 C CD1 . TYR B 429 ? 1.1460 1.4979 1.1040 0.1152 -0.0082 0.0042 511 TYR B CD1 8204 C CD2 . TYR B 429 ? 1.0136 1.3263 0.9650 0.1056 -0.0041 0.0038 511 TYR B CD2 8205 C CE1 . TYR B 429 ? 1.1704 1.5292 1.1274 0.1213 -0.0049 0.0103 511 TYR B CE1 8206 C CE2 . TYR B 429 ? 1.0332 1.3515 0.9857 0.1110 -0.0024 0.0102 511 TYR B CE2 8207 C CZ . TYR B 429 ? 1.1039 1.4438 1.0577 0.1186 -0.0023 0.0136 511 TYR B CZ 8208 O OH . TYR B 429 ? 1.0722 1.4186 1.0260 0.1246 0.0011 0.0207 511 TYR B OH 8209 N N . CYS B 430 ? 0.7239 1.0430 0.6842 0.1073 -0.0155 -0.0223 512 CYS B N 8210 C CA . CYS B 430 ? 0.7568 1.0657 0.7181 0.1069 -0.0167 -0.0288 512 CYS B CA 8211 C C . CYS B 430 ? 0.7425 1.0349 0.7011 0.1040 -0.0136 -0.0236 512 CYS B C 8212 O O . CYS B 430 ? 0.7756 1.0528 0.7357 0.0998 -0.0147 -0.0284 512 CYS B O 8213 C CB . CYS B 430 ? 0.7566 1.0884 0.7198 0.1169 -0.0170 -0.0341 512 CYS B CB 8214 S SG . CYS B 430 ? 0.5446 0.8960 0.5033 0.1265 -0.0122 -0.0239 512 CYS B SG 8215 N N . GLY B 431 ? 0.6480 0.9452 0.6041 0.1065 -0.0099 -0.0134 513 GLY B N 8216 C CA . GLY B 431 ? 0.6350 0.9211 0.5906 0.1055 -0.0068 -0.0073 513 GLY B CA 8217 C C . GLY B 431 ? 0.6905 0.9655 0.6455 0.1002 -0.0041 -0.0017 513 GLY B C 8218 O O . GLY B 431 ? 0.6220 0.8954 0.5772 0.1012 -0.0006 0.0073 513 GLY B O 8219 N N . SER B 432 ? 0.7794 1.0485 0.7343 0.0953 -0.0053 -0.0065 514 SER B N 8220 C CA . SER B 432 ? 0.7091 0.9722 0.6646 0.0919 -0.0025 -0.0021 514 SER B CA 8221 C C . SER B 432 ? 0.6441 0.8906 0.6019 0.0868 -0.0040 -0.0081 514 SER B C 8222 O O . SER B 432 ? 0.7578 0.9969 0.7165 0.0848 -0.0073 -0.0165 514 SER B O 8223 C CB . SER B 432 ? 0.6957 0.9701 0.6503 0.0917 -0.0010 -0.0016 514 SER B CB 8224 O OG . SER B 432 ? 0.7801 1.0696 0.7336 0.0956 0.0017 0.0069 514 SER B OG 8225 N N . GLY B 433 ? 0.4422 0.6839 0.4015 0.0849 -0.0018 -0.0034 515 GLY B N 8226 C CA . GLY B 433 ? 0.3824 0.6098 0.3441 0.0803 -0.0032 -0.0084 515 GLY B CA 8227 C C . GLY B 433 ? 0.3953 0.6217 0.3575 0.0777 -0.0050 -0.0163 515 GLY B C 8228 O O . GLY B 433 ? 0.3049 0.5436 0.2667 0.0793 -0.0035 -0.0146 515 GLY B O 8229 N N . PHE B 434 ? 0.4312 0.6443 0.3950 0.0739 -0.0079 -0.0243 516 PHE B N 8230 C CA . PHE B 434 ? 0.4408 0.6516 0.4058 0.0715 -0.0093 -0.0313 516 PHE B CA 8231 C C . PHE B 434 ? 0.4228 0.6177 0.3909 0.0666 -0.0105 -0.0352 516 PHE B C 8232 O O . PHE B 434 ? 0.4216 0.6071 0.3911 0.0647 -0.0105 -0.0333 516 PHE B O 8233 C CB . PHE B 434 ? 0.4215 0.6332 0.3856 0.0719 -0.0118 -0.0374 516 PHE B CB 8234 C CG . PHE B 434 ? 0.4011 0.6000 0.3677 0.0691 -0.0149 -0.0419 516 PHE B CG 8235 C CD1 . PHE B 434 ? 0.3415 0.5288 0.3109 0.0647 -0.0169 -0.0483 516 PHE B CD1 8236 C CD2 . PHE B 434 ? 0.3853 0.5859 0.3523 0.0713 -0.0152 -0.0393 516 PHE B CD2 8237 C CE1 . PHE B 434 ? 0.3130 0.5084 0.3237 0.0692 -0.0154 -0.0485 516 PHE B CE1 8238 C CE2 . PHE B 434 ? 0.3935 0.5860 0.3639 0.0694 -0.0175 -0.0438 516 PHE B CE2 8239 C CZ . PHE B 434 ? 0.4044 0.5856 0.3781 0.0646 -0.0198 -0.0499 516 PHE B CZ 8240 N N . HIS B 435 ? 0.2706 0.4636 0.2403 0.0648 -0.0111 -0.0406 517 HIS B N 8241 C CA . HIS B 435 ? 0.2034 0.3814 0.1764 0.0602 -0.0122 -0.0444 517 HIS B CA 8242 C C . HIS B 435 ? 0.2676 0.4444 0.2421 0.0591 -0.0131 -0.0508 517 HIS B C 8243 O O . HIS B 435 ? 0.3141 0.5040 0.2875 0.0625 -0.0125 -0.0525 517 HIS B O 8244 C CB . HIS B 435 ? 0.1921 0.3727 0.1664 0.0604 -0.0107 -0.0405 517 HIS B CB 8245 C CG . HIS B 435 ? 0.2466 0.4474 0.2203 0.0648 -0.0089 -0.0375 517 HIS B CG 8246 N ND1 . HIS B 435 ? 0.3245 0.5341 0.3004 0.0658 -0.0092 -0.0419 517 HIS B ND1 8247 C CD2 . HIS B 435 ? 0.1320 0.3483 0.1041 0.0687 -0.0067 -0.0299 517 HIS B CD2 8248 C CE1 . HIS B 435 ? 0.3293 0.5610 0.3051 0.0701 -0.0076 -0.0372 517 HIS B CE1 8249 N NE2 . HIS B 435 ? 0.1848 0.4200 0.1583 0.0716 -0.0059 -0.0293 517 HIS B NE2 8250 N N . GLY B 436 ? 0.3341 0.5174 0.3485 0.0612 -0.0151 -0.0498 518 GLY B N 8251 C CA . GLY B 436 ? 0.3581 0.5891 0.3579 0.0765 -0.0229 -0.0761 518 GLY B CA 8252 C C . GLY B 436 ? 0.4119 0.5891 0.4334 0.0601 -0.0185 -0.0603 518 GLY B C 8253 O O . GLY B 436 ? 0.3455 0.5049 0.3352 0.0540 -0.0218 -0.0711 518 GLY B O 8254 N N . SER B 437 ? 0.4751 0.6279 0.4614 0.0528 -0.0198 -0.0635 519 SER B N 8255 C CA . SER B 437 ? 0.3955 0.5954 0.4049 0.0702 -0.0265 -0.0838 519 SER B CA 8256 C C . SER B 437 ? 0.4866 0.6729 0.5013 0.0656 -0.0272 -0.0857 519 SER B C 8257 O O . SER B 437 ? 0.4907 0.6404 0.5168 0.0522 -0.0193 -0.0615 519 SER B O 8258 C CB . SER B 437 ? 0.3282 0.4688 0.3177 0.0501 -0.0204 -0.0636 519 SER B CB 8259 O OG . SER B 437 ? 0.4917 0.6984 0.4943 0.0738 -0.0249 -0.0777 519 SER B OG 8260 N N . ASP B 438 ? 0.4589 0.6363 0.4788 0.0632 -0.0285 -0.0891 520 ASP B N 8261 C CA . ASP B 438 ? 0.3982 0.5326 0.4320 0.0480 -0.0213 -0.0663 520 ASP B CA 8262 C C . ASP B 438 ? 0.4234 0.5348 0.4282 0.0398 -0.0217 -0.0676 520 ASP B C 8263 O O . ASP B 438 ? 0.4086 0.5602 0.4286 0.0544 -0.0256 -0.0796 520 ASP B O 8264 C CB . ASP B 438 ? 0.3304 0.4592 0.3677 0.0464 -0.0220 -0.0683 520 ASP B CB 8265 C CG . ASP B 438 ? 0.3362 0.4828 0.3732 0.0530 -0.0305 -0.0942 520 ASP B CG 8266 O OD1 . ASP B 438 ? 0.5370 0.6576 0.5789 0.0421 -0.0244 -0.0687 520 ASP B OD1 8267 O OD2 . ASP B 438 ? 0.2738 0.3717 0.2928 0.0370 -0.0225 -0.0761 520 ASP B OD2 8268 N N . ASN B 439 ? 0.3743 0.4825 0.3812 0.0385 -0.0217 -0.0680 521 ASN B N 8269 C CA . ASN B 439 ? 0.4000 0.5427 0.4239 0.0508 -0.0255 -0.0799 521 ASN B CA 8270 C C . ASN B 439 ? 0.4618 0.5904 0.4884 0.0463 -0.0249 -0.0772 521 ASN B C 8271 O O . ASN B 439 ? 0.4799 0.6012 0.5053 0.0438 -0.0236 -0.0731 521 ASN B O 8272 C CB . ASN B 439 ? 0.3422 0.4452 0.3494 0.0363 -0.0206 -0.0650 521 ASN B CB 8273 C CG . ASN B 439 ? 0.2842 0.3834 0.2967 0.0353 -0.0220 -0.0688 521 ASN B CG 8274 O OD1 . ASN B 439 ? 0.3072 0.4197 0.3467 0.0391 -0.0228 -0.0644 521 ASN B OD1 8275 N ND2 . ASN B 439 ? 0.1712 0.2701 0.1849 0.0350 -0.0222 -0.0698 521 ASN B ND2 8276 N N . LEU B 440 ? 0.4850 0.6105 0.5155 0.0454 -0.0258 -0.0796 522 LEU B N 8277 C CA . LEU B 440 ? 0.3932 0.4732 0.4084 0.0303 -0.0183 -0.0619 522 LEU B CA 8278 C C . LEU B 440 ? 0.4326 0.5129 0.4455 0.0303 -0.0177 -0.0598 522 LEU B C 8279 O O . LEU B 440 ? 0.4976 0.5846 0.5315 0.0304 -0.0187 -0.0524 522 LEU B O 8280 C CB . LEU B 440 ? 0.3463 0.4378 0.3871 0.0319 -0.0210 -0.0587 522 LEU B CB 8281 C CG . LEU B 440 ? 0.4376 0.5261 0.4812 0.0308 -0.0213 -0.0595 522 LEU B CG 8282 C CD1 . LEU B 440 ? 0.5019 0.5718 0.5307 0.0272 -0.0202 -0.0677 522 LEU B CD1 8283 C CD2 . LEU B 440 ? 0.4168 0.4985 0.4584 0.0285 -0.0200 -0.0558 522 LEU B CD2 8284 N N . PHE B 441 ? 0.3981 0.4998 0.4282 0.0370 -0.0178 -0.0546 523 PHE B N 8285 C CA . PHE B 441 ? 0.3463 0.4367 0.3517 0.0330 -0.0187 -0.0572 523 PHE B CA 8286 C C . PHE B 441 ? 0.3566 0.4543 0.3801 0.0360 -0.0157 -0.0478 523 PHE B C 8287 O O . PHE B 441 ? 0.4042 0.5020 0.4261 0.0360 -0.0153 -0.0464 523 PHE B O 8288 C CB . PHE B 441 ? 0.2872 0.4014 0.3120 0.0418 -0.0174 -0.0533 523 PHE B CB 8289 C CG . PHE B 441 ? 0.2575 0.3630 0.2608 0.0384 -0.0206 -0.0632 523 PHE B CG 8290 C CD1 . PHE B 441 ? 0.2663 0.3799 0.2995 0.0412 -0.0196 -0.0605 523 PHE B CD1 8291 C CD2 . PHE B 441 ? 0.4232 0.5539 0.4502 0.0475 -0.0193 -0.0595 523 PHE B CD2 8292 C CE1 . PHE B 441 ? 0.3480 0.4667 0.3846 0.0429 -0.0210 -0.0648 523 PHE B CE1 8293 C CE2 . PHE B 441 ? 0.4522 0.5881 0.4826 0.0493 -0.0208 -0.0640 523 PHE B CE2 8294 C CZ . PHE B 441 ? 0.3934 0.5231 0.4287 0.0469 -0.0216 -0.0668 523 PHE B CZ 8295 N N . SER B 442 ? 0.3176 0.4001 0.3201 0.0306 -0.0165 -0.0499 524 SER B N 8296 C CA . SER B 442 ? 0.3359 0.4236 0.3552 0.0329 -0.0138 -0.0416 524 SER B CA 8297 C C . SER B 442 ? 0.3825 0.4767 0.3968 0.0357 -0.0128 -0.0382 524 SER B C 8298 O O . SER B 442 ? 0.5119 0.5941 0.5061 0.0310 -0.0138 -0.0389 524 SER B O 8299 C CB . SER B 442 ? 0.4812 0.5838 0.4943 0.0386 -0.0183 -0.0547 524 SER B CB 8300 O OG . SER B 442 ? 0.4602 0.5329 0.4607 0.0273 -0.0145 -0.0399 524 SER B OG 8301 N N . ASN B 443 ? 0.4133 0.5085 0.4047 0.0357 -0.0149 -0.0412 525 ASN B N 8302 C CA . ASN B 443 ? 0.4202 0.5291 0.4076 0.0412 -0.0136 -0.0380 525 ASN B CA 8303 C C . ASN B 443 ? 0.3586 0.4714 0.3444 0.0419 -0.0134 -0.0389 525 ASN B C 8304 O O . ASN B 443 ? 0.4529 0.5782 0.4358 0.0463 -0.0120 -0.0357 525 ASN B O 8305 C CB . ASN B 443 ? 0.4040 0.5256 0.3884 0.0465 -0.0132 -0.0363 525 ASN B CB 8306 C CG . ASN B 443 ? 0.4141 0.5354 0.3996 0.0474 -0.0128 -0.0346 525 ASN B CG 8307 O OD1 . ASN B 443 ? 0.3450 0.4620 0.3316 0.0464 -0.0118 -0.0321 525 ASN B OD1 8308 N ND2 . ASN B 443 ? 0.5024 0.6292 0.4878 0.0498 -0.0135 -0.0363 525 ASN B ND2 8309 N N . MSE B 444 ? 0.2411 0.3464 0.2294 0.0388 -0.0142 -0.0431 526 MSE B N 8310 C CA . MSE B 444 ? 0.3169 0.4276 0.3048 0.0400 -0.0145 -0.0446 526 MSE B CA 8311 C C . MSE B 444 ? 0.3759 0.4922 0.3888 0.0419 -0.0128 -0.0397 526 MSE B C 8312 O O . MSE B 444 ? 0.3577 0.5074 0.3590 0.0529 -0.0174 -0.0549 526 MSE B O 8313 C CB . MSE B 444 ? 0.2617 0.3871 0.2786 0.0450 -0.0150 -0.0465 526 MSE B CB 8314 C CG . MSE B 444 ? 0.4350 0.5564 0.4243 0.0435 -0.0169 -0.0526 526 MSE B CG 8315 SE SE . MSE B 444 ? 0.6633 0.8000 0.6461 0.0481 -0.0156 -0.0493 526 MSE B SE 8316 C CE . MSE B 444 ? 0.0974 0.2375 0.0766 0.0501 -0.0138 -0.0422 526 MSE B CE 8317 N N . GLN B 445 ? 0.3803 0.4865 0.3930 0.0389 -0.0124 -0.0379 527 GLN B N 8318 C CA . GLN B 445 ? 0.3707 0.4599 0.3633 0.0327 -0.0129 -0.0403 527 GLN B CA 8319 C C . GLN B 445 ? 0.2806 0.3849 0.2714 0.0379 -0.0120 -0.0379 527 GLN B C 8320 O O . GLN B 445 ? 0.2606 0.3762 0.2487 0.0422 -0.0109 -0.0343 527 GLN B O 8321 C CB . GLN B 445 ? 0.3803 0.4589 0.3761 0.0293 -0.0131 -0.0394 527 GLN B CB 8322 C CG . GLN B 445 ? 0.3708 0.4539 0.3893 0.0309 -0.0131 -0.0395 527 GLN B CG 8323 C CD . GLN B 445 ? 0.4041 0.4773 0.4085 0.0269 -0.0153 -0.0466 527 GLN B CD 8324 O OE1 . GLN B 445 ? 0.3971 0.4955 0.4152 0.0361 -0.0188 -0.0574 527 GLN B OE1 8325 N NE2 . GLN B 445 ? 0.3829 0.4590 0.3892 0.0279 -0.0164 -0.0502 527 GLN B NE2 8326 N N . ALA B 446 ? 0.1996 0.3052 0.1918 0.0379 -0.0120 -0.0387 528 ALA B N 8327 C CA . ALA B 446 ? 0.1850 0.3074 0.1756 0.0431 -0.0108 -0.0354 528 ALA B CA 8328 C C . ALA B 446 ? 0.3814 0.5020 0.3731 0.0429 -0.0102 -0.0326 528 ALA B C 8329 O O . ALA B 446 ? 0.4820 0.5878 0.4762 0.0386 -0.0110 -0.0342 528 ALA B O 8330 C CB . ALA B 446 ? 0.2578 0.3889 0.2490 0.0447 -0.0112 -0.0380 528 ALA B CB 8331 N N . LEU B 447 ? 0.4080 0.5442 0.3990 0.0474 -0.0086 -0.0270 529 LEU B N 8332 C CA . LEU B 447 ? 0.2317 0.3621 0.2333 0.0457 -0.0072 -0.0194 529 LEU B CA 8333 C C . LEU B 447 ? 0.1843 0.3138 0.1924 0.0442 -0.0080 -0.0201 529 LEU B C 8334 O O . LEU B 447 ? 0.2832 0.4223 0.2914 0.0459 -0.0086 -0.0213 529 LEU B O 8335 C CB . LEU B 447 ? 0.2553 0.3960 0.2633 0.0488 -0.0044 -0.0078 529 LEU B CB 8336 C CG . LEU B 447 ? 0.2592 0.3964 0.2792 0.0478 -0.0028 0.0003 529 LEU B CG 8337 C CD1 . LEU B 447 ? 0.2287 0.3517 0.2507 0.0449 -0.0023 -0.0002 529 LEU B CD1 8338 C CD2 . LEU B 447 ? 0.3243 0.4745 0.3497 0.0515 -0.0005 0.0108 529 LEU B CD2 8339 N N . PHE B 448 ? 0.1752 0.2937 0.1893 0.0411 -0.0080 -0.0190 530 PHE B N 8340 C CA . PHE B 448 ? 0.1585 0.2767 0.1804 0.0400 -0.0084 -0.0176 530 PHE B CA 8341 C C . PHE B 448 ? 0.2292 0.3404 0.2608 0.0383 -0.0071 -0.0116 530 PHE B C 8342 O O . PHE B 448 ? 0.3224 0.4212 0.3525 0.0352 -0.0072 -0.0143 530 PHE B O 8343 C CB . PHE B 448 ? 0.1092 0.2193 0.1249 0.0375 -0.0106 -0.0279 530 PHE B CB 8344 C CG . PHE B 448 ? 0.1682 0.2784 0.1921 0.0365 -0.0109 -0.0260 530 PHE B CG 8345 C CD1 . PHE B 448 ? 0.2301 0.3292 0.2579 0.0334 -0.0108 -0.0257 530 PHE B CD1 8346 C CD2 . PHE B 448 ? 0.2415 0.3637 0.2699 0.0385 -0.0115 -0.0242 530 PHE B CD2 8347 C CE1 . PHE B 448 ? 0.2273 0.3273 0.2626 0.0328 -0.0111 -0.0236 530 PHE B CE1 8348 C CE2 . PHE B 448 ? 0.2097 0.3330 0.2469 0.0376 -0.0120 -0.0217 530 PHE B CE2 8349 C CZ . PHE B 448 ? 0.2015 0.3136 0.2418 0.0349 -0.0117 -0.0214 530 PHE B CZ 8350 N N . ILE B 449 ? 0.2452 0.3648 0.2873 0.0402 -0.0061 -0.0037 531 ILE B N 8351 C CA . ILE B 449 ? 0.1792 0.2934 0.2316 0.0389 -0.0051 0.0009 531 ILE B CA 8352 C C . ILE B 449 ? 0.2205 0.3415 0.2819 0.0397 -0.0059 0.0038 531 ILE B C 8353 O O . ILE B 449 ? 0.2234 0.3578 0.2890 0.0427 -0.0060 0.0089 531 ILE B O 8354 C CB . ILE B 449 ? 0.1972 0.3145 0.2544 0.0410 -0.0029 0.0084 531 ILE B CB 8355 C CG1 . ILE B 449 ? 0.1037 0.2136 0.1541 0.0399 -0.0021 0.0062 531 ILE B CG1 8356 C CG2 . ILE B 449 ? 0.0603 0.1733 0.1279 0.0402 -0.0020 0.0120 531 ILE B CG2 8357 C CD1 . ILE B 449 ? 0.1359 0.2477 0.1909 0.0416 0.0005 0.0135 531 ILE B CD1 8358 N N . GLY B 450 ? 0.3183 0.4305 0.3829 0.0370 -0.0065 0.0011 532 GLY B N 8359 C CA . GLY B 450 ? 0.0586 0.1767 0.1326 0.0376 -0.0073 0.0037 532 GLY B CA 8360 C C . GLY B 450 ? 0.3468 0.4626 0.4307 0.0378 -0.0061 0.0078 532 GLY B C 8361 O O . GLY B 450 ? 0.4429 0.5466 0.5271 0.0351 -0.0056 0.0052 532 GLY B O 8362 N N . TYR B 451 ? 0.2170 0.3448 0.3084 0.0411 -0.0057 0.0144 533 TYR B N 8363 C CA . TYR B 451 ? 0.2572 0.3850 0.3565 0.0422 -0.0044 0.0184 533 TYR B CA 8364 C C . TYR B 451 ? 0.3459 0.4844 0.4543 0.0441 -0.0052 0.0223 533 TYR B C 8365 O O . TYR B 451 ? 0.4773 0.6277 0.5877 0.0457 -0.0065 0.0251 533 TYR B O 8366 C CB . TYR B 451 ? 0.2418 0.3734 0.3414 0.0446 -0.0020 0.0249 533 TYR B CB 8367 C CG . TYR B 451 ? 0.1641 0.2963 0.2714 0.0461 -0.0001 0.0303 533 TYR B CG 8368 C CD1 . TYR B 451 ? 0.2298 0.3502 0.3364 0.0440 0.0011 0.0275 533 TYR B CD1 8369 C CD2 . TYR B 451 ? 0.2265 0.3715 0.3422 0.0495 0.0006 0.0384 533 TYR B CD2 8370 C CE1 . TYR B 451 ? 0.3455 0.4663 0.4588 0.0453 0.0033 0.0326 533 TYR B CE1 8371 C CE2 . TYR B 451 ? 0.3026 0.4480 0.4259 0.0510 0.0027 0.0436 533 TYR B CE2 8372 C CZ . TYR B 451 ? 0.4012 0.5343 0.5230 0.0490 0.0042 0.0407 533 TYR B CZ 8373 O OH . TYR B 451 ? 0.3681 0.5016 0.4977 0.0506 0.0065 0.0460 533 TYR B OH 8374 N N . GLY B 452 ? 0.3880 0.5231 0.5020 0.0440 -0.0045 0.0225 534 GLY B N 8375 C CA . GLY B 452 ? 0.4923 0.6375 0.6154 0.0459 -0.0050 0.0264 534 GLY B CA 8376 C C . GLY B 452 ? 0.5484 0.6861 0.6735 0.0440 -0.0053 0.0215 534 GLY B C 8377 O O . GLY B 452 ? 0.6600 0.7845 0.7795 0.0411 -0.0053 0.0151 534 GLY B O 8378 N N . PRO B 453 ? 0.4782 0.6250 0.6116 0.0457 -0.0057 0.0247 535 PRO B N 8379 C CA . PRO B 453 ? 0.3982 0.5400 0.5338 0.0444 -0.0059 0.0207 535 PRO B CA 8380 C C . PRO B 453 ? 0.1723 0.3056 0.3027 0.0408 -0.0080 0.0126 535 PRO B C 8381 O O . PRO B 453 ? 0.1839 0.3082 0.3127 0.0387 -0.0080 0.0073 535 PRO B O 8382 C CB . PRO B 453 ? 0.4643 0.6210 0.6107 0.0474 -0.0060 0.0273 535 PRO B CB 8383 C CG . PRO B 453 ? 0.4052 0.5738 0.5537 0.0490 -0.0074 0.0323 535 PRO B CG 8384 C CD . PRO B 453 ? 0.4020 0.5654 0.5436 0.0490 -0.0062 0.0327 535 PRO B CD 8385 N N . ALA B 454 ? 0.2083 0.3448 0.3364 0.0401 -0.0096 0.0123 536 ALA B N 8386 C CA . ALA B 454 ? 0.2930 0.4218 0.4173 0.0367 -0.0111 0.0071 536 ALA B CA 8387 C C . ALA B 454 ? 0.3250 0.4380 0.4398 0.0332 -0.0100 0.0036 536 ALA B C 8388 O O . ALA B 454 ? 0.3677 0.4721 0.4760 0.0301 -0.0096 0.0022 536 ALA B O 8389 C CB . ALA B 454 ? 0.2088 0.3487 0.3338 0.0374 -0.0130 0.0092 536 ALA B CB 8390 N N . PHE B 455 ? 0.2199 0.3307 0.3312 0.0340 -0.0090 0.0041 537 PHE B N 8391 C CA . PHE B 455 ? 0.2427 0.3407 0.3444 0.0309 -0.0077 0.0022 537 PHE B CA 8392 C C . PHE B 455 ? 0.2490 0.3345 0.3497 0.0284 -0.0060 0.0019 537 PHE B C 8393 O O . PHE B 455 ? 0.3919 0.4824 0.4976 0.0311 -0.0066 -0.0004 537 PHE B O 8394 C CB . PHE B 455 ? 0.2810 0.3835 0.3773 0.0327 -0.0076 0.0029 537 PHE B CB 8395 C CG . PHE B 455 ? 0.1668 0.2786 0.2587 0.0340 -0.0090 0.0026 537 PHE B CG 8396 C CD1 . PHE B 455 ? 0.1545 0.2607 0.2349 0.0319 -0.0097 -0.0031 537 PHE B CD1 8397 C CD2 . PHE B 455 ? 0.0611 0.1880 0.1590 0.0375 -0.0097 0.0073 537 PHE B CD2 8398 C CE1 . PHE B 455 ? 0.1716 0.2865 0.2486 0.0332 -0.0112 -0.0049 537 PHE B CE1 8399 C CE2 . PHE B 455 ? 0.0982 0.2343 0.1933 0.0383 -0.0113 0.0069 537 PHE B CE2 8400 C CZ . PHE B 455 ? 0.0962 0.2261 0.1814 0.0362 -0.0120 0.0006 537 PHE B CZ 8401 N N . LYS B 456 ? 0.1987 0.2759 0.2856 0.0258 -0.0041 0.0027 538 LYS B N 8402 C CA . LYS B 456 ? 0.2362 0.3072 0.3148 0.0249 -0.0024 0.0028 538 LYS B CA 8403 C C . LYS B 456 ? 0.2491 0.3202 0.3268 0.0259 -0.0003 0.0076 538 LYS B C 8404 O O . LYS B 456 ? 0.3363 0.4049 0.4264 0.0250 -0.0030 0.0027 538 LYS B O 8405 C CB . LYS B 456 ? 0.2626 0.3173 0.3285 0.0196 -0.0054 -0.0100 538 LYS B CB 8406 C CG . LYS B 456 ? 0.2888 0.3391 0.3516 0.0177 -0.0074 -0.0163 538 LYS B CG 8407 C CD . LYS B 456 ? 0.2051 0.2366 0.2569 0.0117 -0.0105 -0.0289 538 LYS B CD 8408 C CE . LYS B 456 ? 0.1683 0.1955 0.2177 0.0102 -0.0120 -0.0346 538 LYS B CE 8409 N NZ . LYS B 456 ? 0.3231 0.3369 0.3572 0.0055 -0.0096 -0.0288 538 LYS B NZ 8410 N N . HIS B 457 ? 0.2852 0.3562 0.3571 0.0272 -0.0012 0.0017 539 HIS B N 8411 C CA . HIS B 457 ? 0.2659 0.3373 0.3420 0.0286 -0.0019 -0.0010 539 HIS B CA 8412 C C . HIS B 457 ? 0.1812 0.2403 0.2524 0.0244 -0.0006 0.0001 539 HIS B C 8413 O O . HIS B 457 ? 0.2725 0.3169 0.3441 0.0188 -0.0007 -0.0022 539 HIS B O 8414 C CB . HIS B 457 ? 0.2598 0.3331 0.3481 0.0300 -0.0005 0.0027 539 HIS B CB 8415 C CG . HIS B 457 ? 0.2916 0.3758 0.3905 0.0335 -0.0010 0.0048 539 HIS B CG 8416 N ND1 . HIS B 457 ? 0.4388 0.5313 0.5449 0.0364 -0.0001 0.0111 539 HIS B ND1 8417 C CD2 . HIS B 457 ? 0.3352 0.4238 0.4378 0.0343 -0.0017 0.0040 539 HIS B CD2 8418 C CE1 . HIS B 457 ? 0.4616 0.5635 0.5752 0.0389 -0.0002 0.0144 539 HIS B CE1 8419 N NE2 . HIS B 457 ? 0.3877 0.4870 0.5005 0.0376 -0.0013 0.0097 539 HIS B NE2 8420 N N . GLY B 458 ? 0.3062 0.3673 0.3731 0.0253 -0.0006 0.0002 540 GLY B N 8421 C CA . GLY B 458 ? 0.3479 0.3965 0.4122 0.0208 -0.0004 -0.0011 540 GLY B CA 8422 C C . GLY B 458 ? 0.3049 0.3391 0.3632 0.0144 -0.0031 -0.0091 540 GLY B C 8423 O O . GLY B 458 ? 0.2960 0.3161 0.3520 0.0084 -0.0047 -0.0147 540 GLY B O 8424 N N . ALA B 459 ? 0.1468 0.1845 0.2024 0.0153 -0.0045 -0.0118 541 ALA B N 8425 C CA . ALA B 459 ? 0.1932 0.2184 0.2401 0.0101 -0.0083 -0.0234 541 ALA B CA 8426 C C . ALA B 459 ? 0.3219 0.3495 0.3626 0.0110 -0.0095 -0.0267 541 ALA B C 8427 O O . ALA B 459 ? 0.4250 0.4647 0.4669 0.0156 -0.0084 -0.0225 541 ALA B O 8428 C CB . ALA B 459 ? 0.2693 0.2956 0.3155 0.0104 -0.0095 -0.0264 541 ALA B CB 8429 N N . GLU B 460 ? 0.3418 0.3589 0.3750 0.0067 -0.0097 -0.0279 542 GLU B N 8430 C CA . GLU B 460 ? 0.3177 0.3362 0.3446 0.0073 -0.0096 -0.0276 542 GLU B CA 8431 C C . GLU B 460 ? 0.2145 0.2368 0.2443 0.0076 -0.0089 -0.0238 542 GLU B C 8432 O O . GLU B 460 ? 0.3404 0.3531 0.3661 0.0058 -0.0076 -0.0247 542 GLU B O 8433 C CB . GLU B 460 ? 0.3923 0.4080 0.4193 0.0061 -0.0088 -0.0256 542 GLU B CB 8434 C CG . GLU B 460 ? 0.5058 0.5216 0.5270 0.0071 -0.0079 -0.0252 542 GLU B CG 8435 C CD . GLU B 460 ? 0.5860 0.6027 0.6099 0.0063 -0.0086 -0.0252 542 GLU B CD 8436 O OE1 . GLU B 460 ? 0.5822 0.5967 0.6041 0.0064 -0.0074 -0.0243 542 GLU B OE1 8437 O OE2 . GLU B 460 ? 0.6149 0.6365 0.6479 0.0084 -0.0094 -0.0277 542 GLU B OE2 8438 N N . VAL B 461 ? 0.1619 0.1887 0.1904 0.0094 -0.0097 -0.0258 543 VAL B N 8439 C CA . VAL B 461 ? 0.1930 0.2205 0.2230 0.0095 -0.0100 -0.0267 543 VAL B CA 8440 C C . VAL B 461 ? 0.2421 0.2641 0.2643 0.0094 -0.0094 -0.0306 543 VAL B C 8441 O O . VAL B 461 ? 0.2405 0.2643 0.2606 0.0101 -0.0095 -0.0308 543 VAL B O 8442 C CB . VAL B 461 ? 0.1854 0.2163 0.2152 0.0108 -0.0106 -0.0285 543 VAL B CB 8443 C CG1 . VAL B 461 ? 0.1918 0.2211 0.2218 0.0103 -0.0104 -0.0278 543 VAL B CG1 8444 C CG2 . VAL B 461 ? 0.1201 0.1494 0.1383 0.0122 -0.0103 -0.0335 543 VAL B CG2 8445 N N . ASP B 462 ? 0.2478 0.2777 0.2794 0.0102 -0.0105 -0.0287 544 ASP B N 8446 C CA . ASP B 462 ? 0.2589 0.2827 0.2829 0.0101 -0.0101 -0.0331 544 ASP B CA 8447 C C . ASP B 462 ? 0.3033 0.3327 0.3252 0.0122 -0.0109 -0.0359 544 ASP B C 8448 O O . ASP B 462 ? 0.3772 0.4178 0.4073 0.0143 -0.0122 -0.0332 544 ASP B O 8449 C CB . ASP B 462 ? 0.4444 0.4667 0.4711 0.0095 -0.0101 -0.0334 544 ASP B CB 8450 C CG . ASP B 462 ? 0.6782 0.7091 0.7141 0.0102 -0.0111 -0.0307 544 ASP B CG 8451 O OD1 . ASP B 462 ? 0.7292 0.7623 0.7641 0.0110 -0.0114 -0.0315 544 ASP B OD1 8452 O OD2 . ASP B 462 ? 0.7817 0.8021 0.8114 0.0086 -0.0099 -0.0333 544 ASP B OD2 8453 N N . SER B 463 ? 0.2203 0.2613 0.2519 0.0143 -0.0124 -0.0340 545 SER B N 8454 C CA . SER B 463 ? 0.1896 0.2459 0.2219 0.0210 -0.0166 -0.0498 545 SER B CA 8455 C C . SER B 463 ? 0.2920 0.3427 0.3241 0.0178 -0.0140 -0.0384 545 SER B C 8456 O O . SER B 463 ? 0.3766 0.4143 0.3999 0.0153 -0.0129 -0.0426 545 SER B O 8457 C CB . SER B 463 ? 0.3886 0.4391 0.4194 0.0177 -0.0137 -0.0377 545 SER B CB 8458 O OG . SER B 463 ? 0.5730 0.6301 0.6101 0.0212 -0.0176 -0.0533 545 SER B OG 8459 N N . PHE B 464 ? 0.2718 0.3187 0.2891 0.0184 -0.0132 -0.0440 546 PHE B N 8460 C CA . PHE B 464 ? 0.2186 0.2794 0.2504 0.0212 -0.0151 -0.0421 546 PHE B CA 8461 C C . PHE B 464 ? 0.3017 0.3604 0.3166 0.0222 -0.0143 -0.0487 546 PHE B C 8462 O O . PHE B 464 ? 0.3194 0.4086 0.3442 0.0320 -0.0190 -0.0591 546 PHE B O 8463 C CB . PHE B 464 ? 0.2968 0.3451 0.3151 0.0187 -0.0135 -0.0454 546 PHE B CB 8464 C CG . PHE B 464 ? 0.3296 0.3907 0.3573 0.0212 -0.0140 -0.0394 546 PHE B CG 8465 C CD1 . PHE B 464 ? 0.2922 0.3539 0.3039 0.0224 -0.0135 -0.0455 546 PHE B CD1 8466 C CD2 . PHE B 464 ? 0.0449 0.0914 0.0589 0.0179 -0.0122 -0.0408 546 PHE B CD2 8467 C CE1 . PHE B 464 ? 0.2202 0.2978 0.2326 0.0273 -0.0144 -0.0475 546 PHE B CE1 8468 C CE2 . PHE B 464 ? 0.6930 0.7481 0.7058 0.0204 -0.0130 -0.0413 546 PHE B CE2 8469 C CZ . PHE B 464 ? 0.0506 0.1247 0.0633 0.0264 -0.0141 -0.0453 546 PHE B CZ 8470 N N . GLU B 465 ? 0.3963 0.4700 0.4289 0.0253 -0.0165 -0.0469 547 GLU B N 8471 C CA . GLU B 465 ? 0.4285 0.5288 0.4579 0.0353 -0.0213 -0.0673 547 GLU B CA 8472 C C . GLU B 465 ? 0.4734 0.5508 0.4830 0.0265 -0.0163 -0.0526 547 GLU B C 8473 O O . GLU B 465 ? 0.6039 0.6803 0.6151 0.0270 -0.0146 -0.0526 547 GLU B O 8474 C CB . GLU B 465 ? 0.4614 0.5334 0.4784 0.0265 -0.0168 -0.0581 547 GLU B CB 8475 C CG . GLU B 465 ? 0.5014 0.5702 0.5216 0.0260 -0.0174 -0.0595 547 GLU B CG 8476 C CD . GLU B 465 ? 0.5603 0.6295 0.5841 0.0265 -0.0186 -0.0630 547 GLU B CD 8477 O OE1 . GLU B 465 ? 0.6528 0.7358 0.6966 0.0286 -0.0204 -0.0575 547 GLU B OE1 8478 O OE2 . GLU B 465 ? 0.4770 0.5626 0.5219 0.0297 -0.0212 -0.0592 547 GLU B OE2 8479 N N . ASN B 466 ? 0.3661 0.4573 0.3741 0.0315 -0.0149 -0.0553 548 ASN B N 8480 C CA . ASN B 466 ? 0.3181 0.4322 0.3270 0.0373 -0.0158 -0.0576 548 ASN B CA 8481 C C . ASN B 466 ? 0.3522 0.4778 0.3649 0.0397 -0.0171 -0.0623 548 ASN B C 8482 O O . ASN B 466 ? 0.3346 0.4800 0.3485 0.0436 -0.0176 -0.0624 548 ASN B O 8483 C CB . ASN B 466 ? 0.1761 0.3066 0.1817 0.0416 -0.0155 -0.0570 548 ASN B CB 8484 C CG . ASN B 466 ? 0.2803 0.4117 0.2859 0.0420 -0.0159 -0.0602 548 ASN B CG 8485 O OD1 . ASN B 466 ? 0.3667 0.4858 0.3745 0.0391 -0.0162 -0.0624 548 ASN B OD1 8486 N ND2 . ASN B 466 ? 0.0855 0.2324 0.0885 0.0459 -0.0156 -0.0598 548 ASN B ND2 8487 N N . ILE B 467 ? 0.2643 0.3790 0.2793 0.0373 -0.0174 -0.0646 549 ILE B N 8488 C CA . ILE B 467 ? 0.3789 0.5042 0.3987 0.0396 -0.0190 -0.0699 549 ILE B CA 8489 C C . ILE B 467 ? 0.4525 0.5721 0.4752 0.0378 -0.0192 -0.0695 549 ILE B C 8490 O O . ILE B 467 ? 0.5383 0.6700 0.5654 0.0401 -0.0208 -0.0741 549 ILE B O 8491 C CB . ILE B 467 ? 0.2280 0.3443 0.2497 0.0381 -0.0192 -0.0723 549 ILE B CB 8492 C CG1 . ILE B 467 ? 0.1984 0.2876 0.2179 0.0317 -0.0171 -0.0663 549 ILE B CG1 8493 C CG2 . ILE B 467 ? 0.1527 0.2764 0.1722 0.0404 -0.0192 -0.0737 549 ILE B CG2 8494 C CD1 . ILE B 467 ? 0.1611 0.2612 0.2041 0.0328 -0.0210 -0.0620 549 ILE B CD1 8495 N N . GLU B 468 ? 0.3421 0.4450 0.3627 0.0338 -0.0178 -0.0642 550 GLU B N 8496 C CA . GLU B 468 ? 0.3628 0.4594 0.3860 0.0319 -0.0179 -0.0633 550 GLU B CA 8497 C C . GLU B 468 ? 0.4190 0.5342 0.4447 0.0355 -0.0187 -0.0625 550 GLU B C 8498 O O . GLU B 468 ? 0.5163 0.6310 0.5498 0.0338 -0.0192 -0.0576 550 GLU B O 8499 C CB . GLU B 468 ? 0.3404 0.4135 0.3604 0.0258 -0.0158 -0.0562 550 GLU B CB 8500 C CG . GLU B 468 ? 0.3095 0.3849 0.3459 0.0251 -0.0171 -0.0496 550 GLU B CG 8501 C CD . GLU B 468 ? 0.4203 0.5082 0.4621 0.0309 -0.0224 -0.0710 550 GLU B CD 8502 O OE1 . GLU B 468 ? 0.5023 0.5891 0.5448 0.0302 -0.0222 -0.0707 550 GLU B OE1 8503 O OE2 . GLU B 468 ? 0.4470 0.5346 0.4923 0.0313 -0.0236 -0.0734 550 GLU B OE2 8504 N N . VAL B 469 ? 0.3657 0.4920 0.3925 0.0373 -0.0184 -0.0561 551 VAL B N 8505 C CA . VAL B 469 ? 0.4647 0.6021 0.5025 0.0374 -0.0185 -0.0431 551 VAL B CA 8506 C C . VAL B 469 ? 0.4376 0.5902 0.4898 0.0373 -0.0210 -0.0357 551 VAL B C 8507 O O . VAL B 469 ? 0.4070 0.5646 0.4700 0.0366 -0.0217 -0.0268 551 VAL B O 8508 C CB . VAL B 469 ? 0.2010 0.3456 0.2362 0.0395 -0.0174 -0.0387 551 VAL B CB 8509 C CG1 . VAL B 469 ? 0.0762 0.2387 0.1244 0.0409 -0.0186 -0.0271 551 VAL B CG1 8510 C CG2 . VAL B 469 ? 0.3302 0.4626 0.3602 0.0383 -0.0157 -0.0382 551 VAL B CG2 8511 N N . TYR B 470 ? 0.4360 0.5959 0.4891 0.0379 -0.0229 -0.0394 552 TYR B N 8512 C CA . TYR B 470 ? 0.4457 0.6203 0.5131 0.0368 -0.0269 -0.0324 552 TYR B CA 8513 C C . TYR B 470 ? 0.4079 0.5788 0.4839 0.0344 -0.0278 -0.0289 552 TYR B C 8514 O O . TYR B 470 ? 0.3002 0.4816 0.3893 0.0335 -0.0303 -0.0194 552 TYR B O 8515 C CB . TYR B 470 ? 0.5145 0.6944 0.5814 0.0370 -0.0293 -0.0384 552 TYR B CB 8516 C CG . TYR B 470 ? 0.4876 0.6818 0.5699 0.0346 -0.0351 -0.0312 552 TYR B CG 8517 C CD1 . TYR B 470 ? 0.4884 0.6997 0.5810 0.0343 -0.0393 -0.0221 552 TYR B CD1 8518 C CD2 . TYR B 470 ? 0.4680 0.6581 0.5547 0.0323 -0.0371 -0.0335 552 TYR B CD2 8519 C CE1 . TYR B 470 ? 0.4356 0.6594 0.5424 0.0313 -0.0462 -0.0160 552 TYR B CE1 8520 C CE2 . TYR B 470 ? 0.4494 0.6525 0.5508 0.0292 -0.0437 -0.0264 552 TYR B CE2 8521 C CZ . TYR B 470 ? 0.3801 0.5996 0.4914 0.0285 -0.0486 -0.0180 552 TYR B CZ 8522 O OH . TYR B 470 ? 0.3058 0.5374 0.4316 0.0250 -0.0564 -0.0118 552 TYR B OH 8523 N N . ASN B 471 ? 0.3474 0.5032 0.4158 0.0334 -0.0260 -0.0370 553 ASN B N 8524 C CA . ASN B 471 ? 0.2148 0.3663 0.2898 0.0312 -0.0264 -0.0342 553 ASN B CA 8525 C C . ASN B 471 ? 0.2154 0.3646 0.2937 0.0310 -0.0247 -0.0274 553 ASN B C 8526 O O . ASN B 471 ? 0.2086 0.3625 0.2982 0.0298 -0.0259 -0.0206 553 ASN B O 8527 C CB . ASN B 471 ? 0.2388 0.3731 0.3037 0.0306 -0.0247 -0.0454 553 ASN B CB 8528 C CG . ASN B 471 ? 0.2989 0.4353 0.3636 0.0311 -0.0265 -0.0517 553 ASN B CG 8529 O OD1 . ASN B 471 ? 0.4192 0.5716 0.4947 0.0304 -0.0303 -0.0456 553 ASN B OD1 8530 N ND2 . ASN B 471 ? 0.2332 0.3534 0.2869 0.0320 -0.0245 -0.0641 553 ASN B ND2 8531 N N . LEU B 472 ? 0.2510 0.3929 0.3203 0.0321 -0.0221 -0.0295 554 LEU B N 8532 C CA . LEU B 472 ? 0.2619 0.4013 0.3349 0.0320 -0.0206 -0.0231 554 LEU B CA 8533 C C . LEU B 472 ? 0.2691 0.4250 0.3574 0.0332 -0.0224 -0.0123 554 LEU B C 8534 O O . LEU B 472 ? 0.3047 0.4621 0.4026 0.0329 -0.0225 -0.0068 554 LEU B O 8535 C CB . LEU B 472 ? 0.0627 0.1931 0.1244 0.0327 -0.0183 -0.0265 554 LEU B CB 8536 C CG . LEU B 472 ? 0.3135 0.4425 0.3806 0.0328 -0.0168 -0.0193 554 LEU B CG 8537 C CD1 . LEU B 472 ? 0.3447 0.4634 0.4133 0.0306 -0.0161 -0.0198 554 LEU B CD1 8538 C CD2 . LEU B 472 ? 0.3596 0.4824 0.4176 0.0334 -0.0152 -0.0214 554 LEU B CD2 8539 N N . MSE B 473 ? 0.3828 0.5512 0.4732 0.0348 -0.0242 -0.0102 555 MSE B N 8540 C CA . MSE B 473 ? 0.4877 0.6723 0.5912 0.0361 -0.0265 -0.0013 555 MSE B CA 8541 C C . MSE B 473 ? 0.5136 0.7077 0.6304 0.0346 -0.0304 0.0023 555 MSE B C 8542 O O . MSE B 473 ? 0.5338 0.7384 0.6619 0.0355 -0.0320 0.0090 555 MSE B O 8543 C CB . MSE B 473 ? 0.4385 0.6341 0.5395 0.0379 -0.0278 -0.0002 555 MSE B CB 8544 C CG . MSE B 473 ? 0.4136 0.6031 0.5041 0.0398 -0.0242 -0.0015 555 MSE B CG 8545 SE SE . MSE B 473 ? 0.7777 0.9839 0.8665 0.0425 -0.0255 0.0017 555 MSE B SE 8546 C CE . MSE B 473 ? 0.9694 1.1759 1.0512 0.0412 -0.0277 -0.0082 555 MSE B CE 8547 N N . CYS B 474 ? 0.3987 0.5896 0.5139 0.0325 -0.0320 -0.0023 556 CYS B N 8548 C CA . CYS B 474 ? 0.3574 0.5559 0.4851 0.0306 -0.0360 0.0008 556 CYS B CA 8549 C C . CYS B 474 ? 0.4221 0.6141 0.5546 0.0302 -0.0340 0.0027 556 CYS B C 8550 O O . CYS B 474 ? 0.4764 0.6785 0.6214 0.0301 -0.0365 0.0074 556 CYS B O 8551 C CB . CYS B 474 ? 0.3008 0.4961 0.4252 0.0283 -0.0379 -0.0046 556 CYS B CB 8552 S SG . CYS B 474 ? 0.4295 0.6355 0.5519 0.0284 -0.0418 -0.0067 556 CYS B SG 8553 N N . ASP B 475 ? 0.4162 0.5921 0.5380 0.0300 -0.0296 -0.0015 557 ASP B N 8554 C CA . ASP B 475 ? 0.3760 0.5447 0.5012 0.0295 -0.0276 -0.0001 557 ASP B CA 8555 C C . ASP B 475 ? 0.4382 0.6127 0.5706 0.0319 -0.0268 0.0051 557 ASP B C 8556 O O . ASP B 475 ? 0.5896 0.7657 0.7300 0.0322 -0.0265 0.0074 557 ASP B O 8557 C CB . ASP B 475 ? 0.3813 0.5316 0.4914 0.0284 -0.0238 -0.0065 557 ASP B CB 8558 C CG . ASP B 475 ? 0.4646 0.6084 0.5663 0.0267 -0.0242 -0.0136 557 ASP B CG 8559 O OD1 . ASP B 475 ? 0.4473 0.6001 0.5582 0.0257 -0.0273 -0.0112 557 ASP B OD1 8560 O OD2 . ASP B 475 ? 0.4002 0.5293 0.4868 0.0265 -0.0220 -0.0226 557 ASP B OD2 8561 N N . LEU B 476 ? 0.3888 0.5671 0.5178 0.0339 -0.0262 0.0066 558 LEU B N 8562 C CA . LEU B 476 ? 0.3946 0.5791 0.5290 0.0365 -0.0250 0.0119 558 LEU B CA 8563 C C . LEU B 476 ? 0.5159 0.7200 0.6627 0.0380 -0.0281 0.0186 558 LEU B C 8564 O O . LEU B 476 ? 0.5882 0.7992 0.7416 0.0401 -0.0272 0.0240 558 LEU B O 8565 C CB . LEU B 476 ? 0.3819 0.5635 0.5080 0.0380 -0.0230 0.0119 558 LEU B CB 8566 C CG . LEU B 476 ? 0.2986 0.4622 0.4123 0.0366 -0.0199 0.0063 558 LEU B CG 8567 C CD1 . LEU B 476 ? 0.2691 0.4331 0.3765 0.0384 -0.0183 0.0074 558 LEU B CD1 8568 C CD2 . LEU B 476 ? 0.1940 0.3475 0.3104 0.0357 -0.0180 0.0061 558 LEU B CD2 8569 N N . LEU B 477 ? 0.4488 0.6621 0.5985 0.0367 -0.0320 0.0186 559 LEU B N 8570 C CA . LEU B 477 ? 0.3330 0.5658 0.4944 0.0374 -0.0358 0.0253 559 LEU B CA 8571 C C . LEU B 477 ? 0.3022 0.5399 0.4721 0.0353 -0.0387 0.0253 559 LEU B C 8572 O O . LEU B 477 ? 0.3737 0.6280 0.5539 0.0351 -0.0423 0.0310 559 LEU B O 8573 C CB . LEU B 477 ? 0.2918 0.5345 0.4520 0.0372 -0.0392 0.0264 559 LEU B CB 8574 C CG . LEU B 477 ? 0.2367 0.4783 0.3893 0.0394 -0.0368 0.0275 559 LEU B CG 8575 C CD1 . LEU B 477 ? 0.1726 0.4241 0.3237 0.0388 -0.0405 0.0275 559 LEU B CD1 8576 C CD2 . LEU B 477 ? 0.3346 0.5842 0.4934 0.0423 -0.0352 0.0354 559 LEU B CD2 8577 N N . GLY B 478 ? 0.2420 0.4658 0.4076 0.0335 -0.0371 0.0194 560 GLY B N 8578 C CA . GLY B 478 ? 0.2509 0.4782 0.4239 0.0314 -0.0395 0.0190 560 GLY B CA 8579 C C . GLY B 478 ? 0.1811 0.4178 0.3582 0.0290 -0.0450 0.0188 560 GLY B C 8580 O O . GLY B 478 ? 0.2292 0.4801 0.4167 0.0279 -0.0489 0.0229 560 GLY B O 8581 N N . LEU B 479 ? 0.1518 0.3810 0.3205 0.0280 -0.0455 0.0144 561 LEU B N 8582 C CA . LEU B 479 ? 0.2688 0.5062 0.4407 0.0256 -0.0512 0.0137 561 LEU B CA 8583 C C . LEU B 479 ? 0.3764 0.6009 0.5429 0.0230 -0.0512 0.0078 561 LEU B C 8584 O O . LEU B 479 ? 0.4454 0.6542 0.6005 0.0235 -0.0461 0.0037 561 LEU B O 8585 C CB . LEU B 479 ? 0.1069 0.3498 0.2739 0.0268 -0.0523 0.0144 561 LEU B CB 8586 C CG . LEU B 479 ? 0.1562 0.4119 0.3274 0.0295 -0.0521 0.0212 561 LEU B CG 8587 C CD1 . LEU B 479 ? 0.1518 0.4108 0.3164 0.0305 -0.0528 0.0209 561 LEU B CD1 8588 C CD2 . LEU B 479 ? 0.2529 0.5273 0.4378 0.0284 -0.0573 0.0281 561 LEU B CD2 8589 N N . ILE B 480 ? 0.3918 0.6238 0.5660 0.0201 -0.0572 0.0079 562 ILE B N 8590 C CA . ILE B 480 ? 0.4323 0.6541 0.6016 0.0175 -0.0580 0.0034 562 ILE B CA 8591 C C . ILE B 480 ? 0.4522 0.6730 0.6121 0.0178 -0.0584 0.0001 562 ILE B C 8592 O O . ILE B 480 ? 0.5668 0.8002 0.7323 0.0169 -0.0643 0.0020 562 ILE B O 8593 C CB . ILE B 480 ? 0.4521 0.6825 0.6338 0.0140 -0.0652 0.0046 562 ILE B CB 8594 C CG1 . ILE B 480 ? 0.4212 0.6560 0.6117 0.0143 -0.0643 0.0069 562 ILE B CG1 8595 C CG2 . ILE B 480 ? 0.4400 0.6600 0.6164 0.0111 -0.0662 0.0011 562 ILE B CG2 8596 C CD1 . ILE B 480 ? 0.4310 0.6495 0.6146 0.0154 -0.0574 0.0051 562 ILE B CD1 8597 N N . PRO B 481 ? 0.3817 0.5881 0.5260 0.0193 -0.0521 -0.0060 563 PRO B N 8598 C CA . PRO B 481 ? 0.2831 0.4884 0.4164 0.0209 -0.0510 -0.0115 563 PRO B CA 8599 C C . PRO B 481 ? 0.2033 0.4136 0.3393 0.0182 -0.0568 -0.0139 563 PRO B C 8600 O O . PRO B 481 ? 0.2161 0.4230 0.3554 0.0156 -0.0589 -0.0146 563 PRO B O 8601 C CB . PRO B 481 ? 0.0869 0.2738 0.2031 0.0234 -0.0431 -0.0204 563 PRO B CB 8602 C CG . PRO B 481 ? 0.2583 0.4370 0.3764 0.0217 -0.0419 -0.0203 563 PRO B CG 8603 C CD . PRO B 481 ? 0.3343 0.5250 0.4694 0.0199 -0.0459 -0.0099 563 PRO B CD 8604 N N . ALA B 482 ? 0.1221 0.3405 0.2566 0.0188 -0.0598 -0.0147 564 ALA B N 8605 C CA . ALA B 482 ? 0.1986 0.4208 0.3336 0.0164 -0.0656 -0.0179 564 ALA B CA 8606 C C . ALA B 482 ? 0.2732 0.4803 0.3938 0.0191 -0.0592 -0.0295 564 ALA B C 8607 O O . ALA B 482 ? 0.0993 0.2943 0.2080 0.0232 -0.0511 -0.0355 564 ALA B O 8608 C CB . ALA B 482 ? 0.1204 0.3550 0.2563 0.0168 -0.0702 -0.0163 564 ALA B CB 8609 N N . PRO B 483 ? 0.1112 0.3178 0.2329 0.0169 -0.0635 -0.0333 565 PRO B N 8610 C CA . PRO B 483 ? 0.2829 0.4746 0.3928 0.0206 -0.0579 -0.0461 565 PRO B CA 8611 C C . PRO B 483 ? 0.2269 0.4140 0.3243 0.0262 -0.0521 -0.0547 565 PRO B C 8612 O O . PRO B 483 ? 0.3261 0.5231 0.4243 0.0261 -0.0560 -0.0549 565 PRO B O 8613 C CB . PRO B 483 ? 0.1156 0.3127 0.2318 0.0166 -0.0661 -0.0463 565 PRO B CB 8614 C CG . PRO B 483 ? 0.3051 0.5147 0.4360 0.0097 -0.0752 -0.0335 565 PRO B CG 8615 C CD . PRO B 483 ? 0.1213 0.3396 0.2565 0.0106 -0.0748 -0.0262 565 PRO B CD 8616 N N . ASN B 484 ? 0.1843 0.3565 0.2703 0.0302 -0.0439 -0.0616 566 ASN B N 8617 C CA . ASN B 484 ? 0.2466 0.4134 0.3202 0.0350 -0.0387 -0.0698 566 ASN B CA 8618 C C . ASN B 484 ? 0.2354 0.3818 0.2972 0.0390 -0.0329 -0.0843 566 ASN B C 8619 O O . ASN B 484 ? 0.0881 0.2247 0.1521 0.0388 -0.0330 -0.0885 566 ASN B O 8620 C CB . ASN B 484 ? 0.2332 0.4019 0.3032 0.0353 -0.0358 -0.0638 566 ASN B CB 8621 C CG . ASN B 484 ? 0.3956 0.5513 0.4627 0.0343 -0.0324 -0.0630 566 ASN B CG 8622 O OD1 . ASN B 484 ? 0.6009 0.7543 0.6747 0.0319 -0.0341 -0.0606 566 ASN B OD1 8623 N ND2 . ASN B 484 ? 0.3212 0.4688 0.3786 0.0358 -0.0284 -0.0646 566 ASN B ND2 8624 N N . ASN B 485 ? 0.2341 0.3741 0.2838 0.0426 -0.0285 -0.0916 567 ASN B N 8625 C CA . ASN B 485 ? 0.3348 0.4495 0.3788 0.0394 -0.0252 -0.0885 567 ASN B CA 8626 C C . ASN B 485 ? 0.4393 0.5341 0.4770 0.0342 -0.0218 -0.0789 567 ASN B C 8627 O O . ASN B 485 ? 0.5668 0.6415 0.5988 0.0295 -0.0188 -0.0713 567 ASN B O 8628 C CB . ASN B 485 ? 0.2996 0.4142 0.3395 0.0402 -0.0243 -0.0878 567 ASN B CB 8629 C CG . ASN B 485 ? 0.3308 0.4620 0.3772 0.0450 -0.0277 -0.0970 567 ASN B CG 8630 O OD1 . ASN B 485 ? 0.3004 0.4505 0.3467 0.0490 -0.0292 -0.1017 567 ASN B OD1 8631 N ND2 . ASN B 485 ? 0.4588 0.5841 0.5108 0.0448 -0.0293 -0.0998 567 ASN B ND2 8632 N N . GLY B 486 ? 0.3339 0.4369 0.3720 0.0351 -0.0223 -0.0793 568 GLY B N 8633 C CA . GLY B 486 ? 0.4019 0.4890 0.4354 0.0307 -0.0198 -0.0716 568 GLY B CA 8634 C C . GLY B 486 ? 0.4274 0.5044 0.4632 0.0281 -0.0195 -0.0695 568 GLY B C 8635 O O . GLY B 486 ? 0.3285 0.4173 0.3714 0.0309 -0.0220 -0.0760 568 GLY B O 8636 N N . SER B 487 ? 0.3589 0.4332 0.4069 0.0248 -0.0196 -0.0562 569 SER B N 8637 C CA . SER B 487 ? 0.3077 0.3757 0.3577 0.0229 -0.0195 -0.0549 569 SER B CA 8638 C C . SER B 487 ? 0.2900 0.3449 0.3235 0.0214 -0.0166 -0.0593 569 SER B C 8639 O O . SER B 487 ? 0.3639 0.4278 0.4089 0.0211 -0.0175 -0.0503 569 SER B O 8640 C CB . SER B 487 ? 0.3542 0.4018 0.3901 0.0195 -0.0176 -0.0582 569 SER B CB 8641 O OG . SER B 487 ? 0.3922 0.4409 0.4299 0.0203 -0.0185 -0.0604 569 SER B OG 8642 N N . HIS B 488 ? 0.2752 0.3437 0.3171 0.0248 -0.0195 -0.0668 570 HIS B N 8643 C CA . HIS B 488 ? 0.3372 0.4176 0.3836 0.0271 -0.0212 -0.0708 570 HIS B CA 8644 C C . HIS B 488 ? 0.3771 0.4420 0.4207 0.0229 -0.0190 -0.0638 570 HIS B C 8645 O O . HIS B 488 ? 0.3379 0.3922 0.3810 0.0203 -0.0179 -0.0604 570 HIS B O 8646 C CB . HIS B 488 ? 0.2973 0.3949 0.3571 0.0274 -0.0241 -0.0661 570 HIS B CB 8647 C CG . HIS B 488 ? 0.3476 0.4597 0.4182 0.0258 -0.0254 -0.0526 570 HIS B CG 8648 N ND1 . HIS B 488 ? 0.3752 0.5018 0.4603 0.0239 -0.0286 -0.0429 570 HIS B ND1 8649 C CD2 . HIS B 488 ? 0.4236 0.5380 0.4941 0.0259 -0.0241 -0.0468 570 HIS B CD2 8650 C CE1 . HIS B 488 ? 0.3735 0.5098 0.4670 0.0232 -0.0291 -0.0326 570 HIS B CE1 8651 N NE2 . HIS B 488 ? 0.0640 0.1932 0.1490 0.0247 -0.0261 -0.0347 570 HIS B NE2 8652 N N . GLY B 489 ? 0.3882 0.4534 0.4296 0.0226 -0.0185 -0.0618 571 GLY B N 8653 C CA . GLY B 489 ? 0.3841 0.4372 0.4232 0.0191 -0.0167 -0.0559 571 GLY B CA 8654 C C . GLY B 489 ? 0.2978 0.3475 0.3406 0.0164 -0.0151 -0.0430 571 GLY B C 8655 O O . GLY B 489 ? 0.2115 0.2563 0.2541 0.0148 -0.0144 -0.0406 571 GLY B O 8656 N N . SER B 490 ? 0.2372 0.2971 0.2845 0.0215 -0.0194 -0.0602 572 SER B N 8657 C CA . SER B 490 ? 0.2262 0.2742 0.2684 0.0162 -0.0151 -0.0421 572 SER B CA 8658 C C . SER B 490 ? 0.3400 0.3764 0.3676 0.0146 -0.0132 -0.0444 572 SER B C 8659 O O . SER B 490 ? 0.3789 0.4221 0.4177 0.0147 -0.0138 -0.0383 572 SER B O 8660 C CB . SER B 490 ? 0.2553 0.2946 0.2859 0.0159 -0.0145 -0.0485 572 SER B CB 8661 O OG . SER B 490 ? 0.3497 0.3950 0.3773 0.0177 -0.0148 -0.0504 572 SER B OG 8662 N N . LEU B 491 ? 0.3602 0.4114 0.3970 0.0171 -0.0143 -0.0408 573 LEU B N 8663 C CA . LEU B 491 ? 0.3247 0.3701 0.3498 0.0169 -0.0138 -0.0456 573 LEU B CA 8664 C C . LEU B 491 ? 0.3773 0.4262 0.4074 0.0177 -0.0148 -0.0475 573 LEU B C 8665 O O . LEU B 491 ? 0.3891 0.4483 0.4219 0.0209 -0.0161 -0.0503 573 LEU B O 8666 C CB . LEU B 491 ? 0.3989 0.4633 0.4256 0.0226 -0.0158 -0.0517 573 LEU B CB 8667 C CG . LEU B 491 ? 0.4315 0.4941 0.4541 0.0222 -0.0151 -0.0504 573 LEU B CG 8668 C CD1 . LEU B 491 ? 0.3264 0.4104 0.3485 0.0283 -0.0165 -0.0546 573 LEU B CD1 8669 C CD2 . LEU B 491 ? 0.4857 0.5528 0.5177 0.0240 -0.0175 -0.0545 573 LEU B CD2 8670 N N . ASN B 492 ? 0.3877 0.4290 0.4183 0.0153 -0.0140 -0.0453 574 ASN B N 8671 C CA . ASN B 492 ? 0.2313 0.2749 0.2673 0.0159 -0.0149 -0.0472 574 ASN B CA 8672 C C . ASN B 492 ? 0.2447 0.2805 0.2789 0.0134 -0.0136 -0.0426 574 ASN B C 8673 O O . ASN B 492 ? 0.4461 0.4873 0.4868 0.0151 -0.0150 -0.0461 574 ASN B O 8674 C CB . ASN B 492 ? 0.1092 0.1452 0.1446 0.0135 -0.0138 -0.0445 574 ASN B CB 8675 C CG . ASN B 492 ? 0.2621 0.3113 0.3047 0.0173 -0.0163 -0.0525 574 ASN B CG 8676 O OD1 . ASN B 492 ? 0.3080 0.3739 0.3571 0.0205 -0.0171 -0.0494 574 ASN B OD1 8677 N ND2 . ASN B 492 ? 0.5036 0.5471 0.5466 0.0156 -0.0157 -0.0508 574 ASN B ND2 8678 N N . HIS B 493 ? 0.0376 0.0632 0.0650 0.0107 -0.0110 -0.0364 575 HIS B N 8679 C CA . HIS B 493 ? 0.1425 0.1730 0.1787 0.0102 -0.0112 -0.0307 575 HIS B CA 8680 C C . HIS B 493 ? 0.1885 0.2163 0.2189 0.0108 -0.0120 -0.0365 575 HIS B C 8681 O O . HIS B 493 ? 0.2576 0.2820 0.2890 0.0096 -0.0115 -0.0345 575 HIS B O 8682 C CB . HIS B 493 ? 0.2029 0.2224 0.2316 0.0086 -0.0099 -0.0324 575 HIS B CB 8683 C CG . HIS B 493 ? 0.3254 0.3478 0.3525 0.0097 -0.0104 -0.0338 575 HIS B CG 8684 N ND1 . HIS B 493 ? 0.5216 0.5615 0.5623 0.0150 -0.0151 -0.0453 575 HIS B ND1 8685 C CD2 . HIS B 493 ? 0.2607 0.2830 0.2868 0.0096 -0.0102 -0.0332 575 HIS B CD2 8686 C CE1 . HIS B 493 ? 0.4544 0.4920 0.4892 0.0129 -0.0124 -0.0339 575 HIS B CE1 8687 N NE2 . HIS B 493 ? 0.2694 0.2955 0.2943 0.0110 -0.0108 -0.0354 575 HIS B NE2 8688 N N . LEU B 494 ? 0.1652 0.2075 0.1991 0.0158 -0.0144 -0.0437 576 LEU B N 8689 C CA . LEU B 494 ? 0.2317 0.2868 0.2728 0.0192 -0.0130 -0.0351 576 LEU B CA 8690 C C . LEU B 494 ? 0.2648 0.3302 0.3189 0.0213 -0.0112 -0.0247 576 LEU B C 8691 O O . LEU B 494 ? 0.1657 0.2364 0.2279 0.0230 -0.0093 -0.0163 576 LEU B O 8692 C CB . LEU B 494 ? 0.3306 0.3975 0.3714 0.0225 -0.0130 -0.0337 576 LEU B CB 8693 C CG . LEU B 494 ? 0.3772 0.4398 0.4077 0.0221 -0.0140 -0.0403 576 LEU B CG 8694 C CD1 . LEU B 494 ? 0.5253 0.5714 0.5492 0.0172 -0.0136 -0.0423 576 LEU B CD1 8695 C CD2 . LEU B 494 ? 0.3155 0.3931 0.3480 0.0261 -0.0136 -0.0365 576 LEU B CD2 8696 N N . LEU B 495 ? 0.2592 0.3272 0.3163 0.0214 -0.0117 -0.0251 577 LEU B N 8697 C CA . LEU B 495 ? 0.2323 0.3121 0.3035 0.0236 -0.0104 -0.0151 577 LEU B CA 8698 C C . LEU B 495 ? 0.2553 0.3282 0.3275 0.0219 -0.0094 -0.0146 577 LEU B C 8699 O O . LEU B 495 ? 0.3849 0.4431 0.4474 0.0184 -0.0107 -0.0238 577 LEU B O 8700 C CB . LEU B 495 ? 0.1676 0.2565 0.2437 0.0246 -0.0117 -0.0146 577 LEU B CB 8701 C CG . LEU B 495 ? 0.1431 0.2404 0.2185 0.0262 -0.0131 -0.0155 577 LEU B CG 8702 C CD1 . LEU B 495 ? 0.2887 0.3939 0.3692 0.0264 -0.0147 -0.0154 577 LEU B CD1 8703 C CD2 . LEU B 495 ? 0.1358 0.2446 0.2216 0.0289 -0.0128 -0.0077 577 LEU B CD2 8704 N N . LYS B 496 ? 0.2299 0.3126 0.3153 0.0244 -0.0074 -0.0044 578 LYS B N 8705 C CA . LYS B 496 ? 0.2542 0.3345 0.3407 0.0240 -0.0062 -0.0030 578 LYS B CA 8706 C C . LYS B 496 ? 0.2933 0.3741 0.3800 0.0231 -0.0073 -0.0058 578 LYS B C 8707 O O . LYS B 496 ? 0.2965 0.3644 0.3752 0.0199 -0.0083 -0.0137 578 LYS B O 8708 C CB . LYS B 496 ? 0.1775 0.2664 0.2752 0.0265 -0.0036 0.0077 578 LYS B CB 8709 C CG . LYS B 496 ? 0.2636 0.3499 0.3603 0.0271 -0.0020 0.0108 578 LYS B CG 8710 C CD . LYS B 496 ? 0.3037 0.3993 0.4062 0.0321 -0.0071 -0.0072 578 LYS B CD 8711 C CE . LYS B 496 ? 0.2035 0.2995 0.3085 0.0335 -0.0058 -0.0035 578 LYS B CE 8712 N NZ . LYS B 496 ? 0.1502 0.2528 0.2644 0.0352 -0.0063 0.0004 578 LYS B NZ 8713 N N . LYS B 497 ? 0.3086 0.4027 0.4075 0.0251 -0.0077 0.0005 579 LYS B N 8714 C CA . LYS B 497 ? 0.3301 0.4277 0.4316 0.0246 -0.0088 -0.0003 579 LYS B CA 8715 C C . LYS B 497 ? 0.2553 0.3558 0.3548 0.0242 -0.0111 -0.0040 579 LYS B C 8716 O O . LYS B 497 ? 0.3264 0.4386 0.4390 0.0258 -0.0126 0.0007 579 LYS B O 8717 C CB . LYS B 497 ? 0.4353 0.5405 0.5541 0.0257 -0.0085 0.0068 579 LYS B CB 8718 C CG . LYS B 497 ? 0.5294 0.6329 0.6454 0.0260 -0.0056 0.0105 579 LYS B CG 8719 C CD . LYS B 497 ? 0.7067 0.8165 0.8424 0.0282 -0.0108 -0.0043 579 LYS B CD 8720 C CE . LYS B 497 ? 0.8529 0.9720 0.9836 0.0324 -0.0097 -0.0080 579 LYS B CE 8721 N NZ . LYS B 497 ? 0.8573 0.9792 0.9682 0.0330 -0.0071 -0.0066 579 LYS B NZ 8722 N N . PRO B 498 ? 0.2262 0.3139 0.3108 0.0218 -0.0121 -0.0148 580 PRO B N 8723 C CA . PRO B 498 ? 0.3010 0.3906 0.3825 0.0217 -0.0139 -0.0193 580 PRO B CA 8724 C C . PRO B 498 ? 0.2206 0.3245 0.3150 0.0225 -0.0150 -0.0127 580 PRO B C 8725 O O . PRO B 498 ? 0.2593 0.3648 0.3588 0.0220 -0.0146 -0.0099 580 PRO B O 8726 C CB . PRO B 498 ? 0.4171 0.4869 0.4840 0.0188 -0.0145 -0.0324 580 PRO B CB 8727 C CG . PRO B 498 ? 0.4256 0.4824 0.4864 0.0168 -0.0139 -0.0354 580 PRO B CG 8728 C CD . PRO B 498 ? 0.3671 0.4354 0.4392 0.0186 -0.0122 -0.0245 580 PRO B CD 8729 N N . ILE B 499 ? 0.3890 0.5035 0.4892 0.0234 -0.0170 -0.0106 581 ILE B N 8730 C CA . ILE B 499 ? 0.4207 0.5489 0.5357 0.0234 -0.0195 -0.0048 581 ILE B CA 8731 C C . ILE B 499 ? 0.4116 0.5360 0.5200 0.0218 -0.0205 -0.0105 581 ILE B C 8732 O O . ILE B 499 ? 0.4660 0.5951 0.5822 0.0207 -0.0214 -0.0072 581 ILE B O 8733 C CB . ILE B 499 ? 0.3870 0.5290 0.5130 0.0250 -0.0224 -0.0011 581 ILE B CB 8734 C CG1 . ILE B 499 ? 0.4099 0.5578 0.5459 0.0274 -0.0222 0.0026 581 ILE B CG1 8735 C CG2 . ILE B 499 ? 0.3667 0.5212 0.5053 0.0243 -0.0264 0.0012 581 ILE B CG2 8736 C CD1 . ILE B 499 ? 0.4191 0.5595 0.5458 0.0284 -0.0197 0.0016 581 ILE B CD1 8737 N N . TYR B 500 ? 0.3792 0.4943 0.4744 0.0217 -0.0203 -0.0198 582 TYR B N 8738 C CA . TYR B 500 ? 0.4193 0.5286 0.5094 0.0206 -0.0213 -0.0271 582 TYR B CA 8739 C C . TYR B 500 ? 0.4792 0.5660 0.5546 0.0197 -0.0195 -0.0393 582 TYR B C 8740 O O . TYR B 500 ? 0.5014 0.5755 0.5660 0.0196 -0.0185 -0.0462 582 TYR B O 8741 C CB . TYR B 500 ? 0.3353 0.4501 0.4245 0.0215 -0.0231 -0.0299 582 TYR B CB 8742 C CG . TYR B 500 ? 0.2927 0.4017 0.3782 0.0210 -0.0242 -0.0374 582 TYR B CG 8743 C CD1 . TYR B 500 ? 0.3806 0.5013 0.4780 0.0194 -0.0270 -0.0314 582 TYR B CD1 8744 C CD2 . TYR B 500 ? 0.2265 0.3185 0.2985 0.0219 -0.0227 -0.0504 582 TYR B CD2 8745 C CE1 . TYR B 500 ? 0.4342 0.5500 0.5298 0.0189 -0.0282 -0.0376 582 TYR B CE1 8746 C CE2 . TYR B 500 ? 0.2768 0.3628 0.3474 0.0221 -0.0235 -0.0574 582 TYR B CE2 8747 C CZ . TYR B 500 ? 0.4729 0.5710 0.5552 0.0207 -0.0261 -0.0508 582 TYR B CZ 8748 O OH . TYR B 500 ? 0.5781 0.6708 0.6605 0.0210 -0.0271 -0.0569 582 TYR B OH 8749 N N . ASN B 501 ? 0.4628 0.5443 0.5389 0.0185 -0.0197 -0.0415 583 ASN B N 8750 C CA . ASN B 501 ? 0.3458 0.4047 0.4103 0.0173 -0.0186 -0.0532 583 ASN B CA 8751 C C . ASN B 501 ? 0.3886 0.4403 0.4499 0.0179 -0.0193 -0.0613 583 ASN B C 8752 O O . ASN B 501 ? 0.2498 0.3079 0.3186 0.0177 -0.0203 -0.0583 583 ASN B O 8753 C CB . ASN B 501 ? 0.3225 0.3782 0.3897 0.0159 -0.0179 -0.0505 583 ASN B CB 8754 C CG . ASN B 501 ? 0.3790 0.4388 0.4486 0.0157 -0.0169 -0.0441 583 ASN B CG 8755 O OD1 . ASN B 501 ? 0.4357 0.5104 0.5161 0.0162 -0.0167 -0.0340 583 ASN B OD1 8756 N ND2 . ASN B 501 ? 0.3256 0.3729 0.3862 0.0148 -0.0164 -0.0495 583 ASN B ND2 8757 N N . PRO B 502 ? 0.4653 0.5071 0.5163 0.0158 -0.0169 -0.0553 584 PRO B N 8758 C CA . PRO B 502 ? 0.3411 0.3787 0.3892 0.0153 -0.0163 -0.0540 584 PRO B CA 8759 C C . PRO B 502 ? 0.3041 0.3463 0.3615 0.0140 -0.0165 -0.0451 584 PRO B C 8760 O O . PRO B 502 ? 0.3624 0.4044 0.4291 0.0159 -0.0196 -0.0583 584 PRO B O 8761 C CB . PRO B 502 ? 0.4100 0.4430 0.4510 0.0139 -0.0151 -0.0501 584 PRO B CB 8762 C CG . PRO B 502 ? 0.3644 0.3945 0.4038 0.0127 -0.0141 -0.0469 584 PRO B CG 8763 C CD . PRO B 502 ? 0.4570 0.4913 0.4989 0.0136 -0.0146 -0.0490 584 PRO B CD 8764 N N . SER B 503 ? 0.4301 0.4596 0.4781 0.0135 -0.0161 -0.0517 585 SER B N 8765 C CA . SER B 503 ? 0.4706 0.5143 0.5448 0.0176 -0.0223 -0.0633 585 SER B CA 8766 C C . SER B 503 ? 0.4114 0.4382 0.4638 0.0136 -0.0173 -0.0523 585 SER B C 8767 O O . SER B 503 ? 0.3941 0.4385 0.4587 0.0160 -0.0196 -0.0496 585 SER B O 8768 C CB . SER B 503 ? 0.4676 0.4946 0.5223 0.0141 -0.0166 -0.0526 585 SER B CB 8769 O OG . SER B 503 ? 0.5727 0.6063 0.6352 0.0149 -0.0183 -0.0565 585 SER B OG 8770 N N . HIS B 504 ? 0.4190 0.4431 0.4732 0.0130 -0.0174 -0.0511 586 HIS B N 8771 C CA . HIS B 504 ? 0.4412 0.4807 0.5096 0.0149 -0.0201 -0.0479 586 HIS B CA 8772 C C . HIS B 504 ? 0.4650 0.5089 0.5511 0.0203 -0.0274 -0.0699 586 HIS B C 8773 O O . HIS B 504 ? 0.5017 0.5265 0.5629 0.0148 -0.0204 -0.0564 586 HIS B O 8774 C CB . HIS B 504 ? 0.4221 0.4436 0.4792 0.0128 -0.0181 -0.0507 586 HIS B CB 8775 C CG . HIS B 504 ? 0.3246 0.3451 0.3789 0.0119 -0.0168 -0.0480 586 HIS B CG 8776 N ND1 . HIS B 504 ? 0.3361 0.3578 0.3896 0.0123 -0.0169 -0.0487 586 HIS B ND1 8777 C CD2 . HIS B 504 ? 0.2842 0.3029 0.3368 0.0107 -0.0155 -0.0449 586 HIS B CD2 8778 C CE1 . HIS B 504 ? 0.3689 0.3893 0.4202 0.0113 -0.0158 -0.0460 586 HIS B CE1 8779 N NE2 . HIS B 504 ? 0.2655 0.2840 0.3162 0.0104 -0.0149 -0.0437 586 HIS B NE2 8780 N N . PRO B 505 ? 0.3915 0.4358 0.4659 0.0176 -0.0233 -0.0535 587 PRO B N 8781 C CA . PRO B 505 ? 0.2434 0.2720 0.3075 0.0176 -0.0233 -0.0625 587 PRO B CA 8782 C C . PRO B 505 ? 0.3366 0.3620 0.4047 0.0173 -0.0243 -0.0622 587 PRO B C 8783 O O . PRO B 505 ? 0.3586 0.4014 0.4574 0.0230 -0.0330 -0.0758 587 PRO B O 8784 C CB . PRO B 505 ? 0.2145 0.2671 0.3081 0.0258 -0.0331 -0.0810 587 PRO B CB 8785 C CG . PRO B 505 ? 0.4103 0.4579 0.4870 0.0195 -0.0252 -0.0568 587 PRO B CG 8786 C CD . PRO B 505 ? 0.4625 0.4911 0.5214 0.0164 -0.0211 -0.0590 587 PRO B CD 8787 N N . LYS B 506 ? 0.4514 0.4760 0.5225 0.0177 -0.0254 -0.0634 588 LYS B N 8788 C CA . LYS B 506 ? 0.4576 0.4984 0.5474 0.0192 -0.0292 -0.0571 588 LYS B CA 8789 C C . LYS B 506 ? 0.5528 0.5737 0.6314 0.0189 -0.0289 -0.0656 588 LYS B C 8790 O O . LYS B 506 ? 0.5592 0.6037 0.6537 0.0221 -0.0327 -0.0621 588 LYS B O 8791 C CB . LYS B 506 ? 0.4162 0.4438 0.5084 0.0220 -0.0308 -0.0692 588 LYS B CB 8792 N N . GLU B 507 ? 0.5298 0.5687 0.6261 0.0202 -0.0324 -0.0584 589 GLU B N 8793 C CA . GLU B 507 ? 0.5283 0.5457 0.6133 0.0197 -0.0321 -0.0669 589 GLU B CA 8794 C C . GLU B 507 ? 0.6008 0.6363 0.7289 0.0289 -0.0483 -0.0863 589 GLU B C 8795 O O . GLU B 507 ? 0.5284 0.5436 0.6274 0.0251 -0.0358 -0.0679 589 GLU B O 8796 C CB . GLU B 507 ? 0.4409 0.4747 0.5628 0.0257 -0.0433 -0.0804 589 GLU B CB 8797 C CG . GLU B 507 ? 0.3826 0.3977 0.4711 0.0199 -0.0336 -0.0670 589 GLU B CG 8798 C CD . GLU B 507 ? 0.4503 0.4639 0.5387 0.0189 -0.0328 -0.0648 589 GLU B CD 8799 O OE1 . GLU B 507 ? 0.4462 0.4794 0.5485 0.0178 -0.0358 -0.0565 589 GLU B OE1 8800 O OE2 . GLU B 507 ? 0.4763 0.4908 0.5645 0.0193 -0.0329 -0.0658 589 GLU B OE2 8801 N N . GLU B 508 ? 0.7375 0.7571 0.8323 0.0273 -0.0352 -0.0717 590 GLU B N 8802 C CA . GLU B 508 ? 0.7518 0.7780 0.8685 0.0313 -0.0465 -0.0831 590 GLU B CA 8803 C C . GLU B 508 ? 0.7267 0.7489 0.8467 0.0327 -0.0492 -0.0831 590 GLU B C 8804 O O . GLU B 508 ? 0.7880 0.8122 0.9264 0.0357 -0.0601 -0.0912 590 GLU B O 8805 C CB . GLU B 508 ? 0.7605 0.7959 0.8846 0.0344 -0.0511 -0.0920 590 GLU B CB 8806 C CG . GLU B 508 ? 0.8461 0.8882 0.9712 0.0340 -0.0507 -0.0945 590 GLU B CG 8807 C CD . GLU B 508 ? 1.0025 1.0563 1.1370 0.0274 -0.0574 -0.0881 590 GLU B CD 8808 O OE1 . GLU B 508 ? 0.9757 1.0382 1.1074 0.0234 -0.0557 -0.0822 590 GLU B OE1 8809 O OE2 . GLU B 508 ? 1.1087 1.1663 1.2503 0.0231 -0.0642 -0.0836 590 GLU B OE2 8810 N N . GLY B 509 ? 0.6375 0.6771 0.7539 0.0254 -0.0485 -0.0702 591 GLY B N 8811 C CA . GLY B 509 ? 0.6131 0.6243 0.7187 0.0290 -0.0454 -0.0784 591 GLY B CA 8812 C C . GLY B 509 ? 0.6429 0.6488 0.7526 0.0283 -0.0475 -0.0759 591 GLY B C 8813 O O . GLY B 509 ? 0.6842 0.7163 0.8069 0.0241 -0.0513 -0.0662 591 GLY B O 8814 N N . PHE B 510 ? 0.8312 0.6760 0.8746 -0.0292 -0.0300 -0.1396 592 PHE B N 8815 C CA . PHE B 510 ? 0.8485 0.6780 0.8874 -0.0296 -0.0266 -0.1385 592 PHE B CA 8816 C C . PHE B 510 ? 0.9442 0.7668 0.9820 -0.0227 -0.0247 -0.1380 592 PHE B C 8817 O O . PHE B 510 ? 0.9407 0.7527 0.9735 -0.0189 -0.0226 -0.1408 592 PHE B O 8818 C CB . PHE B 510 ? 0.7669 0.5824 0.7984 -0.0326 -0.0246 -0.1418 592 PHE B CB 8819 N N . LEU B 511 ? 0.9841 0.8126 1.0267 -0.0208 -0.0256 -0.1341 593 LEU B N 8820 C CA . LEU B 511 ? 0.9461 0.7703 0.9890 -0.0138 -0.0247 -0.1330 593 LEU B CA 8821 C C . LEU B 511 ? 0.8911 0.6960 0.9268 -0.0123 -0.0204 -0.1321 593 LEU B C 8822 O O . LEU B 511 ? 0.9345 0.7343 0.9689 -0.0156 -0.0192 -0.1294 593 LEU B O 8823 C CB . LEU B 511 ? 0.9811 0.8182 1.0313 -0.0125 -0.0276 -0.1291 593 LEU B CB 8824 C CG . LEU B 511 ? 1.0446 0.8851 1.0981 -0.0046 -0.0291 -0.1284 593 LEU B CG 8825 C CD1 . LEU B 511 ? 0.9622 0.8126 1.0185 -0.0019 -0.0315 -0.1316 593 LEU B CD1 8826 C CD2 . LEU B 511 ? 1.1616 1.0123 1.2214 -0.0038 -0.0319 -0.1243 593 LEU B CD2 8827 N N . SER B 512 ? 0.8782 0.6724 0.9093 -0.0071 -0.0181 -0.1342 594 SER B N 8828 C CA . SER B 512 ? 0.9285 0.7037 0.9525 -0.0046 -0.0139 -0.1332 594 SER B CA 8829 C C . SER B 512 ? 1.0541 0.8256 1.0784 0.0041 -0.0130 -0.1316 594 SER B C 8830 O O . SER B 512 ? 1.0537 0.8375 1.0839 0.0080 -0.0159 -0.1317 594 SER B O 8831 C CB . SER B 512 ? 0.8662 0.6287 0.8828 -0.0064 -0.0114 -0.1370 594 SER B CB 8832 O OG . SER B 512 ? 0.8920 0.6584 0.9087 -0.0035 -0.0120 -0.1408 594 SER B OG 8833 N N . GLN B 513 ? 1.1104 0.8651 1.1285 0.0072 -0.0093 -0.1298 595 GLN B N 8834 C CA . GLN B 513 ? 1.0753 0.8253 1.0936 0.0157 -0.0082 -0.1274 595 GLN B CA 8835 C C . GLN B 513 ? 1.1203 0.8553 1.1317 0.0203 -0.0043 -0.1295 595 GLN B C 8836 O O . GLN B 513 ? 1.1038 0.8261 1.1082 0.0169 -0.0017 -0.1314 595 GLN B O 8837 C CB . GLN B 513 ? 0.9305 0.6743 0.9478 0.0169 -0.0074 -0.1223 595 GLN B CB 8838 N N . CYS B 514 ? 1.1310 0.8675 1.1446 0.0281 -0.0042 -0.1291 596 CYS B N 8839 C CA . CYS B 514 ? 1.1382 0.8617 1.1460 0.0332 -0.0003 -0.1309 596 CYS B CA 8840 C C . CYS B 514 ? 1.1187 0.8316 1.1249 0.0411 0.0022 -0.1263 596 CYS B C 8841 O O . CYS B 514 ? 1.1508 0.8713 1.1625 0.0477 0.0006 -0.1241 596 CYS B O 8842 C CB . CYS B 514 ? 1.1477 0.8814 1.1590 0.0362 -0.0016 -0.1346 596 CYS B CB 8843 S SG . CYS B 514 ? 0.9464 0.6940 0.9601 0.0279 -0.0050 -0.1396 596 CYS B SG 8844 N N . PRO B 515 ? 1.0263 0.7218 1.0249 0.0406 0.0058 -0.1245 597 PRO B N 8845 C CA . PRO B 515 ? 0.9539 0.6382 0.9502 0.0481 0.0084 -0.1198 597 PRO B CA 8846 C C . PRO B 515 ? 0.9196 0.5930 0.9115 0.0542 0.0121 -0.1214 597 PRO B C 8847 O O . PRO B 515 ? 0.8300 0.5033 0.8196 0.0523 0.0127 -0.1265 597 PRO B O 8848 C CB . PRO B 515 ? 0.9518 0.6219 0.9409 0.0442 0.0101 -0.1174 597 PRO B CB 8849 C CG . PRO B 515 ? 1.0295 0.6969 1.0144 0.0366 0.0097 -0.1223 597 PRO B CG 8850 C CD . PRO B 515 ? 0.9886 0.6747 0.9808 0.0331 0.0066 -0.1260 597 PRO B CD 8851 N N . ILE B 516 ? 0.8691 0.5329 0.8596 0.0614 0.0147 -0.1168 598 ILE B N 8852 C CA . ILE B 516 ? 0.8724 0.5245 0.8585 0.0679 0.0185 -0.1175 598 ILE B CA 8853 C C . ILE B 516 ? 1.0756 0.7101 1.0504 0.0640 0.0200 -0.1203 598 ILE B C 8854 O O . ILE B 516 ? 1.1915 0.8171 1.1618 0.0617 0.0194 -0.1175 598 ILE B O 8855 C CB . ILE B 516 ? 0.8423 0.4889 0.8305 0.0764 0.0206 -0.1111 598 ILE B CB 8856 C CG1 . ILE B 516 ? 0.7262 0.3915 0.7261 0.0807 0.0166 -0.1081 598 ILE B CG1 8857 C CG2 . ILE B 516 ? 0.8442 0.4803 0.8287 0.0829 0.0246 -0.1118 598 ILE B CG2 8858 C CD1 . ILE B 516 ? 0.5991 0.2721 0.6032 0.0785 0.0126 -0.1039 598 ILE B CD1 8859 N N . LYS B 517 ? 1.2120 0.8447 1.1837 0.0627 0.0204 -0.1259 599 LYS B N 8860 C CA . LYS B 517 ? 1.4104 1.0302 1.3742 0.0584 0.0195 -0.1293 599 LYS B CA 8861 C C . LYS B 517 ? 1.6467 1.2573 1.6065 0.0632 0.0209 -0.1323 599 LYS B C 8862 O O . LYS B 517 ? 1.7297 1.3295 1.6856 0.0613 0.0193 -0.1348 599 LYS B O 8863 C CB . LYS B 517 ? 1.3046 0.9329 1.2697 0.0489 0.0171 -0.1338 599 LYS B CB 8864 N N . SER B 518 ? 1.7177 1.3334 1.6799 0.0689 0.0234 -0.1330 600 SER B N 8865 C CA . SER B 518 ? 1.8052 1.4127 1.7635 0.0734 0.0248 -0.1365 600 SER B CA 8866 C C . SER B 518 ? 1.8283 1.4325 1.7880 0.0833 0.0272 -0.1321 600 SER B C 8867 O O . SER B 518 ? 1.8801 1.4882 1.8442 0.0869 0.0282 -0.1260 600 SER B O 8868 C CB . SER B 518 ? 1.8470 1.4623 1.8055 0.0708 0.0256 -0.1427 600 SER B CB 8869 O OG . SER B 518 ? 1.8905 1.4992 1.8460 0.0768 0.0276 -0.1452 600 SER B OG 8870 N N . THR B 519 ? 1.7421 1.3396 1.6989 0.0877 0.0279 -0.1354 601 THR B N 8871 C CA . THR B 519 ? 1.6083 1.2023 1.5663 0.0974 0.0294 -0.1319 601 THR B CA 8872 C C . THR B 519 ? 1.4439 1.0445 1.4039 0.1015 0.0331 -0.1343 601 THR B C 8873 O O . THR B 519 ? 1.3634 0.9639 1.3203 0.0985 0.0332 -0.1408 601 THR B O 8874 C CB . THR B 519 ? 1.4812 1.0616 1.4383 0.1007 0.0252 -0.1341 601 THR B CB 8875 O OG1 . THR B 519 ? 1.4623 1.0374 1.4207 0.0957 0.0216 -0.1333 601 THR B OG1 8876 C CG2 . THR B 519 ? 1.4477 1.0259 1.4093 0.1107 0.0242 -0.1303 601 THR B CG2 8877 N N . SER B 520 ? 1.4075 1.0145 1.3738 0.1083 0.0361 -0.1290 602 SER B N 8878 C CA . SER B 520 ? 1.4259 1.0422 1.3973 0.1124 0.0392 -0.1307 602 SER B CA 8879 C C . SER B 520 ? 1.3819 0.9885 1.3469 0.1174 0.0398 -0.1346 602 SER B C 8880 O O . SER B 520 ? 1.3331 0.9298 1.2958 0.1235 0.0377 -0.1326 602 SER B O 8881 C CB . SER B 520 ? 1.4073 1.0334 1.3900 0.1188 0.0410 -0.1237 602 SER B CB 8882 O OG . SER B 520 ? 1.3834 1.0195 1.3720 0.1233 0.0427 -0.1253 602 SER B OG 8883 N N . ASN B 521 ? 1.3491 0.9596 1.3124 0.1150 0.0409 -0.1409 603 ASN B N 8884 C CA . ASN B 521 ? 1.3268 0.9305 1.2857 0.1198 0.0415 -0.1454 603 ASN B CA 8885 C C . ASN B 521 ? 1.3017 0.9156 1.2665 0.1257 0.0457 -0.1438 603 ASN B C 8886 O O . ASN B 521 ? 1.2819 0.9094 1.2558 0.1252 0.0468 -0.1405 603 ASN B O 8887 C CB . ASN B 521 ? 1.3573 0.9576 1.3098 0.1128 0.0402 -0.1536 603 ASN B CB 8888 C CG . ASN B 521 ? 1.3937 0.9878 1.3432 0.1052 0.0366 -0.1548 603 ASN B CG 8889 O OD1 . ASN B 521 ? 1.4223 1.0088 1.3728 0.1068 0.0340 -0.1518 603 ASN B OD1 8890 N ND2 . ASN B 521 ? 1.3667 0.9647 1.3136 0.0968 0.0359 -0.1594 603 ASN B ND2 8891 N N . ASP B 522 ? 1.3286 0.9374 1.2903 0.1316 0.0465 -0.1468 604 ASP B N 8892 C CA . ASP B 522 ? 1.3773 0.9951 1.3447 0.1380 0.0505 -0.1449 604 ASP B CA 8893 C C . ASP B 522 ? 1.4072 1.0360 1.3762 0.1336 0.0522 -0.1498 604 ASP B C 8894 O O . ASP B 522 ? 1.4817 1.1059 1.4430 0.1295 0.0516 -0.1568 604 ASP B O 8895 C CB . ASP B 522 ? 1.3573 0.9664 1.3216 0.1464 0.0492 -0.1471 604 ASP B CB 8896 C CG . ASP B 522 ? 1.3375 0.9548 1.3080 0.1545 0.0529 -0.1429 604 ASP B CG 8897 O OD1 . ASP B 522 ? 1.3052 0.9364 1.2842 0.1528 0.0568 -0.1399 604 ASP B OD1 8898 O OD2 . ASP B 522 ? 1.3472 0.9597 1.3186 0.1626 0.0499 -0.1441 604 ASP B OD2 8899 N N . LEU B 523 ? 1.2996 0.9438 1.2794 0.1348 0.0530 -0.1465 605 LEU B N 8900 C CA . LEU B 523 ? 1.2453 0.9018 1.2276 0.1318 0.0526 -0.1511 605 LEU B CA 8901 C C . LEU B 523 ? 1.1999 0.8586 1.1827 0.1383 0.0564 -0.1525 605 LEU B C 8902 O O . LEU B 523 ? 1.0800 0.7448 1.0611 0.1362 0.0569 -0.1577 605 LEU B O 8903 C CB . LEU B 523 ? 1.2078 0.8825 1.2020 0.1301 0.0484 -0.1472 605 LEU B CB 8904 C CG . LEU B 523 ? 1.1600 0.8348 1.1541 0.1230 0.0440 -0.1459 605 LEU B CG 8905 C CD1 . LEU B 523 ? 1.0715 0.7660 1.0768 0.1217 0.0383 -0.1422 605 LEU B CD1 8906 C CD2 . LEU B 523 ? 1.1871 0.8558 1.1716 0.1142 0.0429 -0.1526 605 LEU B CD2 8907 N N . GLY B 524 ? 1.2461 0.8997 1.2308 0.1463 0.0589 -0.1479 606 GLY B N 8908 C CA . GLY B 524 ? 1.2739 0.9287 1.2590 0.1533 0.0625 -0.1485 606 GLY B CA 8909 C C . GLY B 524 ? 1.2560 0.9284 1.2525 0.1559 0.0633 -0.1464 606 GLY B C 8910 O O . GLY B 524 ? 1.1821 0.8590 1.1768 0.1563 0.0652 -0.1509 606 GLY B O 8911 N N . CYS B 525 ? 1.3048 0.9871 1.3128 0.1580 0.0611 -0.1397 607 CYS B N 8912 C CA . CYS B 525 ? 1.3599 1.0599 1.3793 0.1612 0.0598 -0.1371 607 CYS B CA 8913 C C . CYS B 525 ? 1.2912 0.9964 1.3213 0.1694 0.0606 -0.1287 607 CYS B C 8914 O O . CYS B 525 ? 1.1299 0.8287 1.1616 0.1710 0.0601 -0.1235 607 CYS B O 8915 C CB . CYS B 525 ? 1.3773 1.0916 1.4016 0.1543 0.0524 -0.1368 607 CYS B CB 8916 S SG . CYS B 525 ? 1.9215 1.6355 1.9362 0.1440 0.0502 -0.1460 607 CYS B SG 8917 N N . THR B 526 ? 1.3779 1.0948 1.4153 0.1743 0.0618 -0.1272 608 THR B N 8918 C CA . THR B 526 ? 1.4723 1.1960 1.5207 0.1818 0.0621 -0.1190 608 THR B CA 8919 C C . THR B 526 ? 1.5125 1.2543 1.5719 0.1815 0.0556 -0.1139 608 THR B C 8920 O O . THR B 526 ? 1.4778 1.2339 1.5399 0.1791 0.0525 -0.1161 608 THR B O 8921 C CB . THR B 526 ? 1.4935 1.2197 1.5435 0.1876 0.0671 -0.1194 608 THR B CB 8922 O OG1 . THR B 526 ? 1.5588 1.2685 1.5966 0.1883 0.0718 -0.1238 608 THR B OG1 8923 C CG2 . THR B 526 ? 1.4572 1.1907 1.5189 0.1949 0.0672 -0.1105 608 THR B CG2 8924 N N . CYS B 527 ? 1.5968 1.3388 1.6619 0.1835 0.0527 -0.1069 609 CYS B N 8925 C CA . CYS B 527 ? 1.6436 1.4025 1.7175 0.1828 0.0451 -0.1014 609 CYS B CA 8926 C C . CYS B 527 ? 1.6629 1.4283 1.7474 0.1905 0.0453 -0.0927 609 CYS B C 8927 O O . CYS B 527 ? 1.6734 1.4288 1.7592 0.1943 0.0475 -0.0881 609 CYS B O 8928 C CB . CYS B 527 ? 1.6439 1.3988 1.7146 0.1774 0.0402 -0.1005 609 CYS B CB 8929 S SG . CYS B 527 ? 2.5020 2.2498 2.5611 0.1676 0.0395 -0.1098 609 CYS B SG 8930 N N . ASP B 528 ? 1.6478 1.4300 1.7399 0.1925 0.0429 -0.0903 610 ASP B N 8931 C CA . ASP B 528 ? 1.6596 1.4500 1.7622 0.1992 0.0426 -0.0819 610 ASP B CA 8932 C C . ASP B 528 ? 1.7327 1.5308 1.8401 0.1981 0.0351 -0.0751 610 ASP B C 8933 O O . ASP B 528 ? 1.8106 1.6175 1.9166 0.1925 0.0289 -0.0765 610 ASP B O 8934 C CB . ASP B 528 ? 1.5890 1.3944 1.6977 0.2013 0.0432 -0.0818 610 ASP B CB 8935 N N . PRO B 529 ? 1.6723 1.4669 1.7850 0.2033 0.0357 -0.0678 611 PRO B N 8936 C CA . PRO B 529 ? 1.5900 1.3908 1.7069 0.2030 0.0290 -0.0606 611 PRO B CA 8937 C C . PRO B 529 ? 1.4333 1.2547 1.5567 0.2019 0.0228 -0.0572 611 PRO B C 8938 O O . PRO B 529 ? 1.2998 1.1277 1.4209 0.1966 0.0165 -0.0576 611 PRO B O 8939 C CB . PRO B 529 ? 1.6209 1.4151 1.7436 0.2102 0.0325 -0.0537 611 PRO B CB 8940 C CG . PRO B 529 ? 1.6427 1.4225 1.7603 0.2114 0.0400 -0.0587 611 PRO B CG 8941 C CD . PRO B 529 ? 1.6409 1.4247 1.7550 0.2093 0.0427 -0.0662 611 PRO B CD 8942 N N . ASP B 547 ? 0.6120 0.4234 0.6665 0.0879 -0.0556 -0.0657 629 ASP B N 8943 C CA . ASP B 547 ? 0.7422 0.5523 0.7979 0.0831 -0.0513 -0.0726 629 ASP B CA 8944 C C . ASP B 547 ? 0.6871 0.5104 0.7483 0.0759 -0.0539 -0.0772 629 ASP B C 8945 O O . ASP B 547 ? 0.4625 0.2945 0.5283 0.0738 -0.0536 -0.0822 629 ASP B O 8946 C CB . ASP B 547 ? 0.9269 0.7175 0.9746 0.0797 -0.0446 -0.0735 629 ASP B CB 8947 C CG . ASP B 547 ? 0.9748 0.7627 1.0226 0.0750 -0.0397 -0.0802 629 ASP B CG 8948 O OD1 . ASP B 547 ? 1.0861 0.8871 1.1397 0.0731 -0.0416 -0.0846 629 ASP B OD1 8949 O OD2 . ASP B 547 ? 0.8728 0.6450 0.9143 0.0732 -0.0339 -0.0809 629 ASP B OD2 8950 N N . ASP B 548 ? 0.8381 0.6631 0.8988 0.0721 -0.0565 -0.0753 630 ASP B N 8951 C CA . ASP B 548 ? 0.7355 0.5733 0.8018 0.0652 -0.0590 -0.0789 630 ASP B CA 8952 C C . ASP B 548 ? 0.6101 0.4668 0.6849 0.0692 -0.0651 -0.0786 630 ASP B C 8953 O O . ASP B 548 ? 0.4788 0.3487 0.5601 0.0650 -0.0671 -0.0826 630 ASP B O 8954 C CB . ASP B 548 ? 0.7294 0.5630 0.7926 0.0603 -0.0595 -0.0766 630 ASP B CB 8955 C CG . ASP B 548 ? 0.8030 0.6388 0.8653 0.0659 -0.0647 -0.0704 630 ASP B CG 8956 O OD1 . ASP B 548 ? 0.8156 0.6661 0.8841 0.0655 -0.0700 -0.0702 630 ASP B OD1 8957 O OD2 . ASP B 548 ? 0.7516 0.5747 0.8070 0.0706 -0.0635 -0.0656 630 ASP B OD2 8958 N N . ASP B 549 ? 0.6257 0.4834 0.7001 0.0771 -0.0678 -0.0733 631 ASP B N 8959 C CA . ASP B 549 ? 0.6803 0.5553 0.7618 0.0816 -0.0729 -0.0714 631 ASP B CA 8960 C C . ASP B 549 ? 0.6193 0.5018 0.7054 0.0838 -0.0716 -0.0751 631 ASP B C 8961 O O . ASP B 549 ? 0.5881 0.4870 0.6814 0.0835 -0.0749 -0.0766 631 ASP B O 8962 C CB . ASP B 549 ? 0.8653 0.7387 0.9439 0.0887 -0.0753 -0.0638 631 ASP B CB 8963 C CG . ASP B 549 ? 1.0893 0.9566 1.1630 0.0870 -0.0774 -0.0597 631 ASP B CG 8964 O OD1 . ASP B 549 ? 1.1718 1.0218 1.2377 0.0856 -0.0737 -0.0589 631 ASP B OD1 8965 O OD2 . ASP B 549 ? 1.1431 1.0226 1.2203 0.0868 -0.0824 -0.0572 631 ASP B OD2 8966 N N . ILE B 550 ? 0.6824 0.5526 0.7641 0.0857 -0.0664 -0.0765 632 ILE B N 8967 C CA . ILE B 550 ? 0.6706 0.5458 0.7555 0.0882 -0.0645 -0.0798 632 ILE B CA 8968 C C . ILE B 550 ? 0.5792 0.4589 0.6665 0.0812 -0.0632 -0.0871 632 ILE B C 8969 O O . ILE B 550 ? 0.5485 0.4367 0.6397 0.0821 -0.0631 -0.0905 632 ILE B O 8970 C CB . ILE B 550 ? 0.7621 0.6224 0.8414 0.0931 -0.0592 -0.0786 632 ILE B CB 8971 C CG1 . ILE B 550 ? 0.9067 0.7751 0.9901 0.0987 -0.0587 -0.0788 632 ILE B CG1 8972 C CG2 . ILE B 550 ? 0.7134 0.5589 0.7868 0.0876 -0.0536 -0.0834 632 ILE B CG2 8973 C CD1 . ILE B 550 ? 1.0437 0.9260 1.1321 0.1037 -0.0633 -0.0730 632 ILE B CD1 8974 N N . TYR B 551 ? 0.5384 0.4125 0.6231 0.0739 -0.0621 -0.0892 633 TYR B N 8975 C CA . TYR B 551 ? 0.4856 0.3649 0.5726 0.0662 -0.0611 -0.0953 633 TYR B CA 8976 C C . TYR B 551 ? 0.5325 0.4313 0.6280 0.0645 -0.0667 -0.0964 633 TYR B C 8977 O O . TYR B 551 ? 0.5327 0.4416 0.6326 0.0639 -0.0673 -0.1002 633 TYR B O 8978 C CB . TYR B 551 ? 0.4594 0.3284 0.5415 0.0585 -0.0579 -0.0961 633 TYR B CB 8979 C CG . TYR B 551 ? 0.2776 0.1539 0.3622 0.0497 -0.0572 -0.1010 633 TYR B CG 8980 C CD1 . TYR B 551 ? 0.4462 0.3354 0.5364 0.0448 -0.0609 -0.1009 633 TYR B CD1 8981 C CD2 . TYR B 551 ? 0.4342 0.3049 0.5156 0.0463 -0.0527 -0.1052 633 TYR B CD2 8982 C CE1 . TYR B 551 ? 0.3973 0.2942 0.4900 0.0370 -0.0601 -0.1042 633 TYR B CE1 8983 C CE2 . TYR B 551 ? 0.3577 0.2359 0.4412 0.0384 -0.0522 -0.1088 633 TYR B CE2 8984 C CZ . TYR B 551 ? 0.3770 0.2685 0.4663 0.0339 -0.0558 -0.1080 633 TYR B CZ 8985 O OH . TYR B 551 ? 0.3504 0.2499 0.4417 0.0264 -0.0551 -0.1104 633 TYR B OH 8986 N N . HIS B 552 ? 0.6010 0.5046 0.6987 0.0638 -0.0706 -0.0930 634 HIS B N 8987 C CA . HIS B 552 ? 0.5156 0.4373 0.6216 0.0621 -0.0759 -0.0935 634 HIS B CA 8988 C C . HIS B 552 ? 0.4589 0.3934 0.5703 0.0686 -0.0789 -0.0924 634 HIS B C 8989 O O . HIS B 552 ? 0.5625 0.5125 0.6808 0.0670 -0.0822 -0.0942 634 HIS B O 8990 C CB . HIS B 552 ? 0.5027 0.4249 0.6087 0.0612 -0.0792 -0.0893 634 HIS B CB 8991 C CG . HIS B 552 ? 0.5867 0.5270 0.7013 0.0598 -0.0847 -0.0893 634 HIS B CG 8992 N ND1 . HIS B 552 ? 0.6472 0.5965 0.7644 0.0650 -0.0891 -0.0842 634 HIS B ND1 8993 C CD2 . HIS B 552 ? 0.5892 0.5409 0.7098 0.0534 -0.0862 -0.0932 634 HIS B CD2 8994 C CE1 . HIS B 552 ? 0.6044 0.5695 0.7290 0.0619 -0.0930 -0.0852 634 HIS B CE1 8995 N NE2 . HIS B 552 ? 0.5748 0.5411 0.7022 0.0554 -0.0917 -0.0910 634 HIS B NE2 8996 N N . MSE B 553 ? 0.3478 0.2760 0.4556 0.0756 -0.0772 -0.0889 635 MSE B N 8997 C CA . MSE B 553 ? 0.4027 0.3425 0.5144 0.0812 -0.0788 -0.0865 635 MSE B CA 8998 C C . MSE B 553 ? 0.4599 0.4039 0.5738 0.0807 -0.0766 -0.0920 635 MSE B C 8999 O O . MSE B 553 ? 0.3611 0.3189 0.4798 0.0824 -0.0784 -0.0917 635 MSE B O 9000 C CB . MSE B 553 ? 0.5437 0.4751 0.6508 0.0882 -0.0771 -0.0805 635 MSE B CB 9001 C CG . MSE B 553 ? 0.5490 0.4937 0.6594 0.0924 -0.0796 -0.0750 635 MSE B CG 9002 SE SE . MSE B 553 ? 1.5620 1.4963 1.6666 0.0993 -0.0789 -0.0661 635 MSE B SE 9003 C CE . MSE B 553 ? 0.2481 0.1743 0.3485 0.0950 -0.0818 -0.0645 635 MSE B CE 9004 N N . THR B 554 ? 0.6002 0.5320 0.7095 0.0778 -0.0722 -0.0966 636 THR B N 9005 C CA . THR B 554 ? 0.5729 0.5065 0.6826 0.0769 -0.0696 -0.1020 636 THR B CA 9006 C C . THR B 554 ? 0.5195 0.4627 0.6331 0.0694 -0.0715 -0.1072 636 THR B C 9007 O O . THR B 554 ? 0.5124 0.4650 0.6292 0.0691 -0.0720 -0.1106 636 THR B O 9008 C CB . THR B 554 ? 0.4882 0.4040 0.5901 0.0771 -0.0635 -0.1041 636 THR B CB 9009 O OG1 . THR B 554 ? 0.5394 0.4443 0.6368 0.0710 -0.0617 -0.1049 636 THR B OG1 9010 C CG2 . THR B 554 ? 0.2718 0.1794 0.3707 0.0851 -0.0614 -0.0991 636 THR B CG2 9011 N N . VAL B 555 ? 0.2929 0.2336 0.4059 0.0631 -0.0722 -0.1073 637 VAL B N 9012 C CA . VAL B 555 ? 0.2859 0.2369 0.4031 0.0555 -0.0740 -0.1107 637 VAL B CA 9013 C C . VAL B 555 ? 0.4397 0.3995 0.5620 0.0530 -0.0784 -0.1079 637 VAL B C 9014 O O . VAL B 555 ? 0.5689 0.5240 0.6891 0.0470 -0.0772 -0.1071 637 VAL B O 9015 C CB . VAL B 555 ? 0.3469 0.2877 0.4582 0.0481 -0.0691 -0.1136 637 VAL B CB 9016 C CG1 . VAL B 555 ? 0.4302 0.3690 0.5388 0.0485 -0.0661 -0.1179 637 VAL B CG1 9017 C CG2 . VAL B 555 ? 0.2916 0.2148 0.3957 0.0482 -0.0655 -0.1111 637 VAL B CG2 9018 N N . PRO B 556 ? 0.4373 0.4101 0.5660 0.0574 -0.0833 -0.1059 638 PRO B N 9019 C CA . PRO B 556 ? 0.4102 0.3910 0.5436 0.0560 -0.0877 -0.1029 638 PRO B CA 9020 C C . PRO B 556 ? 0.3576 0.3493 0.4963 0.0484 -0.0890 -0.1051 638 PRO B C 9021 O O . PRO B 556 ? 0.3398 0.3364 0.4814 0.0460 -0.0911 -0.1023 638 PRO B O 9022 C CB . PRO B 556 ? 0.3120 0.3050 0.4487 0.0615 -0.0909 -0.0992 638 PRO B CB 9023 C CG . PRO B 556 ? 0.2782 0.2752 0.4156 0.0633 -0.0892 -0.1027 638 PRO B CG 9024 C CD . PRO B 556 ? 0.3546 0.3359 0.4860 0.0632 -0.0842 -0.1059 638 PRO B CD 9025 N N . TYR B 557 ? 0.4126 0.4086 0.5518 0.0450 -0.0864 -0.1081 639 TYR B N 9026 C CA . TYR B 557 ? 0.4540 0.4601 0.5956 0.0391 -0.0841 -0.1064 639 TYR B CA 9027 C C . TYR B 557 ? 0.5047 0.5013 0.6398 0.0319 -0.0789 -0.1071 639 TYR B C 9028 O O . TYR B 557 ? 0.1551 0.1571 0.2897 0.0266 -0.0758 -0.1053 639 TYR B O 9029 C CB . TYR B 557 ? 0.3789 0.3963 0.5239 0.0411 -0.0837 -0.1078 639 TYR B CB 9030 C CG . TYR B 557 ? 0.3254 0.3475 0.4745 0.0493 -0.0875 -0.1089 639 TYR B CG 9031 C CD1 . TYR B 557 ? 0.2754 0.2945 0.4188 0.0493 -0.0868 -0.1047 639 TYR B CD1 9032 C CD2 . TYR B 557 ? 0.1422 0.1672 0.2930 0.0529 -0.0897 -0.1132 639 TYR B CD2 9033 C CE1 . TYR B 557 ? 0.2396 0.2611 0.3769 0.0503 -0.0871 -0.1018 639 TYR B CE1 9034 C CE2 . TYR B 557 ? 0.1438 0.1679 0.2882 0.0545 -0.0908 -0.1131 639 TYR B CE2 9035 C CZ . TYR B 557 ? 0.3362 0.3609 0.4745 0.0535 -0.0884 -0.1048 639 TYR B CZ 9036 O OH . TYR B 557 ? 0.4459 0.4751 0.5795 0.0558 -0.0865 -0.0986 639 TYR B OH 9037 N N . GLY B 558 ? 0.5441 0.5248 0.6728 0.0324 -0.0769 -0.1088 640 GLY B N 9038 C CA . GLY B 558 ? 0.5025 0.4723 0.6245 0.0263 -0.0717 -0.1098 640 GLY B CA 9039 C C . GLY B 558 ? 0.4730 0.4368 0.5910 0.0272 -0.0691 -0.1140 640 GLY B C 9040 O O . GLY B 558 ? 0.4062 0.3792 0.5276 0.0297 -0.0709 -0.1162 640 GLY B O 9041 N N . ARG B 559 ? 0.5083 0.4561 0.6187 0.0253 -0.0646 -0.1152 641 ARG B N 9042 C CA . ARG B 559 ? 0.4577 0.3980 0.5632 0.0257 -0.0615 -0.1192 641 ARG B CA 9043 C C . ARG B 559 ? 0.4796 0.4290 0.5862 0.0199 -0.0609 -0.1210 641 ARG B C 9044 O O . ARG B 559 ? 0.6111 0.5666 0.7194 0.0143 -0.0607 -0.1186 641 ARG B O 9045 C CB . ARG B 559 ? 0.4364 0.3574 0.5333 0.0242 -0.0564 -0.1195 641 ARG B CB 9046 C CG . ARG B 559 ? 0.4016 0.3189 0.4962 0.0167 -0.0541 -0.1175 641 ARG B CG 9047 C CD . ARG B 559 ? 0.2655 0.1639 0.3515 0.0149 -0.0487 -0.1185 641 ARG B CD 9048 N NE . ARG B 559 ? 0.5391 0.4345 0.6214 0.0112 -0.0460 -0.1222 641 ARG B NE 9049 C CZ . ARG B 559 ? 0.5396 0.4341 0.6196 0.0038 -0.0440 -0.1225 641 ARG B CZ 9050 N NH1 . ARG B 559 ? 0.4830 0.3797 0.5644 -0.0005 -0.0439 -0.1192 641 ARG B NH1 9051 N NH2 . ARG B 559 ? 0.7298 0.6212 0.8061 0.0009 -0.0422 -0.1259 641 ARG B NH2 9052 N N . PRO B 560 ? 0.3896 0.3394 0.4945 0.0217 -0.0603 -0.1248 642 PRO B N 9053 C CA . PRO B 560 ? 0.4527 0.4086 0.5569 0.0165 -0.0595 -0.1265 642 PRO B CA 9054 C C . PRO B 560 ? 0.4366 0.3823 0.5347 0.0096 -0.0556 -0.1266 642 PRO B C 9055 O O . PRO B 560 ? 0.5468 0.4771 0.6387 0.0098 -0.0524 -0.1280 642 PRO B O 9056 C CB . PRO B 560 ? 0.2316 0.1847 0.3329 0.0206 -0.0588 -0.1309 642 PRO B CB 9057 C CG . PRO B 560 ? 0.2304 0.1835 0.3346 0.0288 -0.0608 -0.1305 642 PRO B CG 9058 C CD . PRO B 560 ? 0.3179 0.2628 0.4214 0.0292 -0.0603 -0.1271 642 PRO B CD 9059 N N . ARG B 561 ? 0.3516 0.3053 0.4511 0.0038 -0.0557 -0.1247 643 ARG B N 9060 C CA . ARG B 561 ? 0.4788 0.4239 0.5729 -0.0029 -0.0524 -0.1246 643 ARG B CA 9061 C C . ARG B 561 ? 0.5499 0.4913 0.6390 -0.0052 -0.0511 -0.1286 643 ARG B C 9062 O O . ARG B 561 ? 0.2384 0.1892 0.3294 -0.0040 -0.0530 -0.1298 643 ARG B O 9063 C CB . ARG B 561 ? 0.5151 0.4696 0.6125 -0.0076 -0.0529 -0.1201 643 ARG B CB 9064 C CG . ARG B 561 ? 0.6126 0.5715 0.7147 -0.0054 -0.0543 -0.1162 643 ARG B CG 9065 C CD . ARG B 561 ? 0.6714 0.6157 0.7697 -0.0046 -0.0523 -0.1164 643 ARG B CD 9066 N NE . ARG B 561 ? 0.6980 0.6449 0.8004 0.0005 -0.0548 -0.1143 643 ARG B NE 9067 C CZ . ARG B 561 ? 0.5741 0.5262 0.6796 -0.0006 -0.0557 -0.1103 643 ARG B CZ 9068 N NH1 . ARG B 561 ? 0.5641 0.5195 0.6691 -0.0064 -0.0539 -0.1077 643 ARG B NH1 9069 N NH2 . ARG B 561 ? 0.5675 0.5213 0.6762 0.0044 -0.0586 -0.1087 643 ARG B NH2 9070 N N . ILE B 562 ? 0.5329 0.4602 0.6152 -0.0086 -0.0478 -0.1304 644 ILE B N 9071 C CA . ILE B 562 ? 0.5457 0.4671 0.6221 -0.0110 -0.0464 -0.1345 644 ILE B CA 9072 C C . ILE B 562 ? 0.5002 0.4269 0.5760 -0.0177 -0.0468 -0.1333 644 ILE B C 9073 O O . ILE B 562 ? 0.5584 0.4793 0.6321 -0.0224 -0.0452 -0.1316 644 ILE B O 9074 C CB . ILE B 562 ? 0.5580 0.4603 0.6267 -0.0111 -0.0424 -0.1371 644 ILE B CB 9075 C CG1 . ILE B 562 ? 0.3872 0.2826 0.4560 -0.0042 -0.0415 -0.1370 644 ILE B CG1 9076 C CG2 . ILE B 562 ? 0.6697 0.5656 0.7320 -0.0124 -0.0412 -0.1418 644 ILE B CG2 9077 C CD1 . ILE B 562 ? 0.3285 0.2298 0.3995 0.0022 -0.0432 -0.1392 644 ILE B CD1 9078 N N . LEU B 563 ? 0.4177 0.3549 0.4950 -0.0179 -0.0491 -0.1339 645 LEU B N 9079 C CA . LEU B 563 ? 0.3865 0.3289 0.4629 -0.0237 -0.0497 -0.1322 645 LEU B CA 9080 C C . LEU B 563 ? 0.5212 0.4533 0.5901 -0.0273 -0.0485 -0.1364 645 LEU B C 9081 O O . LEU B 563 ? 0.6235 0.5579 0.6907 -0.0322 -0.0493 -0.1355 645 LEU B O 9082 C CB . LEU B 563 ? 0.3137 0.2718 0.3947 -0.0223 -0.0525 -0.1300 645 LEU B CB 9083 C CG . LEU B 563 ? 0.4285 0.3981 0.5157 -0.0223 -0.0535 -0.1241 645 LEU B CG 9084 C CD1 . LEU B 563 ? 0.3290 0.2971 0.4200 -0.0188 -0.0532 -0.1226 645 LEU B CD1 9085 C CD2 . LEU B 563 ? 0.5828 0.5660 0.6734 -0.0199 -0.0557 -0.1222 645 LEU B CD2 9086 N N . LEU B 564 ? 0.5234 0.4436 0.5873 -0.0247 -0.0466 -0.1408 646 LEU B N 9087 C CA . LEU B 564 ? 0.5544 0.4633 0.6104 -0.0277 -0.0451 -0.1450 646 LEU B CA 9088 C C . LEU B 564 ? 0.7671 0.6659 0.8200 -0.0329 -0.0433 -0.1440 646 LEU B C 9089 O O . LEU B 564 ? 0.8633 0.7560 0.9171 -0.0321 -0.0414 -0.1422 646 LEU B O 9090 C CB . LEU B 564 ? 0.3898 0.2879 0.4408 -0.0228 -0.0430 -0.1496 646 LEU B CB 9091 C CG . LEU B 564 ? 0.4059 0.3101 0.4578 -0.0172 -0.0440 -0.1522 646 LEU B CG 9092 C CD1 . LEU B 564 ? 0.4042 0.3229 0.4648 -0.0131 -0.0466 -0.1488 646 LEU B CD1 9093 C CD2 . LEU B 564 ? 0.5782 0.4682 0.6243 -0.0125 -0.0407 -0.1560 646 LEU B CD2 9094 N N . LYS B 565 ? 0.7955 0.6922 0.8445 -0.0381 -0.0439 -0.1452 647 LYS B N 9095 C CA . LYS B 565 ? 0.7866 0.6743 0.8330 -0.0433 -0.0426 -0.1444 647 LYS B CA 9096 C C . LYS B 565 ? 1.0248 0.8992 1.0631 -0.0456 -0.0415 -0.1492 647 LYS B C 9097 O O . LYS B 565 ? 1.1920 1.0692 1.2275 -0.0479 -0.0435 -0.1512 647 LYS B O 9098 C CB . LYS B 565 ? 0.5660 0.4644 0.6167 -0.0479 -0.0448 -0.1403 647 LYS B CB 9099 N N . GLN B 566 ? 1.0013 0.8607 1.0351 -0.0451 -0.0384 -0.1509 648 GLN B N 9100 C CA . GLN B 566 ? 0.9301 0.7853 0.9663 -0.0423 -0.0360 -0.1483 648 GLN B CA 9101 C C . GLN B 566 ? 0.9820 0.8259 1.0139 -0.0366 -0.0332 -0.1513 648 GLN B C 9102 O O . GLN B 566 ? 0.9767 0.8052 1.0028 -0.0368 -0.0302 -0.1530 648 GLN B O 9103 C CB . GLN B 566 ? 0.9166 0.7633 0.9516 -0.0468 -0.0346 -0.1465 648 GLN B CB 9104 N N . HIS B 567 ? 0.9945 0.8460 1.0292 -0.0313 -0.0340 -0.1518 649 HIS B N 9105 C CA . HIS B 567 ? 0.9065 0.7486 0.9374 -0.0252 -0.0314 -0.1546 649 HIS B CA 9106 C C . HIS B 567 ? 0.9671 0.7993 0.9978 -0.0222 -0.0285 -0.1522 649 HIS B C 9107 O O . HIS B 567 ? 1.1079 0.9458 1.1437 -0.0230 -0.0293 -0.1481 649 HIS B O 9108 C CB . HIS B 567 ? 0.8126 0.6670 0.8478 -0.0201 -0.0335 -0.1551 649 HIS B CB 9109 C CG . HIS B 567 ? 0.8053 0.6512 0.8355 -0.0145 -0.0311 -0.1590 649 HIS B CG 9110 N ND1 . HIS B 567 ? 0.7520 0.6001 0.7787 -0.0142 -0.0318 -0.1629 649 HIS B ND1 9111 C CD2 . HIS B 567 ? 0.8935 0.7285 0.9212 -0.0088 -0.0278 -0.1594 649 HIS B CD2 9112 C CE1 . HIS B 567 ? 0.8083 0.6473 0.8307 -0.0085 -0.0289 -0.1657 649 HIS B CE1 9113 N NE2 . HIS B 567 ? 0.9311 0.7621 0.9542 -0.0050 -0.0264 -0.1635 649 HIS B NE2 9114 N N . ARG B 568 ? 0.8951 0.7199 0.9394 0.0195 -0.0908 -0.1239 650 ARG B N 9115 C CA . ARG B 568 ? 0.9878 0.7984 1.0317 0.0236 -0.0858 -0.1175 650 ARG B CA 9116 C C . ARG B 568 ? 0.8852 0.6978 0.9257 0.0332 -0.0851 -0.1130 650 ARG B C 9117 O O . ARG B 568 ? 0.8803 0.6906 0.9170 0.0358 -0.0831 -0.1173 650 ARG B O 9118 C CB . ARG B 568 ? 1.0958 0.8870 1.1373 0.0189 -0.0790 -0.1221 650 ARG B CB 9119 C CG . ARG B 568 ? 1.1191 0.9046 1.1653 0.0096 -0.0784 -0.1237 650 ARG B CG 9120 C CD . ARG B 568 ? 1.1519 0.9266 1.1955 0.0014 -0.0750 -0.1333 650 ARG B CD 9121 N NE . ARG B 568 ? 1.1464 0.9007 1.1842 0.0043 -0.0670 -0.1339 650 ARG B NE 9122 C CZ . ARG B 568 ? 1.1029 0.8533 1.1340 0.0084 -0.0646 -0.1380 650 ARG B CZ 9123 N NH1 . ARG B 568 ? 1.0888 0.8543 1.1181 0.0102 -0.0696 -0.1418 650 ARG B NH1 9124 N NH2 . ARG B 568 ? 1.0842 0.8149 1.1102 0.0113 -0.0568 -0.1378 650 ARG B NH2 9125 N N . VAL B 569 ? 0.7710 0.5881 0.8130 0.0381 -0.0868 -0.1046 651 VAL B N 9126 C CA . VAL B 569 ? 0.6907 0.5127 0.7305 0.0464 -0.0873 -0.1000 651 VAL B CA 9127 C C . VAL B 569 ? 0.7401 0.5527 0.7784 0.0507 -0.0834 -0.0922 651 VAL B C 9128 O O . VAL B 569 ? 0.8354 0.6456 0.8750 0.0491 -0.0832 -0.0872 651 VAL B O 9129 C CB . VAL B 569 ? 0.5865 0.4267 0.6282 0.0486 -0.0939 -0.0975 651 VAL B CB 9130 C CG1 . VAL B 569 ? 0.6307 0.4763 0.6706 0.0560 -0.0946 -0.0936 651 VAL B CG1 9131 C CG2 . VAL B 569 ? 0.3850 0.2351 0.4275 0.0451 -0.0973 -0.1046 651 VAL B CG2 9132 N N . CYS B 570 ? 0.6577 0.4654 0.6933 0.0566 -0.0801 -0.0910 652 CYS B N 9133 C CA . CYS B 570 ? 0.5559 0.3570 0.5896 0.0619 -0.0767 -0.0833 652 CYS B CA 9134 C C . CYS B 570 ? 0.7043 0.5186 0.7377 0.0678 -0.0809 -0.0791 652 CYS B C 9135 O O . CYS B 570 ? 0.8113 0.6351 0.8455 0.0694 -0.0840 -0.0827 652 CYS B O 9136 C CB . CYS B 570 ? 0.4577 0.2417 0.4890 0.0645 -0.0689 -0.0843 652 CYS B CB 9137 S SG . CYS B 570 ? 2.3290 2.0930 2.3599 0.0580 -0.0621 -0.0862 652 CYS B SG 9138 N N . LEU B 571 ? 0.6682 0.4829 0.7001 0.0708 -0.0809 -0.0716 653 LEU B N 9139 C CA . LEU B 571 ? 0.6048 0.4311 0.6359 0.0755 -0.0847 -0.0678 653 LEU B CA 9140 C C . LEU B 571 ? 0.5599 0.3794 0.5895 0.0821 -0.0806 -0.0645 653 LEU B C 9141 O O . LEU B 571 ? 0.6185 0.4290 0.6458 0.0844 -0.0767 -0.0591 653 LEU B O 9142 C CB . LEU B 571 ? 0.6186 0.4511 0.6482 0.0743 -0.0878 -0.0623 653 LEU B CB 9143 C CG . LEU B 571 ? 0.6459 0.4875 0.6775 0.0691 -0.0924 -0.0644 653 LEU B CG 9144 C CD1 . LEU B 571 ? 0.7577 0.6023 0.7868 0.0684 -0.0936 -0.0585 653 LEU B CD1 9145 C CD2 . LEU B 571 ? 0.6123 0.4676 0.6462 0.0694 -0.0973 -0.0686 653 LEU B CD2 9146 N N . LEU B 572 ? 0.4355 0.2594 0.4665 0.0856 -0.0812 -0.0675 654 LEU B N 9147 C CA . LEU B 572 ? 0.4042 0.2227 0.4348 0.0925 -0.0774 -0.0645 654 LEU B CA 9148 C C . LEU B 572 ? 0.5039 0.3353 0.5351 0.0962 -0.0822 -0.0607 654 LEU B C 9149 O O . LEU B 572 ? 0.4137 0.2571 0.4473 0.0960 -0.0865 -0.0638 654 LEU B O 9150 C CB . LEU B 572 ? 0.5053 0.3188 0.5373 0.0945 -0.0739 -0.0701 654 LEU B CB 9151 C CG . LEU B 572 ? 0.6343 0.4295 0.6648 0.0932 -0.0663 -0.0730 654 LEU B CG 9152 C CD1 . LEU B 572 ? 0.6319 0.4232 0.6616 0.0851 -0.0668 -0.0767 654 LEU B CD1 9153 C CD2 . LEU B 572 ? 0.7334 0.5251 0.7644 0.0958 -0.0630 -0.0787 654 LEU B CD2 9154 N N . GLN B 573 ? 0.6688 0.4975 0.6977 0.0996 -0.0813 -0.0542 655 GLN B N 9155 C CA . GLN B 573 ? 0.7094 0.5495 0.7380 0.1024 -0.0861 -0.0510 655 GLN B CA 9156 C C . GLN B 573 ? 0.5948 0.4355 0.6259 0.1098 -0.0846 -0.0493 655 GLN B C 9157 O O . GLN B 573 ? 0.5772 0.4068 0.6081 0.1146 -0.0789 -0.0462 655 GLN B O 9158 C CB . GLN B 573 ? 0.7971 0.6353 0.8212 0.1022 -0.0865 -0.0452 655 GLN B CB 9159 C CG . GLN B 573 ? 0.8247 0.6741 0.8474 0.1040 -0.0919 -0.0428 655 GLN B CG 9160 C CD . GLN B 573 ? 0.8152 0.6774 0.8392 0.0989 -0.0976 -0.0471 655 GLN B CD 9161 O OE1 . GLN B 573 ? 0.7827 0.6527 0.8107 0.0998 -0.0998 -0.0506 655 GLN B OE1 9162 N NE2 . GLN B 573 ? 0.8424 0.7062 0.8631 0.0940 -0.0993 -0.0466 655 GLN B NE2 9163 N N . GLN B 574 ? 0.5034 0.3570 0.5375 0.1109 -0.0892 -0.0510 656 GLN B N 9164 C CA . GLN B 574 ? 0.4787 0.3353 0.5162 0.1180 -0.0886 -0.0489 656 GLN B CA 9165 C C . GLN B 574 ? 0.6090 0.4774 0.6465 0.1187 -0.0945 -0.0464 656 GLN B C 9166 O O . GLN B 574 ? 0.6859 0.5581 0.7198 0.1139 -0.0982 -0.0465 656 GLN B O 9167 C CB . GLN B 574 ? 0.4541 0.3146 0.4968 0.1193 -0.0875 -0.0538 656 GLN B CB 9168 C CG . GLN B 574 ? 0.4457 0.2928 0.4882 0.1202 -0.0807 -0.0565 656 GLN B CG 9169 C CD . GLN B 574 ? 0.5776 0.4201 0.6171 0.1128 -0.0807 -0.0611 656 GLN B CD 9170 O OE1 . GLN B 574 ? 0.5477 0.3767 0.5853 0.1120 -0.0753 -0.0624 656 GLN B OE1 9171 N NE2 . GLN B 574 ? 0.7146 0.5683 0.7542 0.1075 -0.0864 -0.0635 656 GLN B NE2 9172 N N . GLN B 575 ? 0.6793 0.5532 0.7210 0.1249 -0.0951 -0.0444 657 GLN B N 9173 C CA . GLN B 575 ? 0.7251 0.6096 0.7672 0.1260 -0.1006 -0.0424 657 GLN B CA 9174 C C . GLN B 575 ? 0.7057 0.6031 0.7523 0.1224 -0.1050 -0.0472 657 GLN B C 9175 O O . GLN B 575 ? 0.8111 0.7167 0.8578 0.1213 -0.1097 -0.0469 657 GLN B O 9176 C CB . GLN B 575 ? 0.8509 0.7359 0.8961 0.1348 -0.0995 -0.0371 657 GLN B CB 9177 C CG . GLN B 575 ? 1.0776 0.9505 1.1179 0.1387 -0.0955 -0.0310 657 GLN B CG 9178 C CD . GLN B 575 ? 1.3571 1.2312 1.4010 0.1481 -0.0944 -0.0251 657 GLN B CD 9179 O OE1 . GLN B 575 ? 1.4109 1.2944 1.4618 0.1519 -0.0959 -0.0256 657 GLN B OE1 9180 N NE2 . GLN B 575 ? 1.4953 1.3604 1.5352 0.1521 -0.0915 -0.0190 657 GLN B NE2 9181 N N . GLN B 576 ? 0.6304 0.5292 0.6810 0.1207 -0.1031 -0.0517 658 GLN B N 9182 C CA . GLN B 576 ? 0.5364 0.4470 0.5920 0.1177 -0.1061 -0.0558 658 GLN B CA 9183 C C . GLN B 576 ? 0.4617 0.3720 0.5151 0.1108 -0.1064 -0.0604 658 GLN B C 9184 O O . GLN B 576 ? 0.4810 0.4000 0.5366 0.1069 -0.1092 -0.0632 658 GLN B O 9185 C CB . GLN B 576 ? 0.6428 0.5582 0.7064 0.1232 -0.1037 -0.0566 658 GLN B CB 9186 C CG . GLN B 576 ? 0.7486 0.6678 0.8166 0.1305 -0.1040 -0.0517 658 GLN B CG 9187 C CD . GLN B 576 ? 0.8608 0.7926 0.9325 0.1293 -0.1095 -0.0515 658 GLN B CD 9188 O OE1 . GLN B 576 ? 0.9306 0.8726 1.0106 0.1303 -0.1101 -0.0531 658 GLN B OE1 9189 N NE2 . GLN B 576 ? 0.9294 0.8600 0.9953 0.1273 -0.1133 -0.0495 658 GLN B NE2 9190 N N . PHE B 577 ? 0.5221 0.4225 0.5717 0.1094 -0.1033 -0.0610 659 PHE B N 9191 C CA . PHE B 577 ? 0.5741 0.4750 0.6223 0.1035 -0.1038 -0.0651 659 PHE B CA 9192 C C . PHE B 577 ? 0.5746 0.4648 0.6174 0.1008 -0.1020 -0.0640 659 PHE B C 9193 O O . PHE B 577 ? 0.6242 0.5046 0.6649 0.1040 -0.0987 -0.0607 659 PHE B O 9194 C CB . PHE B 577 ? 0.6407 0.5435 0.6932 0.1049 -0.1014 -0.0697 659 PHE B CB 9195 C CG . PHE B 577 ? 0.6999 0.5915 0.7520 0.1093 -0.0959 -0.0699 659 PHE B CG 9196 C CD1 . PHE B 577 ? 0.6519 0.5417 0.7072 0.1162 -0.0930 -0.0672 659 PHE B CD1 9197 C CD2 . PHE B 577 ? 0.7551 0.6375 0.8040 0.1065 -0.0933 -0.0729 659 PHE B CD2 9198 C CE1 . PHE B 577 ? 0.6895 0.5676 0.7442 0.1204 -0.0870 -0.0673 659 PHE B CE1 9199 C CE2 . PHE B 577 ? 0.7656 0.6357 0.8136 0.1099 -0.0875 -0.0737 659 PHE B CE2 9200 C CZ . PHE B 577 ? 0.7244 0.5918 0.7751 0.1170 -0.0840 -0.0709 659 PHE B CZ 9201 N N . LEU B 578 ? 0.5863 0.4787 0.6277 0.0951 -0.1038 -0.0665 660 LEU B N 9202 C CA . LEU B 578 ? 0.5734 0.4569 0.6114 0.0919 -0.1020 -0.0661 660 LEU B CA 9203 C C . LEU B 578 ? 0.5554 0.4386 0.5952 0.0895 -0.1011 -0.0716 660 LEU B C 9204 O O . LEU B 578 ? 0.5756 0.4684 0.6176 0.0876 -0.1039 -0.0747 660 LEU B O 9205 C CB . LEU B 578 ? 0.5407 0.4271 0.5753 0.0875 -0.1049 -0.0637 660 LEU B CB 9206 C CG . LEU B 578 ? 0.5575 0.4361 0.5898 0.0839 -0.1031 -0.0630 660 LEU B CG 9207 C CD1 . LEU B 578 ? 0.6309 0.4962 0.6609 0.0868 -0.0983 -0.0596 660 LEU B CD1 9208 C CD2 . LEU B 578 ? 0.5332 0.4163 0.5628 0.0798 -0.1059 -0.0608 660 LEU B CD2 9209 N N . THR B 579 ? 0.5086 0.3802 0.5474 0.0897 -0.0968 -0.0729 661 THR B N 9210 C CA . THR B 579 ? 0.5314 0.4014 0.5712 0.0876 -0.0957 -0.0790 661 THR B CA 9211 C C . THR B 579 ? 0.5391 0.4011 0.5771 0.0826 -0.0944 -0.0804 661 THR B C 9212 O O . THR B 579 ? 0.5782 0.4287 0.6142 0.0825 -0.0909 -0.0776 661 THR B O 9213 C CB . THR B 579 ? 0.4815 0.3446 0.5221 0.0921 -0.0908 -0.0820 661 THR B CB 9214 O OG1 . THR B 579 ? 0.4955 0.3540 0.5351 0.0893 -0.0889 -0.0884 661 THR B OG1 9215 C CG2 . THR B 579 ? 0.3215 0.1714 0.3603 0.0957 -0.0858 -0.0780 661 THR B CG2 9216 N N . GLY B 580 ? 0.4598 0.3280 0.4988 0.0787 -0.0971 -0.0846 662 GLY B N 9217 C CA . GLY B 580 ? 0.6125 0.4745 0.6509 0.0735 -0.0963 -0.0871 662 GLY B CA 9218 C C . GLY B 580 ? 0.6766 0.5297 0.7139 0.0726 -0.0923 -0.0938 662 GLY B C 9219 O O . GLY B 580 ? 0.6287 0.4880 0.6663 0.0726 -0.0935 -0.0991 662 GLY B O 9220 N N . TYR B 581 ? 0.7015 0.5394 0.7370 0.0719 -0.0870 -0.0938 663 TYR B N 9221 C CA . TYR B 581 ? 0.6928 0.5197 0.7261 0.0709 -0.0821 -0.1005 663 TYR B CA 9222 C C . TYR B 581 ? 0.7510 0.5730 0.7835 0.0632 -0.0818 -0.1060 663 TYR B C 9223 O O . TYR B 581 ? 0.7384 0.5577 0.7722 0.0592 -0.0824 -0.1032 663 TYR B O 9224 C CB . TYR B 581 ? 0.6145 0.4259 0.6459 0.0749 -0.0753 -0.0978 663 TYR B CB 9225 C CG . TYR B 581 ? 0.6503 0.4509 0.6789 0.0761 -0.0696 -0.1041 663 TYR B CG 9226 C CD1 . TYR B 581 ? 0.7992 0.6042 0.8280 0.0823 -0.0688 -0.1049 663 TYR B CD1 9227 C CD2 . TYR B 581 ? 0.6642 0.4498 0.6898 0.0710 -0.0646 -0.1095 663 TYR B CD2 9228 C CE1 . TYR B 581 ? 0.8348 0.6293 0.8605 0.0839 -0.0629 -0.1106 663 TYR B CE1 9229 C CE2 . TYR B 581 ? 0.7288 0.5033 0.7506 0.0719 -0.0589 -0.1157 663 TYR B CE2 9230 C CZ . TYR B 581 ? 0.7730 0.5518 0.7946 0.0787 -0.0580 -0.1161 663 TYR B CZ 9231 O OH . TYR B 581 ? 0.7863 0.5533 0.8036 0.0801 -0.0517 -0.1222 663 TYR B OH 9232 N N . SER B 582 ? 0.7875 0.6087 0.8178 0.0609 -0.0809 -0.1140 664 SER B N 9233 C CA . SER B 582 ? 0.7030 0.5208 0.7321 0.0528 -0.0810 -0.1207 664 SER B CA 9234 C C . SER B 582 ? 0.7430 0.5412 0.7684 0.0498 -0.0739 -0.1253 664 SER B C 9235 O O . SER B 582 ? 0.7068 0.4968 0.7285 0.0536 -0.0693 -0.1279 664 SER B O 9236 C CB . SER B 582 ? 0.6076 0.4373 0.6351 0.0515 -0.0845 -0.1272 664 SER B CB 9237 O OG . SER B 582 ? 0.6832 0.5097 0.7086 0.0434 -0.0844 -0.1345 664 SER B OG 9238 N N . LEU B 583 ? 0.7940 0.5839 0.8202 0.0429 -0.0726 -0.1261 665 LEU B N 9239 C CA . LEU B 583 ? 0.8489 0.6189 0.8715 0.0388 -0.0656 -0.1308 665 LEU B CA 9240 C C . LEU B 583 ? 0.8987 0.6679 0.9171 0.0318 -0.0660 -0.1416 665 LEU B C 9241 O O . LEU B 583 ? 0.9987 0.7519 1.0116 0.0297 -0.0600 -0.1474 665 LEU B O 9242 C CB . LEU B 583 ? 0.7785 0.5388 0.8039 0.0341 -0.0635 -0.1270 665 LEU B CB 9243 C CG . LEU B 583 ? 0.6898 0.4406 0.7160 0.0404 -0.0590 -0.1176 665 LEU B CG 9244 C CD1 . LEU B 583 ? 0.6413 0.3861 0.6640 0.0491 -0.0544 -0.1159 665 LEU B CD1 9245 C CD2 . LEU B 583 ? 0.7739 0.5389 0.8046 0.0430 -0.0647 -0.1095 665 LEU B CD2 9246 N N . ASP B 584 ? 0.8306 0.6169 0.8508 0.0283 -0.0728 -0.1443 666 ASP B N 9247 C CA . ASP B 584 ? 0.8888 0.6777 0.9046 0.0214 -0.0742 -0.1543 666 ASP B CA 9248 C C . ASP B 584 ? 0.8525 0.6438 0.8622 0.0267 -0.0731 -0.1588 666 ASP B C 9249 O O . ASP B 584 ? 0.9397 0.7261 0.9425 0.0224 -0.0716 -0.1677 666 ASP B O 9250 C CB . ASP B 584 ? 0.9135 0.7206 0.9333 0.0162 -0.0816 -0.1548 666 ASP B CB 9251 C CG . ASP B 584 ? 0.8853 0.6902 0.9115 0.0102 -0.0826 -0.1512 666 ASP B CG 9252 O OD1 . ASP B 584 ? 0.8004 0.5879 0.8263 0.0066 -0.0773 -0.1520 666 ASP B OD1 9253 O OD2 . ASP B 584 ? 0.9391 0.7589 0.9707 0.0094 -0.0881 -0.1474 666 ASP B OD2 9254 N N . LEU B 585 ? 0.7625 0.5613 0.7743 0.0359 -0.0740 -0.1527 667 LEU B N 9255 C CA . LEU B 585 ? 0.7458 0.5481 0.7531 0.0418 -0.0729 -0.1560 667 LEU B CA 9256 C C . LEU B 585 ? 0.8227 0.6120 0.8289 0.0493 -0.0664 -0.1531 667 LEU B C 9257 O O . LEU B 585 ? 0.8583 0.6463 0.8604 0.0541 -0.0636 -0.1565 667 LEU B O 9258 C CB . LEU B 585 ? 0.6138 0.4368 0.6247 0.0464 -0.0792 -0.1521 667 LEU B CB 9259 C CG . LEU B 585 ? 0.6087 0.4459 0.6173 0.0420 -0.0842 -0.1574 667 LEU B CG 9260 C CD1 . LEU B 585 ? 0.5544 0.3939 0.5656 0.0331 -0.0874 -0.1582 667 LEU B CD1 9261 C CD2 . LEU B 585 ? 0.6810 0.5359 0.6928 0.0482 -0.0887 -0.1528 667 LEU B CD2 9262 N N . LEU B 586 ? 0.8329 0.6128 0.8426 0.0506 -0.0635 -0.1465 668 LEU B N 9263 C CA . LEU B 586 ? 0.9036 0.6720 0.9129 0.0583 -0.0573 -0.1422 668 LEU B CA 9264 C C . LEU B 586 ? 0.9316 0.7131 0.9436 0.0671 -0.0595 -0.1382 668 LEU B C 9265 O O . LEU B 586 ? 0.9004 0.6750 0.9106 0.0735 -0.0544 -0.1382 668 LEU B O 9266 C CB . LEU B 586 ? 0.9410 0.6892 0.9431 0.0572 -0.0490 -0.1493 668 LEU B CB 9267 C CG . LEU B 586 ? 1.0114 0.7424 1.0104 0.0488 -0.0451 -0.1529 668 LEU B CG 9268 C CD1 . LEU B 586 ? 1.0752 0.7841 1.0662 0.0492 -0.0359 -0.1589 668 LEU B CD1 9269 C CD2 . LEU B 586 ? 1.0141 0.7410 1.0185 0.0495 -0.0443 -0.1439 668 LEU B CD2 9270 N N . MSE B 587 ? 0.8736 0.6734 0.8900 0.0674 -0.0669 -0.1346 669 MSE B N 9271 C CA . MSE B 587 ? 0.7711 0.5843 0.7907 0.0746 -0.0696 -0.1306 669 MSE B CA 9272 C C . MSE B 587 ? 0.6330 0.4611 0.6581 0.0743 -0.0766 -0.1239 669 MSE B C 9273 O O . MSE B 587 ? 0.6841 0.5159 0.7099 0.0684 -0.0801 -0.1243 669 MSE B O 9274 C CB . MSE B 587 ? 0.7954 0.6156 0.8115 0.0755 -0.0702 -0.1376 669 MSE B CB 9275 C CG . MSE B 587 ? 0.7939 0.6243 0.8083 0.0692 -0.0754 -0.1423 669 MSE B CG 9276 SE SE . MSE B 587 ? 1.8827 1.7200 1.8903 0.0711 -0.0748 -0.1513 669 MSE B SE 9277 C CE . MSE B 587 ? 0.9779 0.7907 0.9768 0.0698 -0.0654 -0.1593 669 MSE B CE 9278 N N . PRO B 588 ? 0.5273 0.3638 0.5562 0.0805 -0.0782 -0.1177 670 PRO B N 9279 C CA . PRO B 588 ? 0.5244 0.3735 0.5575 0.0802 -0.0842 -0.1114 670 PRO B CA 9280 C C . PRO B 588 ? 0.5425 0.4059 0.5765 0.0774 -0.0896 -0.1140 670 PRO B C 9281 O O . PRO B 588 ? 0.7064 0.5755 0.7391 0.0792 -0.0895 -0.1185 670 PRO B O 9282 C CB . PRO B 588 ? 0.4883 0.3428 0.5243 0.0871 -0.0841 -0.1065 670 PRO B CB 9283 C CG . PRO B 588 ? 0.4324 0.2830 0.4668 0.0911 -0.0796 -0.1114 670 PRO B CG 9284 C CD . PRO B 588 ? 0.5845 0.4191 0.6138 0.0878 -0.0744 -0.1168 670 PRO B CD 9285 N N . LEU B 589 ? 0.3116 0.1800 0.3474 0.0734 -0.0936 -0.1110 671 LEU B N 9286 C CA . LEU B 589 ? 0.4345 0.3164 0.4715 0.0714 -0.0984 -0.1122 671 LEU B CA 9287 C C . LEU B 589 ? 0.4491 0.3434 0.4894 0.0757 -0.1016 -0.1074 671 LEU B C 9288 O O . LEU B 589 ? 0.4559 0.3606 0.4968 0.0770 -0.1035 -0.1096 671 LEU B O 9289 C CB . LEU B 589 ? 0.3848 0.2667 0.4229 0.0658 -0.1008 -0.1106 671 LEU B CB 9290 C CG . LEU B 589 ? 0.4200 0.2918 0.4556 0.0598 -0.0983 -0.1163 671 LEU B CG 9291 C CD1 . LEU B 589 ? 0.4020 0.2758 0.4400 0.0543 -0.1010 -0.1143 671 LEU B CD1 9292 C CD2 . LEU B 589 ? 0.5307 0.4053 0.5624 0.0585 -0.0977 -0.1245 671 LEU B CD2 9293 N N . TRP B 590 ? 0.4329 0.3256 0.4747 0.0774 -0.1019 -0.1012 672 TRP B N 9294 C CA . TRP B 590 ? 0.3001 0.2034 0.3446 0.0802 -0.1046 -0.0972 672 TRP B CA 9295 C C . TRP B 590 ? 0.3747 0.2734 0.4196 0.0832 -0.1029 -0.0925 672 TRP B C 9296 O O . TRP B 590 ? 0.3884 0.2762 0.4314 0.0830 -0.1004 -0.0905 672 TRP B O 9297 C CB . TRP B 590 ? 0.3290 0.2405 0.3745 0.0771 -0.1089 -0.0938 672 TRP B CB 9298 C CG . TRP B 590 ? 0.3653 0.2697 0.4095 0.0739 -0.1091 -0.0902 672 TRP B CG 9299 C CD1 . TRP B 590 ? 0.3938 0.2944 0.4377 0.0700 -0.1092 -0.0918 672 TRP B CD1 9300 C CD2 . TRP B 590 ? 0.4512 0.3515 0.4941 0.0743 -0.1088 -0.0844 672 TRP B CD2 9301 N NE1 . TRP B 590 ? 0.4086 0.3026 0.4516 0.0680 -0.1087 -0.0872 672 TRP B NE1 9302 C CE2 . TRP B 590 ? 0.4174 0.3111 0.4592 0.0708 -0.1084 -0.0825 672 TRP B CE2 9303 C CE3 . TRP B 590 ? 0.5102 0.4119 0.5527 0.0771 -0.1087 -0.0810 672 TRP B CE3 9304 C CZ2 . TRP B 590 ? 0.3949 0.2829 0.4343 0.0707 -0.1074 -0.0770 672 TRP B CZ2 9305 C CZ3 . TRP B 590 ? 0.4692 0.3656 0.5091 0.0769 -0.1082 -0.0758 672 TRP B CZ3 9306 C CH2 . TRP B 590 ? 0.3883 0.2778 0.4263 0.0739 -0.1073 -0.0738 672 TRP B CH2 9307 N N . ALA B 591 ? 0.4545 0.3614 0.5017 0.0861 -0.1040 -0.0908 673 ALA B N 9308 C CA . ALA B 591 ? 0.4763 0.3812 0.5243 0.0892 -0.1031 -0.0865 673 ALA B CA 9309 C C . ALA B 591 ? 0.4371 0.3528 0.4871 0.0884 -0.1065 -0.0838 673 ALA B C 9310 O O . ALA B 591 ? 0.5078 0.4322 0.5607 0.0890 -0.1070 -0.0859 673 ALA B O 9311 C CB . ALA B 591 ? 0.2757 0.1768 0.3254 0.0945 -0.0989 -0.0883 673 ALA B CB 9312 N N . SER B 592 ? 0.3592 0.2735 0.4071 0.0869 -0.1081 -0.0793 674 SER B N 9313 C CA . SER B 592 ? 0.4095 0.3319 0.4580 0.0852 -0.1109 -0.0774 674 SER B CA 9314 C C . SER B 592 ? 0.4243 0.3465 0.4740 0.0887 -0.1106 -0.0746 674 SER B C 9315 O O . SER B 592 ? 0.2525 0.1670 0.3000 0.0912 -0.1093 -0.0717 674 SER B O 9316 C CB . SER B 592 ? 0.2329 0.1547 0.2774 0.0806 -0.1130 -0.0751 674 SER B CB 9317 O OG . SER B 592 ? 0.4224 0.3503 0.4667 0.0786 -0.1148 -0.0740 674 SER B OG 9318 N N . TYR B 593 ? 0.4103 0.3409 0.4640 0.0892 -0.1115 -0.0752 675 TYR B N 9319 C CA . TYR B 593 ? 0.3646 0.2969 0.4207 0.0927 -0.1120 -0.0728 675 TYR B CA 9320 C C . TYR B 593 ? 0.3429 0.2839 0.4023 0.0905 -0.1139 -0.0733 675 TYR B C 9321 O O . TYR B 593 ? 0.3227 0.2688 0.3838 0.0875 -0.1136 -0.0757 675 TYR B O 9322 C CB . TYR B 593 ? 0.3248 0.2567 0.3859 0.0987 -0.1090 -0.0731 675 TYR B CB 9323 C CG . TYR B 593 ? 0.3505 0.2892 0.4170 0.0996 -0.1072 -0.0767 675 TYR B CG 9324 C CD1 . TYR B 593 ? 0.3749 0.3108 0.4398 0.0991 -0.1052 -0.0801 675 TYR B CD1 9325 C CD2 . TYR B 593 ? 0.2436 0.1916 0.3169 0.1012 -0.1072 -0.0765 675 TYR B CD2 9326 C CE1 . TYR B 593 ? 0.4080 0.3499 0.4769 0.1005 -0.1031 -0.0833 675 TYR B CE1 9327 C CE2 . TYR B 593 ? 0.4215 0.3757 0.5000 0.1025 -0.1047 -0.0792 675 TYR B CE2 9328 C CZ . TYR B 593 ? 0.3953 0.3463 0.4709 0.1023 -0.1025 -0.0826 675 TYR B CZ 9329 O OH . TYR B 593 ? 0.3607 0.3176 0.4404 0.1041 -0.0996 -0.0852 675 TYR B OH 9330 N N . THR B 594 ? 0.3525 0.2949 0.4131 0.0924 -0.1156 -0.0710 676 THR B N 9331 C CA . THR B 594 ? 0.4030 0.3526 0.4674 0.0905 -0.1173 -0.0717 676 THR B CA 9332 C C . THR B 594 ? 0.5234 0.4805 0.5969 0.0951 -0.1170 -0.0714 676 THR B C 9333 O O . THR B 594 ? 0.6113 0.5675 0.6862 0.1001 -0.1175 -0.0689 676 THR B O 9334 C CB . THR B 594 ? 0.4400 0.3861 0.4988 0.0887 -0.1203 -0.0697 676 THR B CB 9335 O OG1 . THR B 594 ? 0.3268 0.2671 0.3780 0.0843 -0.1201 -0.0696 676 THR B OG1 9336 C CG2 . THR B 594 ? 0.4809 0.4334 0.5442 0.0871 -0.1220 -0.0709 676 THR B CG2 9337 N N . PHE B 595 ? 0.5291 0.4942 0.6094 0.0939 -0.1160 -0.0733 677 PHE B N 9338 C CA . PHE B 595 ? 0.5584 0.5325 0.6492 0.0979 -0.1153 -0.0728 677 PHE B CA 9339 C C . PHE B 595 ? 0.6268 0.6071 0.7221 0.0953 -0.1181 -0.0729 677 PHE B C 9340 O O . PHE B 595 ? 0.7084 0.6908 0.8046 0.0911 -0.1174 -0.0747 677 PHE B O 9341 C CB . PHE B 595 ? 0.5591 0.5378 0.6553 0.0992 -0.1112 -0.0747 677 PHE B CB 9342 C CG . PHE B 595 ? 0.6777 0.6660 0.7855 0.1040 -0.1096 -0.0737 677 PHE B CG 9343 C CD1 . PHE B 595 ? 0.7571 0.7448 0.8676 0.1103 -0.1087 -0.0715 677 PHE B CD1 9344 C CD2 . PHE B 595 ? 0.7948 0.7927 0.9113 0.1027 -0.1084 -0.0744 677 PHE B CD2 9345 C CE1 . PHE B 595 ? 0.7526 0.7499 0.8744 0.1152 -0.1069 -0.0699 677 PHE B CE1 9346 C CE2 . PHE B 595 ? 0.8212 0.8290 0.9496 0.1073 -0.1067 -0.0730 677 PHE B CE2 9347 C CZ . PHE B 595 ? 0.7308 0.7387 0.8619 0.1135 -0.1060 -0.0707 677 PHE B CZ 9348 N N . LEU B 596 ? 0.6336 0.6170 0.7322 0.0984 -0.1212 -0.0709 678 LEU B N 9349 C CA . LEU B 596 ? 0.7645 0.7530 0.8669 0.0964 -0.1249 -0.0712 678 LEU B CA 9350 C C . LEU B 596 ? 0.9195 0.9206 1.0357 0.0969 -0.1242 -0.0718 678 LEU B C 9351 O O . LEU B 596 ? 1.0634 1.0693 1.1859 0.0991 -0.1204 -0.0718 678 LEU B O 9352 C CB . LEU B 596 ? 0.8547 0.8418 0.9541 0.0996 -0.1291 -0.0687 678 LEU B CB 9353 C CG . LEU B 596 ? 0.9387 0.9139 1.0245 0.0982 -0.1302 -0.0679 678 LEU B CG 9354 C CD1 . LEU B 596 ? 1.0645 1.0327 1.1451 0.1012 -0.1274 -0.0660 678 LEU B CD1 9355 C CD2 . LEU B 596 ? 0.9487 0.9241 1.0317 0.1001 -0.1351 -0.0662 678 LEU B CD2 9356 N N . SER B 597 ? 0.9301 0.9368 1.0515 0.0950 -0.1278 -0.0724 679 SER B N 9357 C CA . SER B 597 ? 0.9963 1.0156 1.1321 0.0944 -0.1274 -0.0731 679 SER B CA 9358 C C . SER B 597 ? 1.1001 1.1301 1.2473 0.1001 -0.1265 -0.0708 679 SER B C 9359 O O . SER B 597 ? 1.1124 1.1500 1.2692 0.1008 -0.1227 -0.0709 679 SER B O 9360 C CB . SER B 597 ? 1.0088 1.0320 1.1484 0.0915 -0.1324 -0.0743 679 SER B CB 9361 O OG . SER B 597 ? 1.0728 1.0844 1.1999 0.0881 -0.1339 -0.0755 679 SER B OG 9362 N N . ASN B 598 ? 1.1821 1.2131 1.3284 0.1047 -0.1295 -0.0682 680 ASN B N 9363 C CA . ASN B 598 ? 1.2255 1.2667 1.3827 0.1110 -0.1282 -0.0652 680 ASN B CA 9364 C C . ASN B 598 ? 1.2671 1.3027 1.4177 0.1170 -0.1287 -0.0619 680 ASN B C 9365 O O . ASN B 598 ? 1.3568 1.3953 1.5071 0.1193 -0.1334 -0.0597 680 ASN B O 9366 C CB . ASN B 598 ? 1.2244 1.2814 1.3963 0.1113 -0.1320 -0.0645 680 ASN B CB 9367 C CG . ASN B 598 ? 1.1831 1.2529 1.3696 0.1166 -0.1287 -0.0618 680 ASN B CG 9368 O OD1 . ASN B 598 ? 1.1698 1.2363 1.3558 0.1193 -0.1228 -0.0614 680 ASN B OD1 9369 N ND2 . ASN B 598 ? 1.1399 1.2249 1.3397 0.1182 -0.1326 -0.0600 680 ASN B ND2 9370 N N . ASP B 599 ? 1.1983 1.2260 1.3438 0.1196 -0.1237 -0.0615 681 ASP B N 9371 C CA . ASP B 599 ? 1.1786 1.1999 1.3187 0.1257 -0.1230 -0.0581 681 ASP B CA 9372 C C . ASP B 599 ? 1.1851 1.2015 1.3251 0.1294 -0.1165 -0.0580 681 ASP B C 9373 O O . ASP B 599 ? 1.1446 1.1696 1.2953 0.1334 -0.1132 -0.0570 681 ASP B O 9374 C CB . ASP B 599 ? 1.1227 1.1312 1.2482 0.1231 -0.1256 -0.0583 681 ASP B CB 9375 C CG . ASP B 599 ? 1.0650 1.0635 1.1813 0.1168 -0.1234 -0.0621 681 ASP B CG 9376 O OD1 . ASP B 599 ? 1.1162 1.1188 1.2368 0.1127 -0.1219 -0.0650 681 ASP B OD1 9377 O OD2 . ASP B 599 ? 0.9413 0.9282 1.0464 0.1161 -0.1231 -0.0617 681 ASP B OD2 9378 N N . ASN B 608 ? 0.8542 0.6781 0.9350 0.1905 -0.0030 -0.0915 690 ASN B N 9379 C CA . ASN B 608 ? 0.9307 0.7314 1.0027 0.1898 0.0049 -0.0967 690 ASN B CA 9380 C C . ASN B 608 ? 0.8974 0.6875 0.9690 0.1889 0.0045 -0.0919 690 ASN B C 9381 O O . ASN B 608 ? 0.8104 0.5804 0.8762 0.1881 0.0113 -0.0951 690 ASN B O 9382 C CB . ASN B 608 ? 1.0920 0.8850 1.1681 0.1985 0.0163 -0.0979 690 ASN B CB 9383 C CG . ASN B 608 ? 1.1801 0.9509 1.2547 0.2012 0.0255 -0.0987 690 ASN B CG 9384 O OD1 . ASN B 608 ? 1.2824 1.0524 1.3672 0.2078 0.0284 -0.0912 690 ASN B OD1 9385 N ND2 . ASN B 608 ? 1.0877 0.8406 1.1504 0.1959 0.0303 -0.1082 690 ASN B ND2 9386 N N . CYS B 609 ? 0.9456 0.7491 1.0224 0.1881 -0.0038 -0.0848 691 CYS B N 9387 C CA . CYS B 609 ? 0.8871 0.6822 0.9635 0.1876 -0.0045 -0.0796 691 CYS B CA 9388 C C . CYS B 609 ? 0.8510 0.6477 0.9200 0.1776 -0.0129 -0.0817 691 CYS B C 9389 O O . CYS B 609 ? 0.8315 0.6433 0.9004 0.1726 -0.0210 -0.0833 691 CYS B O 9390 C CB . CYS B 609 ? 0.8257 0.6331 0.9138 0.1951 -0.0067 -0.0693 691 CYS B CB 9391 S SG . CYS B 609 ? 1.3135 1.1153 1.4004 0.1938 -0.0101 -0.0622 691 CYS B SG 9392 N N . LEU B 610 ? 0.8042 0.5849 0.8680 0.1749 -0.0100 -0.0815 692 LEU B N 9393 C CA . LEU B 610 ? 0.8517 0.6317 0.9093 0.1659 -0.0166 -0.0828 692 LEU B CA 9394 C C . LEU B 610 ? 1.0026 0.7686 1.0594 0.1669 -0.0128 -0.0776 692 LEU B C 9395 O O . LEU B 610 ? 1.1046 0.8562 1.1635 0.1726 -0.0036 -0.0759 692 LEU B O 9396 C CB . LEU B 610 ? 0.8500 0.6226 0.8983 0.1574 -0.0165 -0.0929 692 LEU B CB 9397 C CG . LEU B 610 ? 0.8588 0.6461 0.9060 0.1536 -0.0223 -0.0985 692 LEU B CG 9398 C CD1 . LEU B 610 ? 0.7521 0.5284 0.7901 0.1476 -0.0194 -0.1087 692 LEU B CD1 9399 C CD2 . LEU B 610 ? 0.9554 0.7598 1.0048 0.1482 -0.0331 -0.0958 692 LEU B CD2 9400 N N . TYR B 611 ? 1.0200 0.7900 1.0745 0.1612 -0.0195 -0.0751 693 TYR B N 9401 C CA . TYR B 611 ? 0.8946 0.6520 0.9481 0.1616 -0.0161 -0.0699 693 TYR B CA 9402 C C . TYR B 611 ? 0.8198 0.5662 0.8652 0.1518 -0.0164 -0.0754 693 TYR B C 9403 O O . TYR B 611 ? 0.8586 0.6150 0.9009 0.1445 -0.0240 -0.0793 693 TYR B O 9404 C CB . TYR B 611 ? 0.7803 0.5513 0.8386 0.1645 -0.0228 -0.0609 693 TYR B CB 9405 C CG . TYR B 611 ? 0.8833 0.6644 0.9506 0.1745 -0.0223 -0.0544 693 TYR B CG 9406 C CD1 . TYR B 611 ? 0.9290 0.7284 1.0009 0.1760 -0.0278 -0.0552 693 TYR B CD1 9407 C CD2 . TYR B 611 ? 0.8865 0.6595 0.9593 0.1825 -0.0163 -0.0472 693 TYR B CD2 9408 C CE1 . TYR B 611 ? 0.9147 0.7246 0.9960 0.1848 -0.0274 -0.0493 693 TYR B CE1 9409 C CE2 . TYR B 611 ? 0.8742 0.6582 0.9569 0.1916 -0.0164 -0.0410 693 TYR B CE2 9410 C CZ . TYR B 611 ? 0.8940 0.6965 0.9806 0.1927 -0.0220 -0.0421 693 TYR B CZ 9411 O OH . TYR B 611 ? 0.8742 0.6883 0.9715 0.2015 -0.0222 -0.0358 693 TYR B OH 9412 N N . GLN B 612 ? 0.7750 0.5009 0.8179 0.1516 -0.0078 -0.0756 694 GLN B N 9413 C CA . GLN B 612 ? 0.8285 0.5428 0.8641 0.1420 -0.0071 -0.0811 694 GLN B CA 9414 C C . GLN B 612 ? 0.7987 0.5194 0.8343 0.1382 -0.0134 -0.0755 694 GLN B C 9415 O O . GLN B 612 ? 0.8321 0.5511 0.8713 0.1433 -0.0117 -0.0672 694 GLN B O 9416 C CB . GLN B 612 ? 0.9259 0.6150 0.9589 0.1425 0.0050 -0.0836 694 GLN B CB 9417 C CG . GLN B 612 ? 1.0218 0.6973 1.0471 0.1321 0.0064 -0.0896 694 GLN B CG 9418 C CD . GLN B 612 ? 1.1291 0.7784 1.1519 0.1324 0.0191 -0.0919 694 GLN B CD 9419 O OE1 . GLN B 612 ? 1.1603 0.7957 1.1780 0.1256 0.0220 -0.0939 694 GLN B OE1 9420 N NE2 . GLN B 612 ? 1.1963 0.8385 1.2234 0.1402 0.0272 -0.0917 694 GLN B NE2 9421 N N . ASP B 613 ? 0.7986 0.5277 0.8308 0.1296 -0.0208 -0.0800 695 ASP B N 9422 C CA . ASP B 613 ? 0.8074 0.5418 0.8392 0.1253 -0.0263 -0.0756 695 ASP B CA 9423 C C . ASP B 613 ? 0.7673 0.4820 0.7953 0.1205 -0.0196 -0.0765 695 ASP B C 9424 O O . ASP B 613 ? 0.7714 0.4789 0.7951 0.1127 -0.0188 -0.0842 695 ASP B O 9425 C CB . ASP B 613 ? 0.8594 0.6107 0.8905 0.1183 -0.0362 -0.0796 695 ASP B CB 9426 C CG . ASP B 613 ? 0.9875 0.7489 1.0195 0.1161 -0.0428 -0.0736 695 ASP B CG 9427 O OD1 . ASP B 613 ? 1.0381 0.7893 1.0690 0.1162 -0.0391 -0.0687 695 ASP B OD1 9428 O OD2 . ASP B 613 ? 1.0399 0.8187 1.0735 0.1143 -0.0510 -0.0737 695 ASP B OD2 9429 N N . LEU B 614 ? 0.6500 0.3563 0.6799 0.1251 -0.0147 -0.0686 696 LEU B N 9430 C CA . LEU B 614 ? 0.6156 0.3012 0.6430 0.1218 -0.0065 -0.0683 696 LEU B CA 9431 C C . LEU B 614 ? 0.8073 0.4949 0.8315 0.1127 -0.0112 -0.0696 696 LEU B C 9432 O O . LEU B 614 ? 1.0205 0.6914 1.0421 0.1084 -0.0050 -0.0703 696 LEU B O 9433 C CB . LEU B 614 ? 0.6505 0.3284 0.6830 0.1303 0.0002 -0.0584 696 LEU B CB 9434 C CG . LEU B 614 ? 0.7649 0.4304 0.8025 0.1382 0.0100 -0.0574 696 LEU B CG 9435 C CD1 . LEU B 614 ? 0.5358 0.2128 0.5752 0.1430 0.0070 -0.0603 696 LEU B CD1 9436 C CD2 . LEU B 614 ? 0.7528 0.4162 0.7999 0.1462 0.0139 -0.0465 696 LEU B CD2 9437 N N . ARG B 615 ? 0.7319 0.4394 0.7570 0.1098 -0.0217 -0.0698 697 ARG B N 9438 C CA . ARG B 615 ? 0.7097 0.4213 0.7334 0.1017 -0.0266 -0.0705 697 ARG B CA 9439 C C . ARG B 615 ? 0.8228 0.5330 0.8442 0.0925 -0.0286 -0.0807 697 ARG B C 9440 O O . ARG B 615 ? 0.7624 0.4708 0.7831 0.0850 -0.0302 -0.0824 697 ARG B O 9441 C CB . ARG B 615 ? 0.7034 0.4362 0.7293 0.1027 -0.0363 -0.0658 697 ARG B CB 9442 C CG . ARG B 615 ? 0.7209 0.4560 0.7482 0.1104 -0.0356 -0.0559 697 ARG B CG 9443 C CD . ARG B 615 ? 0.6960 0.4519 0.7241 0.1111 -0.0454 -0.0530 697 ARG B CD 9444 N NE . ARG B 615 ? 0.7678 0.5364 0.7980 0.1127 -0.0501 -0.0573 697 ARG B NE 9445 C CZ . ARG B 615 ? 0.7435 0.5295 0.7752 0.1140 -0.0577 -0.0556 697 ARG B CZ 9446 N NH1 . ARG B 615 ? 0.6638 0.4566 0.6941 0.1138 -0.0618 -0.0502 697 ARG B NH1 9447 N NH2 . ARG B 615 ? 0.7629 0.5589 0.7970 0.1154 -0.0608 -0.0596 697 ARG B NH2 9448 N N . ILE B 616 ? 0.9532 0.6650 0.9738 0.0932 -0.0284 -0.0873 698 ILE B N 9449 C CA . ILE B 616 ? 0.9661 0.6775 0.9840 0.0850 -0.0304 -0.0974 698 ILE B CA 9450 C C . ILE B 616 ? 0.9215 0.6115 0.9344 0.0842 -0.0209 -0.1036 698 ILE B C 9451 O O . ILE B 616 ? 0.9100 0.5904 0.9226 0.0919 -0.0139 -0.1008 698 ILE B O 9452 C CB . ILE B 616 ? 0.9837 0.7147 1.0033 0.0857 -0.0381 -0.1011 698 ILE B CB 9453 C CG1 . ILE B 616 ? 1.0205 0.7512 1.0405 0.0942 -0.0346 -0.1008 698 ILE B CG1 9454 C CG2 . ILE B 616 ? 0.8717 0.6223 0.8953 0.0859 -0.0470 -0.0954 698 ILE B CG2 9455 C CD1 . ILE B 616 ? 1.0217 0.7692 1.0429 0.0950 -0.0406 -0.1050 698 ILE B CD1 9456 N N . PRO B 617 ? 0.9378 0.6199 0.9467 0.0749 -0.0204 -0.1121 699 PRO B N 9457 C CA . PRO B 617 ? 1.0739 0.7345 1.0761 0.0732 -0.0116 -0.1191 699 PRO B CA 9458 C C . PRO B 617 ? 1.0946 0.7585 1.0950 0.0783 -0.0104 -0.1237 699 PRO B C 9459 O O . PRO B 617 ? 1.0101 0.6930 1.0128 0.0783 -0.0180 -0.1260 699 PRO B O 9460 C CB . PRO B 617 ? 1.0523 0.7099 1.0511 0.0609 -0.0146 -0.1278 699 PRO B CB 9461 C CG . PRO B 617 ? 0.9372 0.6194 0.9421 0.0577 -0.0256 -0.1266 699 PRO B CG 9462 C CD . PRO B 617 ? 0.8884 0.5800 0.8988 0.0654 -0.0276 -0.1154 699 PRO B CD 9463 N N . LEU B 618 ? 1.1125 0.7572 1.1085 0.0831 -0.0003 -0.1249 700 LEU B N 9464 C CA . LEU B 618 ? 0.9706 0.6166 0.9652 0.0891 0.0024 -0.1286 700 LEU B CA 9465 C C . LEU B 618 ? 0.8768 0.5207 0.8639 0.0813 0.0010 -0.1408 700 LEU B C 9466 O O . LEU B 618 ? 0.7919 0.4203 0.7718 0.0729 0.0036 -0.1473 700 LEU B O 9467 C CB . LEU B 618 ? 0.9047 0.5305 0.8979 0.0972 0.0145 -0.1255 700 LEU B CB 9468 C CG . LEU B 618 ? 0.9548 0.5820 0.9481 0.1046 0.0183 -0.1284 700 LEU B CG 9469 C CD1 . LEU B 618 ? 0.9493 0.5999 0.9524 0.1130 0.0119 -0.1206 700 LEU B CD1 9470 C CD2 . LEU B 618 ? 1.0170 0.6197 1.0076 0.1104 0.0320 -0.1280 700 LEU B CD2 9471 N N . SER B 619 ? 0.8724 0.5317 0.8607 0.0843 -0.0034 -0.1438 701 SER B N 9472 C CA . SER B 619 ? 0.9256 0.5845 0.9064 0.0785 -0.0045 -0.1550 701 SER B CA 9473 C C . SER B 619 ? 0.9793 0.6332 0.9572 0.0865 0.0021 -0.1578 701 SER B C 9474 O O . SER B 619 ? 0.9160 0.5780 0.9008 0.0963 0.0030 -0.1506 701 SER B O 9475 C CB . SER B 619 ? 0.9209 0.6047 0.9053 0.0742 -0.0160 -0.1565 701 SER B CB 9476 O OG . SER B 619 ? 0.8926 0.5773 0.8696 0.0690 -0.0172 -0.1671 701 SER B OG 9477 N N . PRO B 620 ? 1.1411 0.7814 1.1085 0.0824 0.0068 -0.1682 702 PRO B N 9478 C CA . PRO B 620 ? 1.2614 0.8956 1.2251 0.0898 0.0139 -0.1717 702 PRO B CA 9479 C C . PRO B 620 ? 1.2020 0.8603 1.1719 0.0960 0.0078 -0.1694 702 PRO B C 9480 O O . PRO B 620 ? 1.1053 0.7624 1.0765 0.1047 0.0134 -0.1685 702 PRO B O 9481 C CB . PRO B 620 ? 1.3629 0.9824 1.3126 0.0813 0.0166 -0.1846 702 PRO B CB 9482 C CG . PRO B 620 ? 1.3458 0.9531 1.2916 0.0714 0.0155 -0.1860 702 PRO B CG 9483 C CD . PRO B 620 ? 1.2475 0.8750 1.2054 0.0706 0.0065 -0.1772 702 PRO B CD 9484 N N . VAL B 621 ? 1.2059 0.8853 1.1799 0.0917 -0.0032 -0.1682 703 VAL B N 9485 C CA . VAL B 621 ? 1.1555 0.8569 1.1346 0.0972 -0.0090 -0.1657 703 VAL B CA 9486 C C . VAL B 621 ? 1.0433 0.7563 1.0337 0.1049 -0.0116 -0.1539 703 VAL B C 9487 O O . VAL B 621 ? 0.9751 0.7064 0.9710 0.1096 -0.0165 -0.1504 703 VAL B O 9488 C CB . VAL B 621 ? 1.1390 0.8578 1.1168 0.0897 -0.0190 -0.1698 703 VAL B CB 9489 C CG1 . VAL B 621 ? 1.2108 0.9203 1.1769 0.0825 -0.0171 -0.1818 703 VAL B CG1 9490 C CG2 . VAL B 621 ? 1.0548 0.7798 1.0381 0.0837 -0.0257 -0.1648 703 VAL B CG2 9491 N N . HIS B 622 ? 1.0353 0.7374 1.0288 0.1061 -0.0080 -0.1477 704 HIS B N 9492 C CA . HIS B 622 ? 1.0614 0.7729 1.0645 0.1134 -0.0100 -0.1365 704 HIS B CA 9493 C C . HIS B 622 ? 1.0770 0.7809 1.0832 0.1239 -0.0013 -0.1329 704 HIS B C 9494 O O . HIS B 622 ? 1.0574 0.7733 1.0719 0.1313 -0.0034 -0.1247 704 HIS B O 9495 C CB . HIS B 622 ? 1.0794 0.7843 1.0845 0.1099 -0.0106 -0.1309 704 HIS B CB 9496 C CG . HIS B 622 ? 1.0254 0.7409 1.0304 0.1008 -0.0196 -0.1321 704 HIS B CG 9497 N ND1 . HIS B 622 ? 1.0178 0.7280 1.0239 0.0964 -0.0205 -0.1280 704 HIS B ND1 9498 C CD2 . HIS B 622 ? 0.9768 0.7082 0.9814 0.0959 -0.0276 -0.1364 704 HIS B CD2 9499 C CE1 . HIS B 622 ? 1.0568 0.7793 1.0635 0.0891 -0.0287 -0.1299 704 HIS B CE1 9500 N NE2 . HIS B 622 ? 1.0328 0.7684 1.0387 0.0887 -0.0331 -0.1349 704 HIS B NE2 9501 N N . LYS B 623 ? 1.0860 0.7702 1.0858 0.1245 0.0085 -0.1392 705 LYS B N 9502 C CA . LYS B 623 ? 1.0116 0.6875 1.0155 0.1348 0.0181 -0.1361 705 LYS B CA 9503 C C . LYS B 623 ? 0.9882 0.6780 0.9944 0.1406 0.0170 -0.1376 705 LYS B C 9504 O O . LYS B 623 ? 1.0555 0.7504 1.0553 0.1360 0.0139 -0.1455 705 LYS B O 9505 C CB . LYS B 623 ? 0.9639 0.6126 0.9603 0.1332 0.0300 -0.1426 705 LYS B CB 9506 N N . CYS B 624 ? 0.9215 0.6182 0.9375 0.1508 0.0196 -0.1299 706 CYS B N 9507 C CA . CYS B 624 ? 0.9189 0.6294 0.9389 0.1571 0.0193 -0.1302 706 CYS B CA 9508 C C . CYS B 624 ? 1.0109 0.7071 1.0248 0.1592 0.0294 -0.1388 706 CYS B C 9509 O O . CYS B 624 ? 1.0051 0.7106 1.0183 0.1618 0.0292 -0.1422 706 CYS B O 9510 C CB . CYS B 624 ? 0.9358 0.6576 0.9690 0.1672 0.0195 -0.1192 706 CYS B CB 9511 S SG . CYS B 624 ? 1.4935 1.2326 1.5332 0.1652 0.0079 -0.1093 706 CYS B SG 9512 N N . SER B 625 ? 1.0967 0.7698 1.1064 0.1579 0.0386 -0.1424 707 SER B N 9513 C CA . SER B 625 ? 1.0704 0.7271 1.0742 0.1588 0.0492 -0.1516 707 SER B CA 9514 C C . SER B 625 ? 1.1099 0.7664 1.0992 0.1500 0.0453 -0.1629 707 SER B C 9515 O O . SER B 625 ? 1.0649 0.7142 1.0481 0.1511 0.0517 -0.1711 707 SER B O 9516 C CB . SER B 625 ? 1.0344 0.6673 1.0382 0.1575 0.0591 -0.1532 707 SER B CB 9517 O OG . SER B 625 ? 1.0028 0.6261 0.9972 0.1474 0.0555 -0.1556 707 SER B OG 9518 N N . TYR B 626 ? 1.1395 0.8049 1.1247 0.1414 0.0348 -0.1633 708 TYR B N 9519 C CA . TYR B 626 ? 1.1048 0.7735 1.0786 0.1327 0.0295 -0.1732 708 TYR B CA 9520 C C . TYR B 626 ? 1.1237 0.8118 1.0994 0.1373 0.0257 -0.1738 708 TYR B C 9521 O O . TYR B 626 ? 1.2587 0.9466 1.2246 0.1337 0.0257 -0.1829 708 TYR B O 9522 C CB . TYR B 626 ? 1.0652 0.7411 1.0381 0.1229 0.0192 -0.1723 708 TYR B CB 9523 C CG . TYR B 626 ? 1.0819 0.7639 1.0452 0.1138 0.0127 -0.1817 708 TYR B CG 9524 C CD1 . TYR B 626 ? 1.0601 0.7652 1.0264 0.1139 0.0039 -0.1808 708 TYR B CD1 9525 C CD2 . TYR B 626 ? 1.1953 0.8600 1.1467 0.1048 0.0155 -0.1913 708 TYR B CD2 9526 C CE1 . TYR B 626 ? 1.1361 0.8475 1.0942 0.1061 -0.0018 -0.1889 708 TYR B CE1 9527 C CE2 . TYR B 626 ? 1.2307 0.9022 1.1738 0.0963 0.0092 -0.1997 708 TYR B CE2 9528 C CZ . TYR B 626 ? 1.2375 0.9328 1.1843 0.0973 0.0006 -0.1983 708 TYR B CZ 9529 O OH . TYR B 626 ? 1.3414 1.0442 1.2801 0.0894 -0.0055 -0.2062 708 TYR B OH 9530 N N . TYR B 627 ? 1.0565 0.7614 1.0444 0.1450 0.0226 -0.1642 709 TYR B N 9531 C CA . TYR B 627 ? 1.0605 0.7846 1.0514 0.1493 0.0192 -0.1637 709 TYR B CA 9532 C C . TYR B 627 ? 1.0508 0.7730 1.0470 0.1602 0.0288 -0.1620 709 TYR B C 9533 O O . TYR B 627 ? 1.0336 0.7555 1.0407 0.1673 0.0324 -0.1537 709 TYR B O 9534 C CB . TYR B 627 ? 1.0685 0.8148 1.0696 0.1494 0.0086 -0.1549 709 TYR B CB 9535 C CG . TYR B 627 ? 1.0845 0.8353 1.0824 0.1393 -0.0008 -0.1561 709 TYR B CG 9536 C CD1 . TYR B 627 ? 1.0822 0.8449 1.0752 0.1337 -0.0077 -0.1613 709 TYR B CD1 9537 C CD2 . TYR B 627 ? 1.0784 0.8219 1.0787 0.1358 -0.0025 -0.1517 709 TYR B CD2 9538 C CE1 . TYR B 627 ? 1.0463 0.8142 1.0380 0.1249 -0.0160 -0.1621 709 TYR B CE1 9539 C CE2 . TYR B 627 ? 0.9975 0.7456 0.9959 0.1267 -0.0106 -0.1525 709 TYR B CE2 9540 C CZ . TYR B 627 ? 0.9524 0.7130 0.9470 0.1213 -0.0174 -0.1577 709 TYR B CZ 9541 O OH . TYR B 627 ? 0.8335 0.5995 0.8275 0.1127 -0.0251 -0.1581 709 TYR B OH 9542 N N . LYS B 628 ? 1.0378 0.7592 1.0268 0.1614 0.0330 -0.1696 710 LYS B N 9543 C CA . LYS B 628 ? 1.0067 0.7276 1.0015 0.1716 0.0425 -0.1686 710 LYS B CA 9544 C C . LYS B 628 ? 1.0269 0.7709 1.0286 0.1766 0.0382 -0.1642 710 LYS B C 9545 O O . LYS B 628 ? 1.0645 0.8129 1.0589 0.1763 0.0392 -0.1705 710 LYS B O 9546 C CB . LYS B 628 ? 0.8621 0.5653 0.8446 0.1705 0.0519 -0.1803 710 LYS B CB 9547 N N . LEU B 633 ? 0.9359 0.7500 0.9058 0.1428 -0.0088 -0.1832 715 LEU B N 9548 C CA . LEU B 633 ? 0.9230 0.7373 0.8969 0.1354 -0.0166 -0.1802 715 LEU B CA 9549 C C . LEU B 633 ? 0.8775 0.6848 0.8618 0.1385 -0.0142 -0.1724 715 LEU B C 9550 O O . LEU B 633 ? 0.8203 0.6117 0.8025 0.1417 -0.0060 -0.1739 715 LEU B O 9551 C CB . LEU B 633 ? 0.8687 0.6707 0.8301 0.1261 -0.0181 -0.1892 715 LEU B CB 9552 C CG . LEU B 633 ? 0.7412 0.5418 0.7042 0.1168 -0.0254 -0.1882 715 LEU B CG 9553 C CD1 . LEU B 633 ? 0.7073 0.4957 0.6772 0.1168 -0.0230 -0.1826 715 LEU B CD1 9554 C CD2 . LEU B 633 ? 0.6221 0.4432 0.5914 0.1143 -0.0351 -0.1836 715 LEU B CD2 9555 N N . SER B 634 ? 0.8475 0.6668 0.8426 0.1376 -0.0210 -0.1642 716 SER B N 9556 C CA . SER B 634 ? 0.7965 0.6113 0.8009 0.1402 -0.0200 -0.1563 716 SER B CA 9557 C C . SER B 634 ? 0.8413 0.6619 0.8502 0.1338 -0.0288 -0.1517 716 SER B C 9558 O O . SER B 634 ? 0.8696 0.6934 0.8736 0.1265 -0.0346 -0.1555 716 SER B O 9559 C CB . SER B 634 ? 0.7373 0.5629 0.7530 0.1492 -0.0173 -0.1489 716 SER B CB 9560 O OG . SER B 634 ? 0.8897 0.7099 0.9023 0.1559 -0.0082 -0.1525 716 SER B OG 9561 N N . TYR B 635 ? 0.8877 0.7100 0.9060 0.1368 -0.0296 -0.1432 717 TYR B N 9562 C CA . TYR B 635 ? 0.8644 0.6929 0.8873 0.1318 -0.0374 -0.1378 717 TYR B CA 9563 C C . TYR B 635 ? 0.8437 0.6905 0.8772 0.1351 -0.0422 -0.1302 717 TYR B C 9564 O O . TYR B 635 ? 0.8295 0.6806 0.8694 0.1423 -0.0383 -0.1265 717 TYR B O 9565 C CB . TYR B 635 ? 0.9252 0.7386 0.9484 0.1313 -0.0345 -0.1345 717 TYR B CB 9566 C CG . TYR B 635 ? 0.9220 0.7328 0.9522 0.1401 -0.0290 -0.1280 717 TYR B CG 9567 C CD1 . TYR B 635 ? 0.8316 0.6302 0.8594 0.1461 -0.0194 -0.1308 717 TYR B CD1 9568 C CD2 . TYR B 635 ? 0.9551 0.7758 0.9943 0.1426 -0.0332 -0.1191 717 TYR B CD2 9569 C CE1 . TYR B 635 ? 0.8380 0.6352 0.8735 0.1547 -0.0142 -0.1242 717 TYR B CE1 9570 C CE2 . TYR B 635 ? 0.9013 0.7210 0.9474 0.1508 -0.0286 -0.1128 717 TYR B CE2 9571 C CZ . TYR B 635 ? 0.8136 0.6220 0.8585 0.1571 -0.0190 -0.1151 717 TYR B CZ 9572 O OH . TYR B 635 ? 0.7159 0.5243 0.7690 0.1658 -0.0142 -0.1084 717 TYR B OH 9573 N N . GLY B 636 ? 0.7728 0.6304 0.8085 0.1297 -0.0503 -0.1280 718 GLY B N 9574 C CA . GLY B 636 ? 0.6180 0.4917 0.6630 0.1313 -0.0550 -0.1211 718 GLY B CA 9575 C C . GLY B 636 ? 0.6090 0.4832 0.6568 0.1275 -0.0605 -0.1155 718 GLY B C 9576 O O . GLY B 636 ? 0.7052 0.5697 0.7479 0.1226 -0.0615 -0.1171 718 GLY B O 9577 N N . PHE B 637 ? 0.5867 0.4722 0.6425 0.1294 -0.0637 -0.1089 719 PHE B N 9578 C CA . PHE B 637 ? 0.5497 0.4364 0.6072 0.1260 -0.0689 -0.1036 719 PHE B CA 9579 C C . PHE B 637 ? 0.5431 0.4421 0.6014 0.1202 -0.0759 -0.1033 719 PHE B C 9580 O O . PHE B 637 ? 0.6340 0.5447 0.6959 0.1209 -0.0770 -0.1039 719 PHE B O 9581 C CB . PHE B 637 ? 0.5972 0.4876 0.6618 0.1314 -0.0683 -0.0967 719 PHE B CB 9582 C CG . PHE B 637 ? 0.5425 0.4214 0.6074 0.1382 -0.0609 -0.0958 719 PHE B CG 9583 C CD1 . PHE B 637 ? 0.5604 0.4246 0.6212 0.1382 -0.0584 -0.0944 719 PHE B CD1 9584 C CD2 . PHE B 637 ? 0.4674 0.3497 0.5370 0.1448 -0.0558 -0.0960 719 PHE B CD2 9585 C CE1 . PHE B 637 ? 0.6027 0.4553 0.6639 0.1447 -0.0508 -0.0933 719 PHE B CE1 9586 C CE2 . PHE B 637 ? 0.4830 0.3544 0.5533 0.1516 -0.0484 -0.0948 719 PHE B CE2 9587 C CZ . PHE B 637 ? 0.4820 0.3382 0.5479 0.1516 -0.0458 -0.0935 719 PHE B CZ 9588 N N . LEU B 638 ? 0.5102 0.4060 0.5654 0.1148 -0.0800 -0.1020 720 LEU B N 9589 C CA . LEU B 638 ? 0.5785 0.4849 0.6347 0.1097 -0.0862 -0.1007 720 LEU B CA 9590 C C . LEU B 638 ? 0.6570 0.5722 0.7187 0.1105 -0.0892 -0.0948 720 LEU B C 9591 O O . LEU B 638 ? 0.8146 0.7411 0.8793 0.1085 -0.0922 -0.0942 720 LEU B O 9592 C CB . LEU B 638 ? 0.5352 0.4351 0.5867 0.1040 -0.0889 -0.1010 720 LEU B CB 9593 C CG . LEU B 638 ? 0.4747 0.3688 0.5210 0.1010 -0.0875 -0.1075 720 LEU B CG 9594 C CD1 . LEU B 638 ? 0.5201 0.4104 0.5638 0.0951 -0.0906 -0.1068 720 LEU B CD1 9595 C CD2 . LEU B 638 ? 0.4470 0.3517 0.4933 0.1013 -0.0886 -0.1116 720 LEU B CD2 9596 N N . THR B 639 ? 0.5520 0.4617 0.6149 0.1136 -0.0879 -0.0906 721 THR B N 9597 C CA . THR B 639 ? 0.5529 0.4703 0.6206 0.1149 -0.0905 -0.0855 721 THR B CA 9598 C C . THR B 639 ? 0.5878 0.5078 0.6617 0.1220 -0.0865 -0.0840 721 THR B C 9599 O O . THR B 639 ? 0.5469 0.4573 0.6199 0.1267 -0.0818 -0.0838 721 THR B O 9600 C CB . THR B 639 ? 0.5311 0.4416 0.5956 0.1139 -0.0923 -0.0810 721 THR B CB 9601 O OG1 . THR B 639 ? 0.5233 0.4313 0.5826 0.1076 -0.0953 -0.0820 721 THR B OG1 9602 C CG2 . THR B 639 ? 0.5666 0.4853 0.6351 0.1152 -0.0954 -0.0765 721 THR B CG2 9603 N N . PRO B 640 ? 0.6380 0.5706 0.7187 0.1228 -0.0878 -0.0829 722 PRO B N 9604 C CA . PRO B 640 ? 0.5607 0.4978 0.6491 0.1298 -0.0840 -0.0810 722 PRO B CA 9605 C C . PRO B 640 ? 0.6143 0.5472 0.7045 0.1346 -0.0834 -0.0758 722 PRO B C 9606 O O . PRO B 640 ? 0.5757 0.5102 0.6650 0.1324 -0.0879 -0.0726 722 PRO B O 9607 C CB . PRO B 640 ? 0.4891 0.4411 0.5849 0.1280 -0.0866 -0.0800 722 PRO B CB 9608 C CG . PRO B 640 ? 0.3994 0.3527 0.4907 0.1207 -0.0923 -0.0799 722 PRO B CG 9609 C CD . PRO B 640 ? 0.5852 0.5282 0.6675 0.1174 -0.0923 -0.0830 722 PRO B CD 9610 N N . PRO B 641 ? 0.7102 0.6371 0.8024 0.1416 -0.0775 -0.0750 723 PRO B N 9611 C CA . PRO B 641 ? 0.6736 0.5957 0.7678 0.1476 -0.0758 -0.0697 723 PRO B CA 9612 C C . PRO B 641 ? 0.6913 0.6275 0.7956 0.1514 -0.0782 -0.0648 723 PRO B C 9613 O O . PRO B 641 ? 0.7967 0.7322 0.9031 0.1559 -0.0788 -0.0596 723 PRO B O 9614 C CB . PRO B 641 ? 0.7080 0.6195 0.8016 0.1537 -0.0677 -0.0712 723 PRO B CB 9615 C CG . PRO B 641 ? 0.8070 0.7248 0.9029 0.1531 -0.0655 -0.0760 723 PRO B CG 9616 C CD . PRO B 641 ? 0.7870 0.7106 0.8792 0.1446 -0.0715 -0.0793 723 PRO B CD 9617 N N . ARG B 642 ? 0.6466 0.5956 0.7574 0.1498 -0.0794 -0.0664 724 ARG B N 9618 C CA . ARG B 642 ? 0.7080 0.6716 0.8299 0.1529 -0.0814 -0.0624 724 ARG B CA 9619 C C . ARG B 642 ? 0.8338 0.8038 0.9552 0.1476 -0.0889 -0.0608 724 ARG B C 9620 O O . ARG B 642 ? 0.9300 0.9131 1.0602 0.1479 -0.0918 -0.0587 724 ARG B O 9621 C CB . ARG B 642 ? 0.6635 0.6378 0.7936 0.1535 -0.0786 -0.0644 724 ARG B CB 9622 C CG . ARG B 642 ? 0.6931 0.6613 0.8239 0.1597 -0.0704 -0.0660 724 ARG B CG 9623 C CD . ARG B 642 ? 0.7150 0.6914 0.8579 0.1684 -0.0665 -0.0610 724 ARG B CD 9624 N NE . ARG B 642 ? 0.8108 0.8023 0.9643 0.1685 -0.0654 -0.0610 724 ARG B NE 9625 C CZ . ARG B 642 ? 0.9203 0.9224 1.0866 0.1754 -0.0619 -0.0567 724 ARG B CZ 9626 N NH1 . ARG B 642 ? 0.9828 0.9822 1.1528 0.1831 -0.0593 -0.0519 724 ARG B NH1 9627 N NH2 . ARG B 642 ? 0.8797 0.8955 1.0559 0.1749 -0.0606 -0.0566 724 ARG B NH2 9628 N N . LEU B 643 ? 0.8313 0.7918 0.9424 0.1427 -0.0918 -0.0618 725 LEU B N 9629 C CA . LEU B 643 ? 0.9076 0.8716 1.0160 0.1378 -0.0982 -0.0606 725 LEU B CA 9630 C C . LEU B 643 ? 1.1804 1.1463 1.2911 0.1430 -0.1004 -0.0550 725 LEU B C 9631 O O . LEU B 643 ? 1.2459 1.2039 1.3550 0.1490 -0.0970 -0.0519 725 LEU B O 9632 C CB . LEU B 643 ? 0.8968 0.8499 0.9936 0.1315 -0.0998 -0.0630 725 LEU B CB 9633 C CG . LEU B 643 ? 0.8446 0.8020 0.9384 0.1244 -0.1053 -0.0640 725 LEU B CG 9634 C CD1 . LEU B 643 ? 0.7786 0.7464 0.8788 0.1211 -0.1055 -0.0670 725 LEU B CD1 9635 C CD2 . LEU B 643 ? 0.7142 0.6615 0.7975 0.1190 -0.1061 -0.0656 725 LEU B CD2 9636 N N . ASN B 644 ? 1.2902 1.2661 1.4046 0.1410 -0.1058 -0.0538 726 ASN B N 9637 C CA . ASN B 644 ? 1.2373 1.2177 1.3545 0.1459 -0.1090 -0.0486 726 ASN B CA 9638 C C . ASN B 644 ? 1.1898 1.1737 1.3155 0.1555 -0.1052 -0.0440 726 ASN B C 9639 O O . ASN B 644 ? 1.1559 1.1301 1.2775 0.1607 -0.1021 -0.0406 726 ASN B O 9640 C CB . ASN B 644 ? 1.1970 1.1664 1.3026 0.1446 -0.1112 -0.0468 726 ASN B CB 9641 N N . HIS B 649 ? 0.6691 0.6726 0.8352 0.1981 -0.0897 -0.0186 731 HIS B N 9642 C CA . HIS B 649 ? 0.8665 0.8499 1.0182 0.1958 -0.0873 -0.0205 731 HIS B CA 9643 C C . HIS B 649 ? 0.9200 0.8939 1.0641 0.1885 -0.0843 -0.0284 731 HIS B C 9644 O O . HIS B 649 ? 0.9444 0.9276 1.0932 0.1843 -0.0854 -0.0324 731 HIS B O 9645 C CB . HIS B 649 ? 0.9011 0.8834 1.0445 0.1919 -0.0944 -0.0192 731 HIS B CB 9646 N N . ILE B 650 ? 0.8354 0.7912 0.9684 0.1870 -0.0806 -0.0303 732 ILE B N 9647 C CA . ILE B 650 ? 0.6770 0.6237 0.8023 0.1800 -0.0784 -0.0376 732 ILE B CA 9648 C C . ILE B 650 ? 0.7528 0.6828 0.8653 0.1759 -0.0780 -0.0388 732 ILE B C 9649 O O . ILE B 650 ? 0.6500 0.5689 0.7600 0.1811 -0.0739 -0.0348 732 ILE B O 9650 C CB . ILE B 650 ? 0.6039 0.5460 0.7329 0.1843 -0.0702 -0.0400 732 ILE B CB 9651 C CG1 . ILE B 650 ? 0.5944 0.5256 0.7140 0.1774 -0.0680 -0.0475 732 ILE B CG1 9652 C CG2 . ILE B 650 ? 0.6792 0.6113 0.8104 0.1937 -0.0631 -0.0350 732 ILE B CG2 9653 C CD1 . ILE B 650 ? 0.5722 0.4981 0.6937 0.1813 -0.0600 -0.0508 732 ILE B CD1 9654 N N . TYR B 651 ? 0.9137 0.8425 1.0191 0.1668 -0.0819 -0.0439 733 TYR B N 9655 C CA . TYR B 651 ? 1.0421 0.9571 1.1365 0.1621 -0.0819 -0.0452 733 TYR B CA 9656 C C . TYR B 651 ? 1.0587 0.9576 1.1491 0.1639 -0.0741 -0.0475 733 TYR B C 9657 O O . TYR B 651 ? 1.1112 1.0090 1.2019 0.1622 -0.0712 -0.0528 733 TYR B O 9658 C CB . TYR B 651 ? 1.0543 0.9730 1.1437 0.1523 -0.0874 -0.0501 733 TYR B CB 9659 C CG . TYR B 651 ? 1.0312 0.9386 1.1104 0.1473 -0.0884 -0.0503 733 TYR B CG 9660 C CD1 . TYR B 651 ? 1.0609 0.9642 1.1367 0.1497 -0.0897 -0.0448 733 TYR B CD1 9661 C CD2 . TYR B 651 ? 1.0034 0.9050 1.0771 0.1404 -0.0880 -0.0555 733 TYR B CD2 9662 C CE1 . TYR B 651 ? 1.0402 0.9334 1.1074 0.1453 -0.0898 -0.0445 733 TYR B CE1 9663 C CE2 . TYR B 651 ? 0.9431 0.8353 1.0088 0.1359 -0.0887 -0.0552 733 TYR B CE2 9664 C CZ . TYR B 651 ? 0.9135 0.8014 0.9761 0.1383 -0.0893 -0.0497 733 TYR B CZ 9665 O OH . TYR B 651 ? 0.7837 0.6623 0.8390 0.1341 -0.0892 -0.0489 733 TYR B OH 9666 N N . SER B 652 ? 0.9436 0.8294 1.0301 0.1675 -0.0702 -0.0436 734 SER B N 9667 C CA . SER B 652 ? 0.8160 0.6848 0.8995 0.1697 -0.0617 -0.0456 734 SER B CA 9668 C C . SER B 652 ? 0.7844 0.6413 0.8585 0.1616 -0.0613 -0.0506 734 SER B C 9669 O O . SER B 652 ? 0.8655 0.7107 0.9367 0.1607 -0.0555 -0.0553 734 SER B O 9670 C CB . SER B 652 ? 0.7985 0.6582 0.8843 0.1782 -0.0562 -0.0385 734 SER B CB 9671 O OG . SER B 652 ? 0.8549 0.7113 0.9361 0.1768 -0.0593 -0.0340 734 SER B OG 9672 N N . GLU B 653 ? 0.6149 0.5480 0.6146 0.1191 -0.0067 -0.1151 735 GLU B N 9673 C CA . GLU B 653 ? 0.6545 0.5828 0.6542 0.1126 -0.0041 -0.1142 735 GLU B CA 9674 C C . GLU B 653 ? 0.6597 0.5975 0.6657 0.1069 -0.0061 -0.1155 735 GLU B C 9675 O O . GLU B 653 ? 0.7167 0.6506 0.7229 0.1021 -0.0033 -0.1155 735 GLU B O 9676 C CB . GLU B 653 ? 0.6891 0.6198 0.6884 0.1088 -0.0078 -0.1114 735 GLU B CB 9677 C CG . GLU B 653 ? 0.7566 0.6745 0.7486 0.1135 -0.0041 -0.1101 735 GLU B CG 9678 C CD . GLU B 653 ? 0.7734 0.6931 0.7645 0.1097 -0.0072 -0.1073 735 GLU B CD 9679 O OE1 . GLU B 653 ? 0.7847 0.7180 0.7815 0.1046 -0.0137 -0.1065 735 GLU B OE1 9680 O OE2 . GLU B 653 ? 0.7712 0.6787 0.7565 0.1117 -0.0028 -0.1061 735 GLU B OE2 9681 N N . ALA B 654 ? 0.6007 0.5512 0.6120 0.1075 -0.0109 -0.1167 736 ALA B N 9682 C CA . ALA B 654 ? 0.5525 0.5121 0.5699 0.1030 -0.0126 -0.1182 736 ALA B CA 9683 C C . ALA B 654 ? 0.6034 0.5530 0.6172 0.1063 -0.0056 -0.1207 736 ALA B C 9684 O O . ALA B 654 ? 0.6359 0.5893 0.6529 0.1031 -0.0053 -0.1221 736 ALA B O 9685 C CB . ALA B 654 ? 0.5532 0.5289 0.5773 0.1024 -0.0195 -0.1188 736 ALA B CB 9686 N N . LEU B 655 ? 0.5969 0.5337 0.6043 0.1131 0.0001 -0.1213 737 LEU B N 9687 C CA . LEU B 655 ? 0.4957 0.4209 0.4992 0.1170 0.0078 -0.1239 737 LEU B CA 9688 C C . LEU B 655 ? 0.3988 0.3080 0.3968 0.1153 0.0146 -0.1242 737 LEU B C 9689 O O . LEU B 655 ? 0.4021 0.2979 0.3957 0.1190 0.0222 -0.1265 737 LEU B O 9690 C CB . LEU B 655 ? 0.6385 0.5594 0.6396 0.1257 0.0106 -0.1248 737 LEU B CB 9691 C CG . LEU B 655 ? 0.6600 0.5959 0.6661 0.1279 0.0045 -0.1250 737 LEU B CG 9692 C CD1 . LEU B 655 ? 0.7007 0.6321 0.7046 0.1372 0.0079 -0.1258 737 LEU B CD1 9693 C CD2 . LEU B 655 ? 0.6164 0.5617 0.6273 0.1243 0.0029 -0.1267 737 LEU B CD2 9694 N N . LEU B 656 ? 0.4994 0.4099 0.4980 0.1096 0.0123 -0.1220 738 LEU B N 9695 C CA . LEU B 656 ? 0.6560 0.5524 0.6498 0.1069 0.0186 -0.1222 738 LEU B CA 9696 C C . LEU B 656 ? 0.6901 0.5845 0.6839 0.1033 0.0212 -0.1247 738 LEU B C 9697 O O . LEU B 656 ? 0.6673 0.5748 0.6666 0.1006 0.0162 -0.1252 738 LEU B O 9698 C CB . LEU B 656 ? 0.7873 0.6874 0.7824 0.1019 0.0150 -0.1191 738 LEU B CB 9699 C CG . LEU B 656 ? 0.8954 0.7832 0.8852 0.1045 0.0190 -0.1176 738 LEU B CG 9700 C CD1 . LEU B 656 ? 0.9426 0.8309 0.9315 0.1119 0.0178 -0.1175 738 LEU B CD1 9701 C CD2 . LEU B 656 ? 0.8680 0.7614 0.8594 0.0994 0.0150 -0.1145 738 LEU B CD2 9702 N N . THR B 657 ? 0.7213 0.5989 0.7089 0.1033 0.0292 -0.1265 739 THR B N 9703 C CA . THR B 657 ? 0.7813 0.6548 0.7669 0.1003 0.0320 -0.1293 739 THR B CA 9704 C C . THR B 657 ? 0.7674 0.6534 0.7583 0.0931 0.0258 -0.1278 739 THR B C 9705 O O . THR B 657 ? 0.6843 0.5749 0.6773 0.0905 0.0246 -0.1298 739 THR B O 9706 C CB . THR B 657 ? 0.7856 0.6374 0.7627 0.1010 0.0419 -0.1317 739 THR B CB 9707 O OG1 . THR B 657 ? 0.7926 0.6376 0.7678 0.0993 0.0439 -0.1293 739 THR B OG1 9708 C CG2 . THR B 657 ? 0.7677 0.6085 0.7424 0.1076 0.0488 -0.1347 739 THR B CG2 9709 N N . SER B 658 ? 0.8052 0.6965 0.7988 0.0901 0.0222 -0.1244 740 SER B N 9710 C CA . SER B 658 ? 0.7749 0.6775 0.7747 0.0834 0.0171 -0.1230 740 SER B CA 9711 C C . SER B 658 ? 0.7407 0.6646 0.7511 0.0813 0.0085 -0.1220 740 SER B C 9712 O O . SER B 658 ? 0.7308 0.6670 0.7488 0.0759 0.0037 -0.1205 740 SER B O 9713 C CB . SER B 658 ? 0.7808 0.6796 0.7789 0.0811 0.0175 -0.1199 740 SER B CB 9714 O OG . SER B 658 ? 0.8656 0.7661 0.8635 0.0845 0.0156 -0.1177 740 SER B OG 9715 N N . ASN B 659 ? 0.7074 0.6355 0.7186 0.0856 0.0071 -0.1229 741 ASN B N 9716 C CA . ASN B 659 ? 0.6825 0.6293 0.7029 0.0839 -0.0004 -0.1223 741 ASN B CA 9717 C C . ASN B 659 ? 0.7279 0.6780 0.7497 0.0853 0.0002 -0.1253 741 ASN B C 9718 O O . ASN B 659 ? 0.7122 0.6755 0.7401 0.0850 -0.0047 -0.1253 741 ASN B O 9719 C CB . ASN B 659 ? 0.7297 0.6810 0.7505 0.0873 -0.0039 -0.1205 741 ASN B CB 9720 C CG . ASN B 659 ? 0.7745 0.7449 0.8049 0.0842 -0.0120 -0.1196 741 ASN B CG 9721 O OD1 . ASN B 659 ? 0.9015 0.8822 0.9391 0.0785 -0.0153 -0.1190 741 ASN B OD1 9722 N ND2 . ASN B 659 ? 0.6747 0.6498 0.7055 0.0879 -0.0148 -0.1196 741 ASN B ND2 9723 N N . ILE B 660 ? 0.7417 0.6792 0.7572 0.0868 0.0064 -0.1281 742 ILE B N 9724 C CA . ILE B 660 ? 0.6941 0.6334 0.7098 0.0885 0.0076 -0.1312 742 ILE B CA 9725 C C . ILE B 660 ? 0.6663 0.6092 0.6850 0.0835 0.0071 -0.1329 742 ILE B C 9726 O O . ILE B 660 ? 0.6512 0.5881 0.6682 0.0804 0.0089 -0.1328 742 ILE B O 9727 C CB . ILE B 660 ? 0.7108 0.6333 0.7170 0.0952 0.0155 -0.1339 742 ILE B CB 9728 C CG1 . ILE B 660 ? 0.7533 0.6574 0.7511 0.0951 0.0224 -0.1350 742 ILE B CG1 9729 C CG2 . ILE B 660 ? 0.7610 0.6832 0.7663 0.1007 0.0154 -0.1326 742 ILE B CG2 9730 C CD1 . ILE B 660 ? 0.8359 0.7324 0.8296 0.0936 0.0262 -0.1387 742 ILE B CD1 9731 N N . VAL B 661 ? 0.5564 0.5093 0.5797 0.0831 0.0046 -0.1345 743 VAL B N 9732 C CA . VAL B 661 ? 0.5373 0.4947 0.5638 0.0792 0.0039 -0.1365 743 VAL B CA 9733 C C . VAL B 661 ? 0.6091 0.5639 0.6319 0.0829 0.0067 -0.1400 743 VAL B C 9734 O O . VAL B 661 ? 0.6204 0.5780 0.6430 0.0868 0.0064 -0.1400 743 VAL B O 9735 C CB . VAL B 661 ? 0.4762 0.4529 0.5148 0.0733 -0.0033 -0.1340 743 VAL B CB 9736 C CG1 . VAL B 661 ? 0.3958 0.3741 0.4377 0.0692 -0.0051 -0.1311 743 VAL B CG1 9737 C CG2 . VAL B 661 ? 0.4349 0.4234 0.4785 0.0745 -0.0078 -0.1325 743 VAL B CG2 9738 N N . PRO B 662 ? 0.5877 0.5367 0.6072 0.0819 0.0097 -0.1433 744 PRO B N 9739 C CA . PRO B 662 ? 0.5124 0.4585 0.5277 0.0853 0.0126 -0.1470 744 PRO B CA 9740 C C . PRO B 662 ? 0.4898 0.4530 0.5132 0.0843 0.0074 -0.1461 744 PRO B C 9741 O O . PRO B 662 ? 0.6266 0.6035 0.6591 0.0791 0.0019 -0.1442 744 PRO B O 9742 C CB . PRO B 662 ? 0.4872 0.4270 0.4993 0.0827 0.0149 -0.1505 744 PRO B CB 9743 C CG . PRO B 662 ? 0.4896 0.4361 0.5086 0.0767 0.0112 -0.1479 744 PRO B CG 9744 C CD . PRO B 662 ? 0.5424 0.4872 0.5616 0.0775 0.0106 -0.1441 744 PRO B CD 9745 N N . MSE B 663 ? 0.4413 0.4032 0.4616 0.0894 0.0095 -0.1473 745 MSE B N 9746 C CA . MSE B 663 ? 0.5318 0.5085 0.5588 0.0889 0.0052 -0.1464 745 MSE B CA 9747 C C . MSE B 663 ? 0.6580 0.6303 0.6793 0.0942 0.0096 -0.1496 745 MSE B C 9748 O O . MSE B 663 ? 0.6554 0.6147 0.6688 0.0998 0.0156 -0.1514 745 MSE B O 9749 C CB . MSE B 663 ? 0.5538 0.5386 0.5859 0.0890 0.0012 -0.1428 745 MSE B CB 9750 C CG . MSE B 663 ? 0.6895 0.6894 0.7288 0.0876 -0.0035 -0.1417 745 MSE B CG 9751 SE SE . MSE B 663 ? 1.0693 1.0800 1.1158 0.0858 -0.0097 -0.1377 745 MSE B SE 9752 C CE . MSE B 663 ? 0.2297 0.2448 0.2824 0.0782 -0.0140 -0.1349 745 MSE B CE 9753 N N . TYR B 664 ? 0.6534 0.6362 0.6787 0.0926 0.0071 -0.1503 746 TYR B N 9754 C CA . TYR B 664 ? 0.5347 0.5150 0.5551 0.0975 0.0112 -0.1530 746 TYR B CA 9755 C C . TYR B 664 ? 0.5076 0.4922 0.5298 0.1014 0.0110 -0.1513 746 TYR B C 9756 O O . TYR B 664 ? 0.5014 0.4959 0.5306 0.0986 0.0059 -0.1481 746 TYR B O 9757 C CB . TYR B 664 ? 0.6273 0.6176 0.6513 0.0945 0.0085 -0.1540 746 TYR B CB 9758 C CG . TYR B 664 ? 0.7469 0.7325 0.7682 0.0918 0.0094 -0.1567 746 TYR B CG 9759 C CD1 . TYR B 664 ? 0.8290 0.7983 0.8403 0.0951 0.0157 -0.1606 746 TYR B CD1 9760 C CD2 . TYR B 664 ? 0.7440 0.7411 0.7728 0.0862 0.0044 -0.1557 746 TYR B CD2 9761 C CE1 . TYR B 664 ? 0.8363 0.8012 0.8448 0.0925 0.0164 -0.1636 746 TYR B CE1 9762 C CE2 . TYR B 664 ? 0.7663 0.7598 0.7931 0.0839 0.0051 -0.1584 746 TYR B CE2 9763 C CZ . TYR B 664 ? 0.8201 0.7976 0.8367 0.0870 0.0110 -0.1625 746 TYR B CZ 9764 O OH . TYR B 664 ? 0.8858 0.8595 0.9000 0.0845 0.0117 -0.1658 746 TYR B OH 9765 N N . GLN B 665 ? 0.5458 0.5232 0.5618 0.1078 0.0169 -0.1537 747 GLN B N 9766 C CA . GLN B 665 ? 0.5489 0.5303 0.5667 0.1122 0.0177 -0.1525 747 GLN B CA 9767 C C . GLN B 665 ? 0.5617 0.5587 0.5867 0.1095 0.0129 -0.1509 747 GLN B C 9768 O O . GLN B 665 ? 0.5554 0.5598 0.5852 0.1101 0.0105 -0.1489 747 GLN B O 9769 C CB . GLN B 665 ? 0.4649 0.4350 0.4750 0.1200 0.0260 -0.1555 747 GLN B CB 9770 N N . SER B 666 ? 0.6251 0.6268 0.6509 0.1065 0.0118 -0.1521 748 SER B N 9771 C CA . SER B 666 ? 0.7045 0.7198 0.7366 0.1037 0.0079 -0.1507 748 SER B CA 9772 C C . SER B 666 ? 0.7179 0.7443 0.7590 0.0970 0.0004 -0.1474 748 SER B C 9773 O O . SER B 666 ? 0.6930 0.7295 0.7398 0.0952 -0.0028 -0.1457 748 SER B O 9774 C CB . SER B 666 ? 0.7442 0.7609 0.7742 0.1025 0.0089 -0.1528 748 SER B CB 9775 O OG . SER B 666 ? 0.7727 0.7897 0.8044 0.0973 0.0057 -0.1528 748 SER B OG 9776 N N . PHE B 667 ? 0.6554 0.6792 0.6976 0.0932 -0.0020 -0.1465 749 PHE B N 9777 C CA . PHE B 667 ? 0.5459 0.5793 0.5965 0.0870 -0.0085 -0.1434 749 PHE B CA 9778 C C . PHE B 667 ? 0.4753 0.5081 0.5270 0.0886 -0.0097 -0.1416 749 PHE B C 9779 O O . PHE B 667 ? 0.5152 0.5574 0.5738 0.0845 -0.0150 -0.1393 749 PHE B O 9780 C CB . PHE B 667 ? 0.5833 0.6145 0.6351 0.0828 -0.0099 -0.1431 749 PHE B CB 9781 C CG . PHE B 667 ? 0.6171 0.6585 0.6779 0.0765 -0.0160 -0.1398 749 PHE B CG 9782 C CD1 . PHE B 667 ? 0.5970 0.6503 0.6650 0.0717 -0.0201 -0.1387 749 PHE B CD1 9783 C CD2 . PHE B 667 ? 0.5764 0.6149 0.6379 0.0757 -0.0174 -0.1379 749 PHE B CD2 9784 C CE1 . PHE B 667 ? 0.4885 0.5507 0.5647 0.0661 -0.0252 -0.1357 749 PHE B CE1 9785 C CE2 . PHE B 667 ? 0.4772 0.5249 0.5467 0.0702 -0.0226 -0.1349 749 PHE B CE2 9786 C CZ . PHE B 667 ? 0.4348 0.4943 0.5118 0.0653 -0.0264 -0.1339 749 PHE B CZ 9787 N N . GLN B 668 ? 0.4227 0.4441 0.4674 0.0946 -0.0047 -0.1429 750 GLN B N 9788 C CA . GLN B 668 ? 0.5738 0.5937 0.6186 0.0972 -0.0053 -0.1414 750 GLN B CA 9789 C C . GLN B 668 ? 0.7068 0.7367 0.7561 0.0981 -0.0075 -0.1409 750 GLN B C 9790 O O . GLN B 668 ? 0.7369 0.7706 0.7892 0.0980 -0.0104 -0.1394 750 GLN B O 9791 C CB . GLN B 668 ? 0.5551 0.5601 0.5913 0.1043 0.0015 -0.1431 750 GLN B CB 9792 C CG . GLN B 668 ? 0.6827 0.6762 0.7141 0.1033 0.0038 -0.1434 750 GLN B CG 9793 C CD . GLN B 668 ? 0.7950 0.7727 0.8177 0.1103 0.0113 -0.1453 750 GLN B CD 9794 O OE1 . GLN B 668 ? 0.8430 0.8168 0.8621 0.1157 0.0162 -0.1474 750 GLN B OE1 9795 N NE2 . GLN B 668 ? 0.8307 0.7987 0.8500 0.1102 0.0127 -0.1445 750 GLN B NE2 9796 N N . VAL B 669 ? 0.6436 0.6773 0.6930 0.0990 -0.0056 -0.1423 751 VAL B N 9797 C CA . VAL B 669 ? 0.5655 0.6087 0.6193 0.0993 -0.0070 -0.1420 751 VAL B CA 9798 C C . VAL B 669 ? 0.6091 0.6640 0.6711 0.0918 -0.0142 -0.1400 751 VAL B C 9799 O O . VAL B 669 ? 0.7492 0.8109 0.8155 0.0911 -0.0169 -0.1394 751 VAL B O 9800 C CB . VAL B 669 ? 0.5719 0.6160 0.6236 0.1016 -0.0029 -0.1438 751 VAL B CB 9801 C CG1 . VAL B 669 ? 0.5772 0.6298 0.6329 0.1026 -0.0031 -0.1436 751 VAL B CG1 9802 C CG2 . VAL B 669 ? 0.6016 0.6334 0.6449 0.1088 0.0046 -0.1461 751 VAL B CG2 9803 N N . ILE B 670 ? 0.5384 0.5957 0.6029 0.0862 -0.0171 -0.1392 752 ILE B N 9804 C CA . ILE B 670 ? 0.4917 0.5596 0.5643 0.0790 -0.0233 -0.1372 752 ILE B CA 9805 C C . ILE B 670 ? 0.4573 0.5253 0.5325 0.0766 -0.0271 -0.1353 752 ILE B C 9806 O O . ILE B 670 ? 0.4570 0.5330 0.5380 0.0727 -0.0317 -0.1340 752 ILE B O 9807 C CB . ILE B 670 ? 0.4951 0.5660 0.5699 0.0745 -0.0244 -0.1369 752 ILE B CB 9808 C CG1 . ILE B 670 ? 0.4473 0.5161 0.5177 0.0777 -0.0201 -0.1390 752 ILE B CG1 9809 C CG2 . ILE B 670 ? 0.5073 0.5894 0.5908 0.0674 -0.0301 -0.1348 752 ILE B CG2 9810 C CD1 . ILE B 670 ? 0.3655 0.4350 0.4363 0.0747 -0.0204 -0.1393 752 ILE B CD1 9811 N N . TRP B 671 ? 0.5343 0.5927 0.6045 0.0791 -0.0247 -0.1353 753 TRP B N 9812 C CA . TRP B 671 ? 0.5104 0.5673 0.5819 0.0771 -0.0275 -0.1333 753 TRP B CA 9813 C C . TRP B 671 ? 0.5994 0.6564 0.6702 0.0802 -0.0286 -0.1331 753 TRP B C 9814 O O . TRP B 671 ? 0.6926 0.7537 0.7670 0.0773 -0.0329 -0.1314 753 TRP B O 9815 C CB . TRP B 671 ? 0.4508 0.4956 0.5160 0.0793 -0.0235 -0.1336 753 TRP B CB 9816 C CG . TRP B 671 ? 0.4744 0.5176 0.5410 0.0765 -0.0258 -0.1314 753 TRP B CG 9817 C CD1 . TRP B 671 ? 0.5237 0.5577 0.5851 0.0800 -0.0240 -0.1308 753 TRP B CD1 9818 C CD2 . TRP B 671 ? 0.5074 0.5578 0.5807 0.0700 -0.0297 -0.1293 753 TRP B CD2 9819 N NE1 . TRP B 671 ? 0.5187 0.5536 0.5826 0.0759 -0.0266 -0.1284 753 TRP B NE1 9820 C CE2 . TRP B 671 ? 0.4850 0.5301 0.5566 0.0698 -0.0300 -0.1275 753 TRP B CE2 9821 C CE3 . TRP B 671 ? 0.5334 0.5939 0.6139 0.0646 -0.0326 -0.1286 753 TRP B CE3 9822 C CZ2 . TRP B 671 ? 0.5179 0.5678 0.5949 0.0645 -0.0329 -0.1251 753 TRP B CZ2 9823 C CZ3 . TRP B 671 ? 0.4790 0.5444 0.5653 0.0595 -0.0355 -0.1262 753 TRP B CZ3 9824 C CH2 . TRP B 671 ? 0.5286 0.5889 0.6132 0.0595 -0.0356 -0.1245 753 TRP B CH2 9825 N N . HIS B 672 ? 0.6673 0.7198 0.7335 0.0866 -0.0245 -0.1349 754 HIS B N 9826 C CA . HIS B 672 ? 0.7872 0.8399 0.8527 0.0906 -0.0249 -0.1351 754 HIS B CA 9827 C C . HIS B 672 ? 0.7917 0.8566 0.8641 0.0871 -0.0295 -0.1352 754 HIS B C 9828 O O . HIS B 672 ? 0.8992 0.9676 0.9739 0.0864 -0.0332 -0.1347 754 HIS B O 9829 C CB . HIS B 672 ? 0.8876 0.9320 0.9468 0.0990 -0.0183 -0.1369 754 HIS B CB 9830 C CG . HIS B 672 ? 1.0003 1.0309 1.0521 0.1032 -0.0135 -0.1369 754 HIS B CG 9831 N ND1 . HIS B 672 ? 0.9840 1.0050 1.0296 0.1101 -0.0065 -0.1387 754 HIS B ND1 9832 C CD2 . HIS B 672 ? 1.0247 1.0488 1.0741 0.1015 -0.0142 -0.1355 754 HIS B CD2 9833 C CE1 . HIS B 672 ? 0.9573 0.9661 0.9971 0.1123 -0.0031 -0.1386 754 HIS B CE1 9834 N NE2 . HIS B 672 ? 0.9791 0.9894 1.0209 0.1071 -0.0076 -0.1367 754 HIS B NE2 9835 N N . TYR B 673 ? 0.6722 0.7430 0.7476 0.0850 -0.0290 -0.1361 755 TYR B N 9836 C CA . TYR B 673 ? 0.5517 0.6331 0.6335 0.0812 -0.0326 -0.1365 755 TYR B CA 9837 C C . TYR B 673 ? 0.4946 0.5828 0.5825 0.0736 -0.0389 -0.1348 755 TYR B C 9838 O O . TYR B 673 ? 0.4930 0.5883 0.5858 0.0707 -0.0427 -0.1351 755 TYR B O 9839 C CB . TYR B 673 ? 0.5644 0.6492 0.6472 0.0806 -0.0300 -0.1375 755 TYR B CB 9840 C CG . TYR B 673 ? 0.5964 0.6909 0.6853 0.0768 -0.0327 -0.1381 755 TYR B CG 9841 C CD1 . TYR B 673 ? 0.5441 0.6453 0.6387 0.0693 -0.0367 -0.1371 755 TYR B CD1 9842 C CD2 . TYR B 673 ? 0.6567 0.7530 0.7459 0.0808 -0.0307 -0.1397 755 TYR B CD2 9843 C CE1 . TYR B 673 ? 0.5641 0.6728 0.6639 0.0655 -0.0386 -0.1378 755 TYR B CE1 9844 C CE2 . TYR B 673 ? 0.6685 0.7728 0.7633 0.0771 -0.0327 -0.1405 755 TYR B CE2 9845 C CZ . TYR B 673 ? 0.6405 0.7505 0.7403 0.0693 -0.0366 -0.1397 755 TYR B CZ 9846 O OH . TYR B 673 ? 0.6044 0.7210 0.7094 0.0654 -0.0380 -0.1408 755 TYR B OH 9847 N N . LEU B 674 ? 0.4595 0.5455 0.5476 0.0706 -0.0397 -0.1331 756 LEU B N 9848 C CA . LEU B 674 ? 0.4516 0.5438 0.5458 0.0640 -0.0448 -0.1310 756 LEU B CA 9849 C C . LEU B 674 ? 0.5679 0.6592 0.6619 0.0646 -0.0477 -0.1302 756 LEU B C 9850 O O . LEU B 674 ? 0.6969 0.7953 0.7965 0.0599 -0.0524 -0.1293 756 LEU B O 9851 C CB . LEU B 674 ? 0.3525 0.4419 0.4466 0.0617 -0.0438 -0.1294 756 LEU B CB 9852 C CG . LEU B 674 ? 0.2877 0.3830 0.3883 0.0554 -0.0480 -0.1268 756 LEU B CG 9853 C CD1 . LEU B 674 ? 0.1853 0.2901 0.2925 0.0500 -0.0506 -0.1260 756 LEU B CD1 9854 C CD2 . LEU B 674 ? 0.2897 0.3811 0.3895 0.0545 -0.0461 -0.1256 756 LEU B CD2 9855 N N . HIS B 675 ? 0.4001 0.4825 0.4872 0.0708 -0.0448 -0.1306 757 HIS B N 9856 C CA . HIS B 675 ? 0.3246 0.4045 0.4099 0.0723 -0.0471 -0.1298 757 HIS B CA 9857 C C . HIS B 675 ? 0.5418 0.6233 0.6260 0.0766 -0.0477 -0.1318 757 HIS B C 9858 O O . HIS B 675 ? 0.6856 0.7701 0.7711 0.0758 -0.0516 -0.1316 757 HIS B O 9859 C CB . HIS B 675 ? 0.3306 0.3986 0.4088 0.0763 -0.0434 -0.1287 757 HIS B CB 9860 C CG . HIS B 675 ? 0.4252 0.4918 0.5048 0.0720 -0.0431 -0.1268 757 HIS B CG 9861 N ND1 . HIS B 675 ? 0.4072 0.4754 0.4887 0.0698 -0.0412 -0.1273 757 HIS B ND1 9862 C CD2 . HIS B 675 ? 0.5568 0.6206 0.6363 0.0697 -0.0441 -0.1245 757 HIS B CD2 9863 C CE1 . HIS B 675 ? 0.5122 0.5790 0.5951 0.0663 -0.0413 -0.1255 757 HIS B CE1 9864 N NE2 . HIS B 675 ? 0.5737 0.6377 0.6554 0.0662 -0.0428 -0.1237 757 HIS B NE2 9865 N N . ASP B 676 ? 0.5372 0.6166 0.6188 0.0815 -0.0434 -0.1337 758 ASP B N 9866 C CA . ASP B 676 ? 0.5535 0.6342 0.6342 0.0865 -0.0429 -0.1356 758 ASP B CA 9867 C C . ASP B 676 ? 0.5227 0.6145 0.6104 0.0821 -0.0465 -0.1373 758 ASP B C 9868 O O . ASP B 676 ? 0.6385 0.7337 0.7274 0.0839 -0.0485 -0.1388 758 ASP B O 9869 C CB . ASP B 676 ? 0.6612 0.7355 0.7370 0.0941 -0.0361 -0.1368 758 ASP B CB 9870 C CG . ASP B 676 ? 0.8083 0.8703 0.8768 0.0993 -0.0319 -0.1357 758 ASP B CG 9871 O OD1 . ASP B 676 ? 0.7393 0.7976 0.8061 0.0973 -0.0342 -0.1340 758 ASP B OD1 9872 O OD2 . ASP B 676 ? 0.8877 0.9432 0.9519 0.1055 -0.0258 -0.1365 758 ASP B OD2 9873 N N . THR B 677 ? 0.4880 0.5847 0.5800 0.0765 -0.0471 -0.1371 759 THR B N 9874 C CA . THR B 677 ? 0.5202 0.6260 0.6185 0.0721 -0.0494 -0.1388 759 THR B CA 9875 C C . THR B 677 ? 0.4806 0.5928 0.5852 0.0635 -0.0546 -0.1375 759 THR B C 9876 O O . THR B 677 ? 0.5775 0.6946 0.6858 0.0602 -0.0585 -0.1381 759 THR B O 9877 C CB . THR B 677 ? 0.5558 0.6624 0.6542 0.0734 -0.0446 -0.1398 759 THR B CB 9878 O OG1 . THR B 677 ? 0.6017 0.7024 0.6947 0.0819 -0.0391 -0.1406 759 THR B OG1 9879 C CG2 . THR B 677 ? 0.5656 0.6802 0.6698 0.0695 -0.0461 -0.1417 759 THR B CG2 9880 N N . LEU B 678 ? 0.4804 0.5920 0.5859 0.0603 -0.0539 -0.1355 760 LEU B N 9881 C CA . LEU B 678 ? 0.5296 0.6403 0.6364 0.0526 -0.0530 -0.1295 760 LEU B CA 9882 C C . LEU B 678 ? 0.5006 0.6048 0.6036 0.0501 -0.0524 -0.1232 760 LEU B C 9883 O O . LEU B 678 ? 0.4144 0.5146 0.5149 0.0452 -0.0497 -0.1168 760 LEU B O 9884 C CB . LEU B 678 ? 0.6305 0.7405 0.7375 0.0507 -0.0513 -0.1280 760 LEU B CB 9885 C CG . LEU B 678 ? 0.7288 0.8426 0.8379 0.0494 -0.0495 -0.1296 760 LEU B CG 9886 C CD1 . LEU B 678 ? 0.7135 0.8251 0.8217 0.0466 -0.0473 -0.1263 760 LEU B CD1 9887 C CD2 . LEU B 678 ? 0.8002 0.9124 0.9085 0.0450 -0.0468 -0.1255 760 LEU B CD2 9888 N N . LEU B 679 ? 0.5382 0.6416 0.6406 0.0539 -0.0552 -0.1255 761 LEU B N 9889 C CA . LEU B 679 ? 0.5217 0.6194 0.6207 0.0521 -0.0548 -0.1203 761 LEU B CA 9890 C C . LEU B 679 ? 0.5273 0.6242 0.6245 0.0522 -0.0555 -0.1192 761 LEU B C 9891 O O . LEU B 679 ? 0.5283 0.6205 0.6225 0.0482 -0.0534 -0.1127 761 LEU B O 9892 C CB . LEU B 679 ? 0.6237 0.7212 0.7229 0.0572 -0.0583 -0.1246 761 LEU B CB 9893 C CG . LEU B 679 ? 0.6497 0.7422 0.7474 0.0539 -0.0564 -0.1194 761 LEU B CG 9894 C CD1 . LEU B 679 ? 0.5215 0.6134 0.6201 0.0491 -0.0525 -0.1158 761 LEU B CD1 9895 C CD2 . LEU B 679 ? 0.6952 0.7837 0.7906 0.0595 -0.0577 -0.1228 761 LEU B CD2 9896 N N . GLN B 680 ? 0.6468 0.7488 0.7459 0.0573 -0.0587 -0.1260 762 GLN B N 9897 C CA . GLN B 680 ? 0.6177 0.7200 0.7156 0.0582 -0.0599 -0.1262 762 GLN B CA 9898 C C . GLN B 680 ? 0.6101 0.7115 0.7085 0.0521 -0.0561 -0.1215 762 GLN B C 9899 O O . GLN B 680 ? 0.7240 0.8228 0.8203 0.0500 -0.0554 -0.1179 762 GLN B O 9900 C CB . GLN B 680 ? 0.5778 0.6867 0.6776 0.0663 -0.0647 -0.1356 762 GLN B CB 9901 C CG . GLN B 680 ? 0.6614 0.7635 0.7551 0.0732 -0.0639 -0.1360 762 GLN B CG 9902 C CD . GLN B 680 ? 0.7523 0.8504 0.8412 0.0814 -0.0604 -0.1380 762 GLN B CD 9903 O OE1 . GLN B 680 ? 0.7943 0.8979 0.8861 0.0823 -0.0606 -0.1409 762 GLN B OE1 9904 N NE2 . GLN B 680 ? 0.7311 0.8195 0.8129 0.0877 -0.0567 -0.1365 762 GLN B NE2 9905 N N . ARG B 681 ? 0.4950 0.5987 0.5959 0.0498 -0.0539 -0.1219 763 ARG B N 9906 C CA . ARG B 681 ? 0.4927 0.5952 0.5938 0.0445 -0.0505 -0.1178 763 ARG B CA 9907 C C . ARG B 681 ? 0.5270 0.6222 0.6237 0.0383 -0.0469 -0.1081 763 ARG B C 9908 O O . ARG B 681 ? 0.5401 0.6328 0.6352 0.0350 -0.0452 -0.1040 763 ARG B O 9909 C CB . ARG B 681 ? 0.4864 0.5931 0.5909 0.0442 -0.0493 -0.1210 763 ARG B CB 9910 C CG . ARG B 681 ? 0.5305 0.6373 0.6362 0.0402 -0.0467 -0.1192 763 ARG B CG 9911 C CD . ARG B 681 ? 0.5877 0.6953 0.6946 0.0377 -0.0441 -0.1185 763 ARG B CD 9912 N NE . ARG B 681 ? 0.6919 0.8072 0.8034 0.0426 -0.0462 -0.1270 763 ARG B NE 9913 C CZ . ARG B 681 ? 0.8120 0.9293 0.9248 0.0419 -0.0449 -0.1282 763 ARG B CZ 9914 N NH1 . ARG B 681 ? 0.9056 1.0308 1.0225 0.0470 -0.0471 -0.1365 763 ARG B NH1 9915 N NH2 . ARG B 681 ? 0.7591 0.8711 0.8690 0.0367 -0.0415 -0.1212 763 ARG B NH2 9916 N N . TYR B 682 ? 0.4999 0.5921 0.5948 0.0373 -0.0459 -0.1049 764 TYR B N 9917 C CA . TYR B 682 ? 0.5651 0.6512 0.6558 0.0323 -0.0427 -0.0963 764 TYR B CA 9918 C C . TYR B 682 ? 0.6345 0.7173 0.7223 0.0319 -0.0432 -0.0929 764 TYR B C 9919 O O . TYR B 682 ? 0.7424 0.8023 0.8133 0.0319 -0.0338 -0.0945 764 TYR B O 9920 C CB . TYR B 682 ? 0.6361 0.7209 0.7263 0.0320 -0.0419 -0.0950 764 TYR B CB 9921 C CG . TYR B 682 ? 0.6808 0.7684 0.7734 0.0317 -0.0409 -0.0973 764 TYR B CG 9922 C CD1 . TYR B 682 ? 0.6278 0.7170 0.7214 0.0300 -0.0396 -0.0975 764 TYR B CD1 9923 C CD2 . TYR B 682 ? 0.6585 0.7474 0.7525 0.0333 -0.0415 -0.0996 764 TYR B CD2 9924 C CE1 . TYR B 682 ? 0.5462 0.6383 0.6420 0.0300 -0.0389 -0.1000 764 TYR B CE1 9925 C CE2 . TYR B 682 ? 0.5526 0.6445 0.6487 0.0334 -0.0408 -0.1021 764 TYR B CE2 9926 C CZ . TYR B 682 ? 0.4923 0.5858 0.5890 0.0318 -0.0395 -0.1022 764 TYR B CZ 9927 O OH . TYR B 682 ? 0.4454 0.5422 0.5442 0.0321 -0.0389 -0.1051 764 TYR B OH 9928 N N . ALA B 683 ? 0.6090 0.6939 0.6977 0.0367 -0.0468 -0.0980 765 ALA B N 9929 C CA . ALA B 683 ? 0.4950 0.5773 0.5810 0.0371 -0.0478 -0.0959 765 ALA B CA 9930 C C . ALA B 683 ? 0.5273 0.6097 0.6128 0.0354 -0.0473 -0.0946 765 ALA B C 9931 O O . ALA B 683 ? 0.6951 0.7796 0.7875 0.0407 -0.0426 -0.0884 765 ALA B O 9932 C CB . ALA B 683 ? 0.3678 0.4522 0.4544 0.0434 -0.0522 -0.1021 765 ALA B CB 9933 N N . HIS B 684 ? 0.4368 0.5231 0.5255 0.0359 -0.0476 -0.0985 766 HIS B N 9934 C CA . HIS B 684 ? 0.6049 0.6918 0.6940 0.0343 -0.0471 -0.0981 766 HIS B CA 9935 C C . HIS B 684 ? 0.5134 0.6045 0.6136 0.0373 -0.0392 -0.0919 766 HIS B C 9936 O O . HIS B 684 ? 0.5823 0.6837 0.6978 0.0457 -0.0484 -0.1259 766 HIS B O 9937 C CB . HIS B 684 ? 0.8115 0.9046 0.9052 0.0377 -0.0492 -0.1061 766 HIS B CB 9938 C CG . HIS B 684 ? 1.0531 1.1502 1.1479 0.0441 -0.0537 -0.1132 766 HIS B CG 9939 N ND1 . HIS B 684 ? 1.1632 1.2620 1.2581 0.0491 -0.0566 -0.1172 766 HIS B ND1 9940 C CD2 . HIS B 684 ? 1.1390 1.2390 1.2348 0.0470 -0.0562 -0.1174 766 HIS B CD2 9941 C CE1 . HIS B 684 ? 1.2325 1.3348 1.3277 0.0552 -0.0607 -0.1233 766 HIS B CE1 9942 N NE2 . HIS B 684 ? 1.2509 1.3542 1.3467 0.0540 -0.0605 -0.1236 766 HIS B NE2 9943 N N . GLU B 685 ? 0.4335 0.5352 0.5484 0.0441 -0.0465 -0.1246 767 GLU B N 9944 C CA . GLU B 685 ? 0.5248 0.5893 0.6020 0.0295 -0.0315 -0.0982 767 GLU B CA 9945 C C . GLU B 685 ? 0.5322 0.6175 0.6306 0.0308 -0.0333 -0.0859 767 GLU B C 9946 O O . GLU B 685 ? 0.6370 0.6972 0.7133 0.0266 -0.0290 -0.0934 767 GLU B O 9947 C CB . GLU B 685 ? 0.6642 0.7295 0.7417 0.0283 -0.0301 -0.0979 767 GLU B CB 9948 C CG . GLU B 685 ? 0.7611 0.8299 0.8404 0.0292 -0.0307 -0.1014 767 GLU B CG 9949 C CD . GLU B 685 ? 0.8420 0.9375 0.9462 0.0309 -0.0324 -0.0920 767 GLU B CD 9950 O OE1 . GLU B 685 ? 0.8559 0.9486 0.9578 0.0299 -0.0314 -0.0896 767 GLU B OE1 9951 O OE2 . GLU B 685 ? 0.8772 0.9711 0.9758 0.0258 -0.0376 -0.1009 767 GLU B OE2 9952 N N . ARG B 686 ? 0.5205 0.6132 0.6305 0.0397 -0.0428 -0.1157 768 ARG B N 9953 C CA . ARG B 686 ? 0.5197 0.5759 0.5912 0.0279 -0.0304 -0.0897 768 ARG B CA 9954 C C . ARG B 686 ? 0.3745 0.4523 0.4660 0.0322 -0.0351 -0.0811 768 ARG B C 9955 O O . ARG B 686 ? 0.4360 0.4883 0.5042 0.0290 -0.0318 -0.0870 768 ARG B O 9956 C CB . ARG B 686 ? 0.5487 0.6263 0.6401 0.0297 -0.0324 -0.0797 768 ARG B CB 9957 C CG . ARG B 686 ? 0.6271 0.6833 0.6985 0.0258 -0.0281 -0.0879 768 ARG B CG 9958 C CD . ARG B 686 ? 0.7100 0.7886 0.8017 0.0285 -0.0309 -0.0796 768 ARG B CD 9959 N NE . ARG B 686 ? 0.7281 0.8036 0.8176 0.0275 -0.0301 -0.0770 768 ARG B NE 9960 C CZ . ARG B 686 ? 0.6348 0.6875 0.7036 0.0234 -0.0258 -0.0829 768 ARG B CZ 9961 N NH1 . ARG B 686 ? 0.7107 0.7647 0.7804 0.0224 -0.0246 -0.0833 768 ARG B NH1 9962 N NH2 . ARG B 686 ? 0.3916 0.4423 0.4592 0.0228 -0.0253 -0.0807 768 ARG B NH2 9963 N N . ASN B 687 ? 0.2955 0.3519 0.3658 0.0316 -0.0341 -0.0925 769 ASN B N 9964 C CA . ASN B 687 ? 0.3267 0.3820 0.3952 0.0337 -0.0362 -0.0929 769 ASN B CA 9965 C C . ASN B 687 ? 0.3390 0.3921 0.4046 0.0348 -0.0372 -0.0913 769 ASN B C 9966 O O . ASN B 687 ? 0.3359 0.3867 0.3997 0.0348 -0.0374 -0.0894 769 ASN B O 9967 C CB . ASN B 687 ? 0.3680 0.4457 0.4589 0.0356 -0.0386 -0.0827 769 ASN B CB 9968 C CG . ASN B 687 ? 0.4166 0.5025 0.5193 0.0479 -0.0515 -0.1153 769 ASN B CG 9969 O OD1 . ASN B 687 ? 0.5110 0.5673 0.5800 0.0364 -0.0389 -0.0960 769 ASN B OD1 9970 N ND2 . ASN B 687 ? 0.3234 0.3981 0.4100 0.0391 -0.0421 -0.0820 769 ASN B ND2 9971 N N . GLY B 688 ? 0.4527 0.5067 0.5181 0.0357 -0.0379 -0.0924 770 GLY B N 9972 C CA . GLY B 688 ? 0.4973 0.5803 0.5938 0.0500 -0.0531 -0.1131 770 GLY B CA 9973 C C . GLY B 688 ? 0.4130 0.4866 0.4980 0.0374 -0.0401 -0.0800 770 GLY B C 9974 O O . GLY B 688 ? 0.4741 0.5470 0.5597 0.0348 -0.0377 -0.0785 770 GLY B O 9975 N N . ILE B 689 ? 0.2836 0.3546 0.3625 0.0341 -0.0451 -0.0844 771 ILE B N 9976 C CA . ILE B 689 ? 0.3042 0.3740 0.3834 0.0319 -0.0429 -0.0821 771 ILE B CA 9977 C C . ILE B 689 ? 0.3268 0.3958 0.4067 0.0348 -0.0448 -0.0848 771 ILE B C 9978 O O . ILE B 689 ? 0.4317 0.5022 0.5127 0.0399 -0.0487 -0.0907 771 ILE B O 9979 C CB . ILE B 689 ? 0.4221 0.4950 0.5043 0.0321 -0.0426 -0.0852 771 ILE B CB 9980 C CG1 . ILE B 689 ? 0.5049 0.5819 0.5902 0.0379 -0.0468 -0.0936 771 ILE B CG1 9981 C CG2 . ILE B 689 ? 0.4548 0.5083 0.5214 0.0311 -0.0335 -0.0886 771 ILE B CG2 9982 C CD1 . ILE B 689 ? 0.5371 0.6180 0.6257 0.0388 -0.0470 -0.0976 771 ILE B CD1 9983 N N . ASN B 690 ? 0.2197 0.2864 0.2987 0.0319 -0.0422 -0.0808 772 ASN B N 9984 C CA . ASN B 690 ? 0.1924 0.2587 0.2731 0.0343 -0.0438 -0.0838 772 ASN B CA 9985 C C . ASN B 690 ? 0.2553 0.3238 0.3394 0.0344 -0.0433 -0.0866 772 ASN B C 9986 O O . ASN B 690 ? 0.3091 0.3772 0.3926 0.0305 -0.0401 -0.0825 772 ASN B O 9987 C CB . ASN B 690 ? 0.2786 0.3416 0.3571 0.0316 -0.0416 -0.0789 772 ASN B CB 9988 C CG . ASN B 690 ? 0.3812 0.4440 0.4622 0.0337 -0.0429 -0.0824 772 ASN B CG 9989 O OD1 . ASN B 690 ? 0.2159 0.2788 0.2986 0.0316 -0.0408 -0.0813 772 ASN B OD1 9990 N ND2 . ASN B 690 ? 0.4090 0.4715 0.4903 0.0383 -0.0468 -0.0869 772 ASN B ND2 9991 N N . VAL B 691 ? 0.1691 0.2399 0.2566 0.0391 -0.0469 -0.0937 773 VAL B N 9992 C CA . VAL B 691 ? 0.1868 0.2605 0.2782 0.0400 -0.0470 -0.0976 773 VAL B CA 9993 C C . VAL B 691 ? 0.2964 0.3699 0.3911 0.0413 -0.0478 -0.1007 773 VAL B C 9994 O O . VAL B 691 ? 0.3050 0.3777 0.4004 0.0450 -0.0510 -0.1044 773 VAL B O 9995 C CB . VAL B 691 ? 0.1842 0.2618 0.2780 0.0450 -0.0508 -0.1048 773 VAL B CB 9996 C CG1 . VAL B 691 ? 0.1328 0.2139 0.2308 0.0458 -0.0508 -0.1091 773 VAL B CG1 9997 C CG2 . VAL B 691 ? 0.2589 0.3373 0.3504 0.0438 -0.0500 -0.1027 773 VAL B CG2 9998 N N . VAL B 692 ? 0.0915 0.1657 0.1882 0.0384 -0.0452 -0.0994 774 VAL B N 9999 C CA . VAL B 692 ? 0.3481 0.4232 0.4494 0.0395 -0.0458 -0.1035 774 VAL B CA 10000 C C . VAL B 692 ? 0.2882 0.3673 0.3938 0.0407 -0.0463 -0.1084 774 VAL B C 10001 O O . VAL B 692 ? 0.4059 0.4855 0.5100 0.0375 -0.0436 -0.1049 774 VAL B O 10002 C CB . VAL B 692 ? 0.3921 0.4644 0.4920 0.0349 -0.0420 -0.0976 774 VAL B CB 10003 C CG1 . VAL B 692 ? 0.3109 0.3847 0.4169 0.0358 -0.0425 -0.1026 774 VAL B CG1 10004 C CG2 . VAL B 692 ? 0.5239 0.5927 0.6197 0.0339 -0.0416 -0.0931 774 VAL B CG2 10005 N N . SER B 693 ? 0.1927 0.2629 0.2926 0.0449 -0.0438 -0.1116 775 SER B N 10006 C CA . SER B 693 ? 0.2117 0.2791 0.3095 0.0465 -0.0412 -0.1143 775 SER B CA 10007 C C . SER B 693 ? 0.3133 0.3699 0.4060 0.0475 -0.0361 -0.1152 775 SER B C 10008 O O . SER B 693 ? 0.4780 0.5264 0.5663 0.0482 -0.0340 -0.1140 775 SER B O 10009 C CB . SER B 693 ? 0.3908 0.4539 0.4828 0.0514 -0.0407 -0.1166 775 SER B CB 10010 O OG . SER B 693 ? 0.6391 0.7121 0.7359 0.0502 -0.0452 -0.1163 775 SER B OG 10011 N N . GLY B 694 ? 0.3215 0.3776 0.4142 0.0477 -0.0340 -0.1176 776 GLY B N 10012 C CA . GLY B 694 ? 0.3908 0.4363 0.4783 0.0486 -0.0292 -0.1193 776 GLY B CA 10013 C C . GLY B 694 ? 0.4192 0.4662 0.5074 0.0486 -0.0278 -0.1222 776 GLY B C 10014 O O . GLY B 694 ? 0.4376 0.4950 0.5312 0.0474 -0.0307 -0.1224 776 GLY B O 10015 N N . PRO B 695 ? 0.4347 0.4707 0.5168 0.0502 -0.0231 -0.1247 777 PRO B N 10016 C CA . PRO B 695 ? 0.3954 0.4308 0.4765 0.0507 -0.0212 -0.1281 777 PRO B CA 10017 C C . PRO B 695 ? 0.3695 0.4154 0.4596 0.0460 -0.0231 -0.1278 777 PRO B C 10018 O O . PRO B 695 ? 0.2109 0.2601 0.3058 0.0427 -0.0239 -0.1255 777 PRO B O 10019 C CB . PRO B 695 ? 0.4323 0.4506 0.5031 0.0537 -0.0154 -0.1309 777 PRO B CB 10020 C CG . PRO B 695 ? 0.4610 0.4744 0.5311 0.0521 -0.0145 -0.1284 777 PRO B CG 10021 C CD . PRO B 695 ? 0.5018 0.5239 0.5765 0.0515 -0.0189 -0.1247 777 PRO B CD 10022 N N . VAL B 696 ? 0.4086 0.4594 0.5004 0.0461 -0.0235 -0.1300 778 VAL B N 10023 C CA . VAL B 696 ? 0.3941 0.4548 0.4940 0.0423 -0.0250 -0.1301 778 VAL B CA 10024 C C . VAL B 696 ? 0.4168 0.4713 0.5121 0.0437 -0.0218 -0.1346 778 VAL B C 10025 O O . VAL B 696 ? 0.4393 0.4889 0.5282 0.0471 -0.0202 -0.1374 778 VAL B O 10026 C CB . VAL B 696 ? 0.3437 0.4186 0.4512 0.0406 -0.0295 -0.1283 778 VAL B CB 10027 C CG1 . VAL B 696 ? 0.2817 0.3661 0.3969 0.0373 -0.0308 -0.1284 778 VAL B CG1 10028 C CG2 . VAL B 696 ? 0.2453 0.3262 0.3572 0.0389 -0.0329 -0.1244 778 VAL B CG2 10029 N N . PHE B 697 ? 0.4688 0.5234 0.5672 0.0410 -0.0205 -0.1355 779 PHE B N 10030 C CA . PHE B 697 ? 0.5054 0.5541 0.5996 0.0418 -0.0176 -0.1402 779 PHE B CA 10031 C C . PHE B 697 ? 0.4829 0.5440 0.5862 0.0387 -0.0198 -0.1406 779 PHE B C 10032 O O . PHE B 697 ? 0.7283 0.7923 0.8371 0.0355 -0.0195 -0.1399 779 PHE B O 10033 C CB . PHE B 697 ? 0.5778 0.6121 0.6651 0.0420 -0.0130 -0.1423 779 PHE B CB 10034 C CG . PHE B 697 ? 0.5807 0.6018 0.6586 0.0454 -0.0104 -0.1417 779 PHE B CG 10035 C CD1 . PHE B 697 ? 0.6140 0.6236 0.6815 0.0499 -0.0073 -0.1450 779 PHE B CD1 10036 C CD2 . PHE B 697 ? 0.6213 0.6410 0.7002 0.0445 -0.0108 -0.1379 779 PHE B CD2 10037 C CE1 . PHE B 697 ? 0.6624 0.6597 0.7212 0.0535 -0.0046 -0.1444 779 PHE B CE1 10038 C CE2 . PHE B 697 ? 0.7232 0.7305 0.7930 0.0481 -0.0084 -0.1374 779 PHE B CE2 10039 C CZ . PHE B 697 ? 0.7082 0.7045 0.7683 0.0527 -0.0052 -0.1406 779 PHE B CZ 10040 N N . ASP B 698 ? 0.2923 0.3604 0.3969 0.0397 -0.0217 -0.1417 780 ASP B N 10041 C CA . ASP B 698 ? 0.4027 0.4815 0.5145 0.0376 -0.0235 -0.1425 780 ASP B CA 10042 C C . ASP B 698 ? 0.5050 0.5809 0.6107 0.0404 -0.0223 -0.1473 780 ASP B C 10043 O O . ASP B 698 ? 0.4609 0.5430 0.5669 0.0418 -0.0244 -0.1469 780 ASP B O 10044 C CB . ASP B 698 ? 0.3380 0.4312 0.4591 0.0354 -0.0280 -0.1381 780 ASP B CB 10045 C CG . ASP B 698 ? 0.2846 0.3888 0.4138 0.0331 -0.0297 -0.1383 780 ASP B CG 10046 O OD1 . ASP B 698 ? 0.2421 0.3448 0.3731 0.0318 -0.0278 -0.1404 780 ASP B OD1 10047 O OD2 . ASP B 698 ? 0.3077 0.4217 0.4413 0.0327 -0.0328 -0.1364 780 ASP B OD2 10048 N N . PHE B 699 ? 0.5000 0.5655 0.5993 0.0413 -0.0187 -0.1520 781 PHE B N 10049 C CA . PHE B 699 ? 0.4189 0.4793 0.5106 0.0441 -0.0170 -0.1572 781 PHE B CA 10050 C C . PHE B 699 ? 0.3334 0.4051 0.4312 0.0428 -0.0193 -0.1587 781 PHE B C 10051 O O . PHE B 699 ? 0.4721 0.5438 0.5651 0.0453 -0.0192 -0.1619 781 PHE B O 10052 C CB . PHE B 699 ? 0.2198 0.2640 0.3016 0.0453 -0.0123 -0.1621 781 PHE B CB 10053 C CG . PHE B 699 ? 0.2304 0.2617 0.3046 0.0474 -0.0095 -0.1610 781 PHE B CG 10054 C CD1 . PHE B 699 ? 0.5532 0.5768 0.6183 0.0518 -0.0077 -0.1621 781 PHE B CD1 10055 C CD2 . PHE B 699 ? 0.2289 0.2553 0.3044 0.0453 -0.0082 -0.1589 781 PHE B CD2 10056 C CE1 . PHE B 699 ? 0.5002 0.5119 0.5582 0.0542 -0.0049 -0.1612 781 PHE B CE1 10057 C CE2 . PHE B 699 ? 0.4318 0.4458 0.4995 0.0477 -0.0056 -0.1579 781 PHE B CE2 10058 C CZ . PHE B 699 ? 0.4488 0.4555 0.5079 0.0523 -0.0039 -0.1590 781 PHE B CZ 10059 N N . ASP B 700 ? 0.2322 0.3133 0.3403 0.0392 -0.0211 -0.1565 782 ASP B N 10060 C CA . ASP B 700 ? 0.2494 0.3418 0.3640 0.0380 -0.0232 -0.1577 782 ASP B CA 10061 C C . ASP B 700 ? 0.3410 0.4465 0.4625 0.0377 -0.0273 -0.1533 782 ASP B C 10062 O O . ASP B 700 ? 0.3041 0.4198 0.4317 0.0369 -0.0294 -0.1533 782 ASP B O 10063 C CB . ASP B 700 ? 0.2234 0.3189 0.3453 0.0346 -0.0225 -0.1582 782 ASP B CB 10064 C CG . ASP B 700 ? 0.4095 0.5080 0.5382 0.0318 -0.0231 -0.1528 782 ASP B CG 10065 O OD1 . ASP B 700 ? 0.4950 0.5890 0.6204 0.0327 -0.0232 -0.1498 782 ASP B OD1 10066 O OD2 . ASP B 700 ? 0.4225 0.5278 0.5597 0.0289 -0.0234 -0.1516 782 ASP B OD2 10067 N N . TYR B 701 ? 0.3372 0.4418 0.4571 0.0385 -0.0283 -0.1497 783 TYR B N 10068 C CA . TYR B 701 ? 0.4311 0.5459 0.5557 0.0381 -0.0319 -0.1456 783 TYR B CA 10069 C C . TYR B 701 ? 0.4577 0.5852 0.5931 0.0349 -0.0348 -0.1427 783 TYR B C 10070 O O . TYR B 701 ? 0.3191 0.4501 0.4525 0.0351 -0.0357 -0.1404 783 TYR B O 10071 C CB . TYR B 701 ? 0.4850 0.5990 0.6026 0.0415 -0.0320 -0.1479 783 TYR B CB 10072 C CG . TYR B 701 ? 0.5647 0.6777 0.6784 0.0434 -0.0308 -0.1530 783 TYR B CG 10073 C CD1 . TYR B 701 ? 0.5764 0.6998 0.6956 0.0427 -0.0332 -0.1530 783 TYR B CD1 10074 C CD2 . TYR B 701 ? 0.5972 0.6984 0.7012 0.0460 -0.0273 -0.1582 783 TYR B CD2 10075 C CE1 . TYR B 701 ? 0.6361 0.7589 0.7514 0.0446 -0.0323 -0.1580 783 TYR B CE1 10076 C CE2 . TYR B 701 ? 0.6322 0.7321 0.7319 0.0475 -0.0262 -0.1634 783 TYR B CE2 10077 C CZ . TYR B 701 ? 0.7227 0.8338 0.8283 0.0469 -0.0289 -0.1633 783 TYR B CZ 10078 O OH . TYR B 701 ? 0.7985 0.9085 0.8994 0.0486 -0.0280 -0.1689 783 TYR B OH 10079 N N . ASP B 702 ? 0.4987 0.6254 0.6382 0.0320 -0.0336 -0.1402 784 ASP B N 10080 C CA . ASP B 702 ? 0.4052 0.5268 0.5389 0.0287 -0.0312 -0.1313 784 ASP B CA 10081 C C . ASP B 702 ? 0.3364 0.4498 0.4628 0.0261 -0.0296 -0.1209 784 ASP B C 10082 O O . ASP B 702 ? 0.3113 0.4199 0.4318 0.0235 -0.0278 -0.1128 784 ASP B O 10083 C CB . ASP B 702 ? 0.3031 0.4262 0.4424 0.0271 -0.0298 -0.1342 784 ASP B CB 10084 C CG . ASP B 702 ? 0.3807 0.5022 0.5251 0.0263 -0.0291 -0.1366 784 ASP B CG 10085 O OD1 . ASP B 702 ? 0.4450 0.5667 0.5911 0.0279 -0.0305 -0.1394 784 ASP B OD1 10086 O OD2 . ASP B 702 ? 0.3869 0.5073 0.5341 0.0240 -0.0272 -0.1361 784 ASP B OD2 10087 N N . GLY B 703 ? 0.2760 0.3881 0.4028 0.0270 -0.0304 -0.1218 785 GLY B N 10088 C CA . GLY B 703 ? 0.4070 0.5122 0.5275 0.0248 -0.0292 -0.1132 785 GLY B CA 10089 C C . GLY B 703 ? 0.4522 0.5539 0.5741 0.0230 -0.0278 -0.1112 785 GLY B C 10090 O O . GLY B 703 ? 0.6411 0.7374 0.7580 0.0214 -0.0268 -0.1046 785 GLY B O 10091 N N . ARG B 704 ? 0.2876 0.3929 0.4168 0.0233 -0.0277 -0.1176 786 ARG B N 10092 C CA . ARG B 704 ? 0.3184 0.4212 0.4503 0.0217 -0.0263 -0.1171 786 ARG B CA 10093 C C . ARG B 704 ? 0.3299 0.4370 0.4716 0.0237 -0.0276 -0.1272 786 ARG B C 10094 O O . ARG B 704 ? 0.4566 0.5647 0.5990 0.0263 -0.0282 -0.1337 786 ARG B O 10095 C CB . ARG B 704 ? 0.3244 0.4267 0.4563 0.0195 -0.0242 -0.1149 786 ARG B CB 10096 C CG . ARG B 704 ? 0.2874 0.3859 0.4104 0.0179 -0.0232 -0.1058 786 ARG B CG 10097 C CD . ARG B 704 ? 0.4698 0.5645 0.5899 0.0153 -0.0210 -0.1000 786 ARG B CD 10098 N NE . ARG B 704 ? 0.6304 0.7294 0.7568 0.0151 -0.0204 -0.1055 786 ARG B NE 10099 C CZ . ARG B 704 ? 0.7391 0.8363 0.8645 0.0132 -0.0186 -0.1022 786 ARG B CZ 10100 N NH1 . ARG B 704 ? 0.7742 0.8653 0.8924 0.0115 -0.0174 -0.0935 786 ARG B NH1 10101 N NH2 . ARG B 704 ? 0.7521 0.8538 0.8838 0.0131 -0.0180 -0.1081 786 ARG B NH2 10102 N N . TYR B 705 ? 0.3407 0.4451 0.4848 0.0227 -0.0267 -0.1270 787 TYR B N 10103 C CA . TYR B 705 ? 0.5338 0.6264 0.6714 0.0246 -0.0239 -0.1308 787 TYR B CA 10104 C C . TYR B 705 ? 0.5226 0.6097 0.6580 0.0245 -0.0206 -0.1358 787 TYR B C 10105 O O . TYR B 705 ? 0.3635 0.4576 0.5060 0.0222 -0.0204 -0.1364 787 TYR B O 10106 C CB . TYR B 705 ? 0.6254 0.7119 0.7612 0.0236 -0.0225 -0.1277 787 TYR B CB 10107 C CG . TYR B 705 ? 0.6528 0.7429 0.7951 0.0202 -0.0211 -0.1264 787 TYR B CG 10108 C CD1 . TYR B 705 ? 0.6219 0.7178 0.7663 0.0179 -0.0223 -0.1200 787 TYR B CD1 10109 C CD2 . TYR B 705 ? 0.6768 0.7575 0.8155 0.0195 -0.0169 -0.1292 787 TYR B CD2 10110 C CE1 . TYR B 705 ? 0.5703 0.6640 0.7144 0.0153 -0.0197 -0.1168 787 TYR B CE1 10111 C CE2 . TYR B 705 ? 0.6814 0.7653 0.8260 0.0164 -0.0153 -0.1281 787 TYR B CE2 10112 C CZ . TYR B 705 ? 0.6199 0.7163 0.7738 0.0143 -0.0179 -0.1241 787 TYR B CZ 10113 O OH . TYR B 705 ? 0.6522 0.7468 0.8061 0.0116 -0.0151 -0.1213 787 TYR B OH 10114 N N . ASP B 706 ? 0.5539 0.6280 0.6790 0.0272 -0.0178 -0.1395 788 ASP B N 10115 C CA . ASP B 706 ? 0.5941 0.6612 0.7152 0.0273 -0.0147 -0.1451 788 ASP B CA 10116 C C . ASP B 706 ? 0.6300 0.6877 0.7490 0.0253 -0.0108 -0.1460 788 ASP B C 10117 O O . ASP B 706 ? 0.6922 0.7428 0.8076 0.0253 -0.0096 -0.1432 788 ASP B O 10118 C CB . ASP B 706 ? 0.6180 0.6741 0.7279 0.0311 -0.0130 -0.1490 788 ASP B CB 10119 C CG . ASP B 706 ? 0.4581 0.5226 0.5692 0.0332 -0.0163 -0.1486 788 ASP B CG 10120 O OD1 . ASP B 706 ? 0.3141 0.3928 0.4346 0.0316 -0.0198 -0.1459 788 ASP B OD1 10121 O OD2 . ASP B 706 ? 0.4856 0.5417 0.5876 0.0366 -0.0151 -0.1510 788 ASP B OD2 10122 N N . SER B 707 ? 0.7078 0.7650 0.8284 0.0236 -0.0089 -0.1503 789 SER B N 10123 C CA . SER B 707 ? 0.8000 0.8474 0.9180 0.0214 -0.0049 -0.1520 789 SER B CA 10124 C C . SER B 707 ? 0.8177 0.8456 0.9217 0.0237 -0.0012 -0.1558 789 SER B C 10125 O O . SER B 707 ? 0.7453 0.7682 0.8422 0.0269 -0.0015 -0.1578 789 SER B O 10126 C CB . SER B 707 ? 0.7046 0.7586 0.8295 0.0186 -0.0042 -0.1558 789 SER B CB 10127 O OG . SER B 707 ? 0.6167 0.6687 0.7374 0.0201 -0.0043 -0.1614 789 SER B OG 10128 N N . LEU B 708 ? 0.8538 0.8699 0.9533 0.0221 0.0026 -0.1569 790 LEU B N 10129 C CA . LEU B 708 ? 0.9423 0.9379 1.0275 0.0243 0.0066 -0.1603 790 LEU B CA 10130 C C . LEU B 708 ? 1.0304 1.0200 1.1099 0.0250 0.0078 -0.1673 790 LEU B C 10131 O O . LEU B 708 ? 0.9990 0.9740 1.0663 0.0282 0.0099 -0.1703 790 LEU B O 10132 C CB . LEU B 708 ? 0.9500 0.9343 1.0318 0.0221 0.0104 -0.1602 790 LEU B CB 10133 C CG . LEU B 708 ? 0.9202 0.8988 0.9986 0.0231 0.0111 -0.1547 790 LEU B CG 10134 C CD1 . LEU B 708 ? 0.8657 0.8285 0.9304 0.0279 0.0128 -0.1550 790 LEU B CD1 10135 C CD2 . LEU B 708 ? 0.8934 0.8896 0.9830 0.0222 0.0069 -0.1486 790 LEU B CD2 10136 N N . GLU B 709 ? 1.1034 1.1041 1.1913 0.0223 0.0065 -0.1701 791 GLU B N 10137 C CA . GLU B 709 ? 1.1221 1.1179 1.2049 0.0226 0.0073 -0.1772 791 GLU B CA 10138 C C . GLU B 709 ? 1.1229 1.1196 1.2006 0.0266 0.0055 -0.1784 791 GLU B C 10139 O O . GLU B 709 ? 1.2409 1.2230 1.3064 0.0288 0.0079 -0.1832 791 GLU B O 10140 C CB . GLU B 709 ? 1.1844 1.1934 1.2781 0.0190 0.0061 -0.1798 791 GLU B CB 10141 C CG . GLU B 709 ? 1.3024 1.3246 1.4091 0.0159 0.0051 -0.1746 791 GLU B CG 10142 C CD . GLU B 709 ? 1.4408 1.4517 1.5446 0.0135 0.0089 -0.1739 791 GLU B CD 10143 O OE1 . GLU B 709 ? 1.4564 1.4657 1.5626 0.0102 0.0111 -0.1779 791 GLU B OE1 10144 O OE2 . GLU B 709 ? 1.5031 1.5069 1.6021 0.0150 0.0097 -0.1695 791 GLU B OE2 10145 N N . ILE B 710 ? 1.0005 1.0133 1.0868 0.0275 0.0015 -0.1742 792 ILE B N 10146 C CA . ILE B 710 ? 0.8825 0.8970 0.9645 0.0312 -0.0003 -0.1751 792 ILE B CA 10147 C C . ILE B 710 ? 0.6952 0.6992 0.7682 0.0349 0.0010 -0.1725 792 ILE B C 10148 O O . ILE B 710 ? 0.6502 0.6488 0.7153 0.0385 0.0015 -0.1747 792 ILE B O 10149 C CB . ILE B 710 ? 0.3954 0.4301 0.4890 0.0310 -0.0050 -0.1719 792 ILE B CB 10150 C CG1 . ILE B 710 ? 0.4533 0.4950 0.5513 0.0320 -0.0076 -0.1649 792 ILE B CG1 10151 C CG2 . ILE B 710 ? 0.3577 0.4043 0.4627 0.0272 -0.0062 -0.1722 792 ILE B CG2 10152 C CD1 . ILE B 710 ? 0.5084 0.5684 0.6169 0.0316 -0.0122 -0.1618 792 ILE B CD1 10153 N N . LEU B 711 ? 0.6538 0.6547 0.7278 0.0342 0.0017 -0.1680 793 LEU B N 10154 C CA . LEU B 711 ? 0.7156 0.7060 0.7810 0.0378 0.0032 -0.1656 793 LEU B CA 10155 C C . LEU B 711 ? 0.7277 0.6968 0.7779 0.0404 0.0081 -0.1709 793 LEU B C 10156 O O . LEU B 711 ? 0.7661 0.7267 0.8075 0.0447 0.0096 -0.1713 793 LEU B O 10157 C CB . LEU B 711 ? 0.7832 0.7740 0.8520 0.0364 0.0030 -0.1601 793 LEU B CB 10158 C CG . LEU B 711 ? 0.8255 0.8336 0.9054 0.0355 -0.0017 -0.1540 793 LEU B CG 10159 C CD1 . LEU B 711 ? 0.8925 0.8990 0.9740 0.0342 -0.0014 -0.1492 793 LEU B CD1 10160 C CD2 . LEU B 711 ? 0.8320 0.8426 0.9092 0.0392 -0.0036 -0.1531 793 LEU B CD2 10161 N N . LYS B 712 ? 0.7735 0.7335 0.8205 0.0379 0.0108 -0.1750 794 LYS B N 10162 C CA . LYS B 712 ? 0.7487 0.6870 0.7806 0.0401 0.0155 -0.1804 794 LYS B CA 10163 C C . LYS B 712 ? 0.8008 0.7371 0.8269 0.0420 0.0157 -0.1862 794 LYS B C 10164 O O . LYS B 712 ? 0.8703 0.7893 0.8826 0.0454 0.0193 -0.1902 794 LYS B O 10165 C CB . LYS B 712 ? 0.6013 0.5305 0.6317 0.0363 0.0180 -0.1834 794 LYS B CB 10166 N N . GLN B 713 ? 0.7308 0.6843 0.7670 0.0402 0.0119 -0.1865 795 GLN B N 10167 C CA . GLN B 713 ? 0.8126 0.7663 0.8440 0.0419 0.0116 -0.1919 795 GLN B CA 10168 C C . GLN B 713 ? 0.8156 0.7705 0.8429 0.0468 0.0111 -0.1900 795 GLN B C 10169 O O . GLN B 713 ? 0.9000 0.8477 0.9180 0.0496 0.0127 -0.1948 795 GLN B O 10170 C CB . GLN B 713 ? 0.9156 0.8875 0.9592 0.0386 0.0077 -0.1927 795 GLN B CB 10171 C CG . GLN B 713 ? 1.0326 1.0043 1.0807 0.0338 0.0085 -0.1955 795 GLN B CG 10172 C CD . GLN B 713 ? 1.0605 1.0508 1.1209 0.0312 0.0049 -0.1961 795 GLN B CD 10173 O OE1 . GLN B 713 ? 1.0653 1.0670 1.1290 0.0331 0.0019 -0.1953 795 GLN B OE1 10174 N NE2 . GLN B 713 ? 1.0242 1.0173 1.0909 0.0269 0.0053 -0.1977 795 GLN B NE2 10175 N N . ASN B 714 ? 0.7323 0.6961 0.7663 0.0477 0.0089 -0.1834 796 ASN B N 10176 C CA . ASN B 714 ? 0.6658 0.6326 0.6975 0.0519 0.0081 -0.1812 796 ASN B CA 10177 C C . ASN B 714 ? 0.6460 0.5983 0.6681 0.0558 0.0117 -0.1796 796 ASN B C 10178 O O . ASN B 714 ? 0.6337 0.5896 0.6558 0.0590 0.0110 -0.1767 796 ASN B O 10179 C CB . ASN B 714 ? 0.6151 0.6027 0.6607 0.0503 0.0028 -0.1753 796 ASN B CB 10180 C CG . ASN B 714 ? 0.5799 0.5820 0.6345 0.0476 -0.0006 -0.1767 796 ASN B CG 10181 O OD1 . ASN B 714 ? 0.5067 0.5143 0.5602 0.0495 -0.0020 -0.1784 796 ASN B OD1 10182 N ND2 . ASN B 714 ? 0.6469 0.6551 0.7098 0.0433 -0.0017 -0.1759 796 ASN B ND2 10183 N N . SER B 715 ? 0.6068 0.5426 0.6208 0.0555 0.0157 -0.1816 797 SER B N 10184 C CA . SER B 715 ? 0.6592 0.5790 0.6629 0.0596 0.0199 -0.1804 797 SER B CA 10185 C C . SER B 715 ? 0.6147 0.5186 0.6040 0.0645 0.0246 -0.1856 797 SER B C 10186 O O . SER B 715 ? 0.6926 0.5811 0.6717 0.0644 0.0282 -0.1912 797 SER B O 10187 C CB . SER B 715 ? 0.8395 0.7471 0.8396 0.0576 0.0224 -0.1801 797 SER B CB 10188 O OG . SER B 715 ? 0.9405 0.8282 0.9270 0.0623 0.0276 -0.1807 797 SER B OG 10189 N N . ARG B 716 ? 0.6817 0.5891 0.6700 0.0687 0.0247 -0.1840 798 ARG B N 10190 C CA . ARG B 716 ? 0.7931 0.6862 0.7682 0.0739 0.0297 -0.1885 798 ARG B CA 10191 C C . ARG B 716 ? 0.8264 0.6972 0.7886 0.0774 0.0361 -0.1895 798 ARG B C 10192 O O . ARG B 716 ? 0.9146 0.7829 0.8788 0.0766 0.0361 -0.1856 798 ARG B O 10193 C CB . ARG B 716 ? 0.8004 0.7040 0.7788 0.0775 0.0284 -0.1861 798 ARG B CB 10194 C CG . ARG B 716 ? 0.8841 0.8070 0.8723 0.0750 0.0230 -0.1858 798 ARG B CG 10195 C CD . ARG B 716 ? 0.9866 0.9077 0.9680 0.0795 0.0252 -0.1889 798 ARG B CD 10196 N NE . ARG B 716 ? 1.0459 0.9639 1.0245 0.0845 0.0278 -0.1863 798 ARG B NE 10197 C CZ . ARG B 716 ? 1.0343 0.9616 1.0154 0.0873 0.0267 -0.1850 798 ARG B CZ 10198 N NH1 . ARG B 716 ? 1.0155 0.9550 1.0010 0.0858 0.0233 -0.1859 798 ARG B NH1 10199 N NH2 . ARG B 716 ? 0.9824 0.9064 0.9612 0.0918 0.0294 -0.1828 798 ARG B NH2 10200 N N . VAL B 717 ? 0.7591 0.6132 0.7077 0.0816 0.0417 -0.1947 799 VAL B N 10201 C CA . VAL B 717 ? 0.7970 0.6283 0.7320 0.0859 0.0487 -0.1959 799 VAL B CA 10202 C C . VAL B 717 ? 0.7941 0.6197 0.7235 0.0925 0.0537 -0.1959 799 VAL B C 10203 O O . VAL B 717 ? 0.6836 0.5102 0.6097 0.0946 0.0551 -0.1995 799 VAL B O 10204 C CB . VAL B 717 ? 0.8661 0.6770 0.7873 0.0854 0.0525 -0.2029 799 VAL B CB 10205 C CG1 . VAL B 717 ? 0.9673 0.7813 0.8859 0.0847 0.0517 -0.2087 799 VAL B CG1 10206 C CG2 . VAL B 717 ? 0.7491 0.5344 0.6542 0.0910 0.0606 -0.2046 799 VAL B CG2 10207 N N . ILE B 718 ? 0.8076 0.6279 0.7363 0.0957 0.0567 -0.1919 800 ILE B N 10208 C CA . ILE B 718 ? 0.8676 0.6835 0.7930 0.1020 0.0620 -0.1919 800 ILE B CA 10209 C C . ILE B 718 ? 0.9890 0.7853 0.9059 0.1058 0.0696 -0.1914 800 ILE B C 10210 O O . ILE B 718 ? 0.9545 0.7495 0.8737 0.1040 0.0683 -0.1876 800 ILE B O 10211 C CB . ILE B 718 ? 0.9933 0.8317 0.9324 0.1024 0.0564 -0.1865 800 ILE B CB 10212 C CG1 . ILE B 718 ? 1.0894 0.9235 1.0265 0.1090 0.0619 -0.1860 800 ILE B CG1 10213 C CG2 . ILE B 718 ? 0.9686 0.8184 0.9180 0.0985 0.0506 -0.1806 800 ILE B CG2 10214 C CD1 . ILE B 718 ? 1.0711 0.9256 1.0202 0.1098 0.0563 -0.1810 800 ILE B CD1 10215 N N . ARG B 719 ? 1.1232 0.9042 1.0309 0.1110 0.0781 -0.1954 801 ARG B N 10216 C CA . ARG B 719 ? 1.1951 0.9603 1.0981 0.1142 0.0857 -0.1948 801 ARG B CA 10217 C C . ARG B 719 ? 1.1540 0.9036 1.0481 0.1112 0.0864 -0.1948 801 ARG B C 10218 O O . ARG B 719 ? 1.1859 0.9295 1.0808 0.1116 0.0889 -0.1911 801 ARG B O 10219 C CB . ARG B 719 ? 1.2757 1.0513 1.1897 0.1165 0.0850 -0.1893 801 ARG B CB 10220 C CG . ARG B 719 ? 1.3433 1.1273 1.2629 0.1217 0.0872 -0.1903 801 ARG B CG 10221 C CD . ARG B 719 ? 1.5041 1.2951 1.4330 0.1252 0.0875 -0.1860 801 ARG B CD 10222 N NE . ARG B 719 ? 1.6699 1.4837 1.6089 0.1239 0.0777 -0.1806 801 ARG B NE 10223 C CZ . ARG B 719 ? 1.7585 1.5839 1.7046 0.1281 0.0764 -0.1786 801 ARG B CZ 10224 N NH1 . ARG B 719 ? 1.8419 1.6595 1.7873 0.1343 0.0839 -0.1815 801 ARG B NH1 10225 N NH2 . ARG B 719 ? 1.7015 1.5465 1.6561 0.1261 0.0676 -0.1740 801 ARG B NH2 10226 N N . SER B 720 ? 1.0348 0.7786 0.9207 0.1083 0.0836 -0.1991 802 SER B N 10227 C CA . SER B 720 ? 0.9531 0.6811 0.8284 0.1062 0.0828 -0.2004 802 SER B CA 10228 C C . SER B 720 ? 0.8446 0.5803 0.7267 0.1025 0.0769 -0.1958 802 SER B C 10229 O O . SER B 720 ? 0.7340 0.4570 0.6084 0.1019 0.0760 -0.1958 802 SER B O 10230 C CB . SER B 720 ? 0.9465 0.6526 0.8102 0.1103 0.0909 -0.2006 802 SER B CB 10231 O OG . SER B 720 ? 0.8910 0.5917 0.7517 0.1132 0.0979 -0.2049 802 SER B OG 10232 N N . GLN B 721 ? 0.8711 0.6271 0.7670 0.1005 0.0725 -0.1922 803 GLN B N 10233 C CA . GLN B 721 ? 0.8890 0.6539 0.7926 0.0965 0.0673 -0.1880 803 GLN B CA 10234 C C . GLN B 721 ? 0.8946 0.6859 0.8142 0.0907 0.0586 -0.1867 803 GLN B C 10235 O O . GLN B 721 ? 0.9727 0.7773 0.8987 0.0913 0.0568 -0.1870 803 GLN B O 10236 C CB . GLN B 721 ? 0.8882 0.6567 0.7974 0.0988 0.0689 -0.1815 803 GLN B CB 10237 C CG . GLN B 721 ? 0.8857 0.6351 0.7853 0.1023 0.0756 -0.1802 803 GLN B CG 10238 C CD . GLN B 721 ? 0.9303 0.6663 0.8206 0.1006 0.0739 -0.1800 803 GLN B CD 10239 O OE1 . GLN B 721 ? 0.8617 0.6058 0.7570 0.0961 0.0678 -0.1799 803 GLN B OE1 10240 N NE2 . GLN B 721 ? 0.9531 0.6685 0.8303 0.1046 0.0789 -0.1801 803 GLN B NE2 10241 N N . GLU B 722 ? 0.8492 0.6477 0.7754 0.0852 0.0538 -0.1851 804 GLU B N 10242 C CA . GLU B 722 ? 0.8490 0.6719 0.7911 0.0794 0.0464 -0.1837 804 GLU B CA 10243 C C . GLU B 722 ? 0.8671 0.7093 0.8226 0.0786 0.0420 -0.1768 804 GLU B C 10244 O O . GLU B 722 ? 0.8262 0.6657 0.7823 0.0789 0.0425 -0.1726 804 GLU B O 10245 C CB . GLU B 722 ? 0.7639 0.5870 0.7089 0.0736 0.0439 -0.1853 804 GLU B CB 10246 N N . ILE B 723 ? 0.8749 0.7358 0.8405 0.0779 0.0377 -0.1759 805 ILE B N 10247 C CA . ILE B 723 ? 0.8704 0.7494 0.8480 0.0772 0.0328 -0.1699 805 ILE B CA 10248 C C . ILE B 723 ? 0.8714 0.7729 0.8629 0.0723 0.0259 -0.1687 805 ILE B C 10249 O O . ILE B 723 ? 0.7991 0.7053 0.7911 0.0721 0.0250 -0.1721 805 ILE B O 10250 C CB . ILE B 723 ? 0.9311 0.8096 0.9061 0.0830 0.0348 -0.1689 805 ILE B CB 10251 C CG1 . ILE B 723 ? 1.0328 0.8938 0.9984 0.0876 0.0409 -0.1678 805 ILE B CG1 10252 C CG2 . ILE B 723 ? 0.8947 0.7951 0.8829 0.0817 0.0283 -0.1642 805 ILE B CG2 10253 C CD1 . ILE B 723 ? 1.0800 0.9443 1.0468 0.0929 0.0421 -0.1659 805 ILE B CD1 10254 N N . LEU B 724 ? 0.9119 0.8263 0.9142 0.0686 0.0213 -0.1638 806 LEU B N 10255 C CA . LEU B 724 ? 0.8284 0.7645 0.8446 0.0643 0.0150 -0.1617 806 LEU B CA 10256 C C . LEU B 724 ? 0.8617 0.8110 0.8845 0.0660 0.0112 -0.1576 806 LEU B C 10257 O O . LEU B 724 ? 0.9142 0.8660 0.9398 0.0660 0.0097 -0.1533 806 LEU B O 10258 C CB . LEU B 724 ? 0.6375 0.5798 0.6617 0.0591 0.0126 -0.1590 806 LEU B CB 10259 C CG . LEU B 724 ? 0.6353 0.5989 0.6740 0.0545 0.0068 -0.1568 806 LEU B CG 10260 C CD1 . LEU B 724 ? 0.6319 0.5991 0.6715 0.0535 0.0065 -0.1615 806 LEU B CD1 10261 C CD2 . LEU B 724 ? 0.6776 0.6456 0.7234 0.0499 0.0056 -0.1539 806 LEU B CD2 10262 N N . ILE B 725 ? 0.8006 0.7577 0.8250 0.0674 0.0096 -0.1591 807 ILE B N 10263 C CA . ILE B 725 ? 0.6965 0.6649 0.7261 0.0691 0.0063 -0.1558 807 ILE B CA 10264 C C . ILE B 725 ? 0.7548 0.7432 0.7977 0.0644 -0.0002 -0.1526 807 ILE B C 10265 O O . ILE B 725 ? 0.7881 0.7833 0.8354 0.0616 -0.0017 -0.1543 807 ILE B O 10266 C CB . ILE B 725 ? 1.1716 1.1357 1.1942 0.0741 0.0090 -0.1590 807 ILE B CB 10267 C CG1 . ILE B 725 ? 1.2663 1.2389 1.2917 0.0726 0.0072 -0.1617 807 ILE B CG1 10268 C CG2 . ILE B 725 ? 1.1595 1.1027 1.1685 0.0787 0.0162 -0.1628 807 ILE B CG2 10269 C CD1 . ILE B 725 ? 1.3065 1.2952 1.3396 0.0724 0.0027 -0.1591 807 ILE B CD1 10270 N N . PRO B 726 ? 0.7920 0.7894 0.8413 0.0635 -0.0039 -0.1481 808 PRO B N 10271 C CA . PRO B 726 ? 0.7664 0.7815 0.8279 0.0590 -0.0097 -0.1446 808 PRO B CA 10272 C C . PRO B 726 ? 0.6476 0.6733 0.7127 0.0591 -0.0121 -0.1456 808 PRO B C 10273 O O . PRO B 726 ? 0.5429 0.5653 0.6025 0.0631 -0.0105 -0.1471 808 PRO B O 10274 C CB . PRO B 726 ? 0.7569 0.7752 0.8208 0.0594 -0.0121 -0.1405 808 PRO B CB 10275 C CG . PRO B 726 ? 0.7004 0.7026 0.7546 0.0630 -0.0074 -0.1413 808 PRO B CG 10276 C CD . PRO B 726 ? 0.7411 0.7312 0.7857 0.0668 -0.0023 -0.1461 808 PRO B CD 10277 N N . THR B 727 ? 0.6306 0.6683 0.7045 0.0550 -0.0154 -0.1446 809 THR B N 10278 C CA . THR B 727 ? 0.5452 0.5933 0.6227 0.0548 -0.0179 -0.1450 809 THR B CA 10279 C C . THR B 727 ? 0.5063 0.5642 0.5893 0.0540 -0.0217 -0.1412 809 THR B C 10280 O O . THR B 727 ? 0.5029 0.5648 0.5849 0.0557 -0.0225 -0.1416 809 THR B O 10281 C CB . THR B 727 ? 0.5094 0.5669 0.5945 0.0509 -0.0200 -0.1453 809 THR B CB 10282 O OG1 . THR B 727 ? 0.4765 0.5429 0.5711 0.0467 -0.0233 -0.1411 809 THR B OG1 10283 C CG2 . THR B 727 ? 0.5481 0.5961 0.6282 0.0512 -0.0164 -0.1495 809 THR B CG2 10284 N N . HIS B 728 ? 0.4845 0.5457 0.5727 0.0514 -0.0240 -0.1376 810 HIS B N 10285 C CA . HIS B 728 ? 0.4202 0.4899 0.5133 0.0502 -0.0277 -0.1343 810 HIS B CA 10286 C C . HIS B 728 ? 0.3618 0.4267 0.4537 0.0505 -0.0277 -0.1320 810 HIS B C 10287 O O . HIS B 728 ? 0.3808 0.4362 0.4686 0.0513 -0.0250 -0.1326 810 HIS B O 10288 C CB . HIS B 728 ? 0.4037 0.4872 0.5072 0.0454 -0.0318 -0.1316 810 HIS B CB 10289 C CG . HIS B 728 ? 0.3921 0.4809 0.4970 0.0450 -0.0321 -0.1334 810 HIS B CG 10290 N ND1 . HIS B 728 ? 0.4670 0.5543 0.5719 0.0446 -0.0305 -0.1357 810 HIS B ND1 10291 C CD2 . HIS B 728 ? 0.3874 0.4829 0.4934 0.0452 -0.0337 -0.1334 810 HIS B CD2 10292 C CE1 . HIS B 728 ? 0.5260 0.6190 0.6318 0.0448 -0.0313 -0.1370 810 HIS B CE1 10293 N NE2 . HIS B 728 ? 0.4879 0.5855 0.5940 0.0452 -0.0331 -0.1355 810 HIS B NE2 10294 N N . PHE B 729 ? 0.2507 0.3218 0.3457 0.0500 -0.0308 -0.1297 811 PHE B N 10295 C CA . PHE B 729 ? 0.3411 0.4102 0.4362 0.0498 -0.0320 -0.1273 811 PHE B CA 10296 C C . PHE B 729 ? 0.3348 0.4164 0.4390 0.0454 -0.0369 -0.1241 811 PHE B C 10297 O O . PHE B 729 ? 0.3561 0.4451 0.4633 0.0447 -0.0392 -0.1240 811 PHE B O 10298 C CB . PHE B 729 ? 0.3572 0.4187 0.4449 0.0548 -0.0303 -0.1285 811 PHE B CB 10299 C CG . PHE B 729 ? 0.4657 0.5123 0.5436 0.0593 -0.0249 -0.1310 811 PHE B CG 10300 C CD1 . PHE B 729 ? 0.5524 0.5903 0.6269 0.0597 -0.0230 -0.1301 811 PHE B CD1 10301 C CD2 . PHE B 729 ? 0.4639 0.5044 0.5355 0.0633 -0.0213 -0.1343 811 PHE B CD2 10302 C CE1 . PHE B 729 ? 0.6552 0.6780 0.7201 0.0638 -0.0176 -0.1324 811 PHE B CE1 10303 C CE2 . PHE B 729 ? 0.5272 0.5529 0.5894 0.0674 -0.0159 -0.1368 811 PHE B CE2 10304 C CZ . PHE B 729 ? 0.6180 0.6346 0.6768 0.0676 -0.0140 -0.1358 811 PHE B CZ 10305 N N . PHE B 730 ? 0.3313 0.4145 0.4394 0.0426 -0.0381 -0.1215 812 PHE B N 10306 C CA . PHE B 730 ? 0.2911 0.3852 0.4074 0.0386 -0.0423 -0.1185 812 PHE B CA 10307 C C . PHE B 730 ? 0.2842 0.3758 0.3977 0.0395 -0.0436 -0.1166 812 PHE B C 10308 O O . PHE B 730 ? 0.3021 0.3853 0.4100 0.0429 -0.0421 -0.1176 812 PHE B O 10309 C CB . PHE B 730 ? 0.3591 0.4498 0.4742 0.0345 -0.0393 -0.1131 812 PHE B CB 10310 C CG . PHE B 730 ? 0.4457 0.5345 0.5631 0.0350 -0.0399 -0.1140 812 PHE B CG 10311 C CD1 . PHE B 730 ? 0.3749 0.4593 0.4875 0.0336 -0.0392 -0.1082 812 PHE B CD1 10312 C CD2 . PHE B 730 ? 0.5561 0.6369 0.6702 0.0367 -0.0367 -0.1166 812 PHE B CD2 10313 C CE1 . PHE B 730 ? 0.3858 0.4685 0.5003 0.0343 -0.0401 -0.1095 812 PHE B CE1 10314 C CE2 . PHE B 730 ? 0.6378 0.7108 0.7484 0.0369 -0.0347 -0.1154 812 PHE B CE2 10315 C CZ . PHE B 730 ? 0.5538 0.6293 0.6660 0.0360 -0.0371 -0.1124 812 PHE B CZ 10316 N N . ILE B 731 ? 0.3537 0.4424 0.4615 0.0364 -0.0414 -0.1094 813 ILE B N 10317 C CA . ILE B 731 ? 0.4038 0.4899 0.5085 0.0367 -0.0421 -0.1068 813 ILE B CA 10318 C C . ILE B 731 ? 0.4617 0.5431 0.5603 0.0316 -0.0385 -0.0972 813 ILE B C 10319 O O . ILE B 731 ? 0.3863 0.4676 0.4826 0.0293 -0.0366 -0.0939 813 ILE B O 10320 C CB . ILE B 731 ? 0.2274 0.3168 0.3330 0.0406 -0.0450 -0.1120 813 ILE B CB 10321 C CG1 . ILE B 731 ? 0.2629 0.3497 0.3650 0.0404 -0.0454 -0.1087 813 ILE B CG1 10322 C CG2 . ILE B 731 ? 0.2212 0.3134 0.3266 0.0396 -0.0438 -0.1120 813 ILE B CG2 10323 C CD1 . ILE B 731 ? 0.4215 0.5119 0.5246 0.0444 -0.0483 -0.1140 813 ILE B CD1 10324 N N . VAL B 732 ? 0.4321 0.5099 0.5283 0.0303 -0.0378 -0.0933 814 VAL B N 10325 C CA . VAL B 732 ? 0.2507 0.3243 0.3414 0.0261 -0.0348 -0.0847 814 VAL B CA 10326 C C . VAL B 732 ? 0.1722 0.2443 0.2603 0.0265 -0.0356 -0.0831 814 VAL B C 10327 O O . VAL B 732 ? 0.2417 0.3135 0.3307 0.0288 -0.0376 -0.0854 814 VAL B O 10328 C CB . VAL B 732 ? 0.1643 0.2350 0.2537 0.0239 -0.0329 -0.0809 814 VAL B CB 10329 C CG1 . VAL B 732 ? 0.0640 0.1326 0.1515 0.0239 -0.0273 -0.0718 814 VAL B CG1 10330 C CG2 . VAL B 732 ? 0.1668 0.2395 0.2595 0.0238 -0.0323 -0.0834 814 VAL B CG2 10331 N N . LEU B 733 ? 0.1512 0.2225 0.2365 0.0244 -0.0342 -0.0794 815 LEU B N 10332 C CA . LEU B 733 ? 0.1967 0.2670 0.2800 0.0245 -0.0348 -0.0779 815 LEU B CA 10333 C C . LEU B 733 ? 0.2350 0.3048 0.3209 0.0267 -0.0298 -0.0731 815 LEU B C 10334 O O . LEU B 733 ? 0.4056 0.4751 0.4914 0.0250 -0.0279 -0.0720 815 LEU B O 10335 C CB . LEU B 733 ? 0.1923 0.2651 0.2764 0.0249 -0.0353 -0.0800 815 LEU B CB 10336 C CG . LEU B 733 ? 0.1541 0.2318 0.2428 0.0289 -0.0379 -0.0879 815 LEU B CG 10337 C CD1 . LEU B 733 ? 0.2114 0.2918 0.3010 0.0292 -0.0382 -0.0900 815 LEU B CD1 10338 C CD2 . LEU B 733 ? 0.1343 0.2137 0.2256 0.0335 -0.0415 -0.0940 815 LEU B CD2 10339 N N . THR B 734 ? 0.2144 0.2825 0.2991 0.0274 -0.0307 -0.0723 816 THR B N 10340 C CA . THR B 734 ? 0.2513 0.2969 0.3161 0.0238 -0.0270 -0.0775 816 THR B CA 10341 C C . THR B 734 ? 0.2144 0.2601 0.2787 0.0249 -0.0280 -0.0781 816 THR B C 10342 O O . THR B 734 ? 0.1801 0.2259 0.2438 0.0269 -0.0300 -0.0796 816 THR B O 10343 C CB . THR B 734 ? 0.2445 0.3143 0.3396 0.0319 -0.0365 -0.0940 816 THR B CB 10344 O OG1 . THR B 734 ? 0.2549 0.3251 0.3513 0.0309 -0.0356 -0.0941 816 THR B OG1 10345 C CG2 . THR B 734 ? 0.1805 0.2225 0.2436 0.0219 -0.0253 -0.0731 816 THR B CG2 10346 N N . SER B 735 ? 0.2224 0.2883 0.3054 0.0259 -0.0292 -0.0700 817 SER B N 10347 C CA . SER B 735 ? 0.1937 0.2395 0.2581 0.0245 -0.0276 -0.0780 817 SER B CA 10348 C C . SER B 735 ? 0.2868 0.3511 0.3688 0.0252 -0.0286 -0.0687 817 SER B C 10349 O O . SER B 735 ? 0.2720 0.3152 0.3354 0.0215 -0.0247 -0.0736 817 SER B O 10350 C CB . SER B 735 ? 0.2602 0.3293 0.3454 0.0272 -0.0304 -0.0728 817 SER B CB 10351 O OG . SER B 735 ? 0.5355 0.5852 0.6017 0.0267 -0.0295 -0.0827 817 SER B OG 10352 N N . CYS B 736 ? 0.3432 0.4080 0.4256 0.0259 -0.0293 -0.0694 818 CYS B N 10353 C CA . CYS B 736 ? 0.2549 0.2986 0.3188 0.0225 -0.0258 -0.0748 818 CYS B CA 10354 C C . CYS B 736 ? 0.3557 0.4003 0.4210 0.0211 -0.0242 -0.0750 818 CYS B C 10355 O O . CYS B 736 ? 0.4303 0.5043 0.5296 0.0293 -0.0334 -0.0960 818 CYS B O 10356 C CB . CYS B 736 ? 0.1053 0.1488 0.1687 0.0240 -0.0274 -0.0758 818 CYS B CB 10357 S SG . CYS B 736 ? 0.3049 0.3466 0.3658 0.0259 -0.0294 -0.0754 818 CYS B SG 10358 N N . LYS B 737 ? 0.2387 0.2822 0.3036 0.0195 -0.0225 -0.0728 819 LYS B N 10359 C CA . LYS B 737 ? 0.1583 0.2284 0.2558 0.0247 -0.0287 -0.0906 819 LYS B CA 10360 C C . LYS B 737 ? 0.1300 0.1949 0.2154 0.0203 -0.0236 -0.0678 819 LYS B C 10361 O O . LYS B 737 ? 0.1885 0.2621 0.2908 0.0244 -0.0284 -0.0942 819 LYS B O 10362 C CB . LYS B 737 ? 0.1305 0.1729 0.1954 0.0164 -0.0193 -0.0699 819 LYS B CB 10363 C CG . LYS B 737 ? 0.3916 0.4527 0.4734 0.0164 -0.0193 -0.0632 819 LYS B CG 10364 C CD . LYS B 737 ? 0.5950 0.6600 0.6886 0.0186 -0.0221 -0.0830 819 LYS B CD 10365 C CE . LYS B 737 ? 0.6647 0.7299 0.7583 0.0171 -0.0203 -0.0824 819 LYS B CE 10366 N NZ . LYS B 737 ? 0.7472 0.7894 0.8113 0.0129 -0.0152 -0.0670 819 LYS B NZ 10367 N N . GLN B 738 ? 0.2209 0.2656 0.2879 0.0200 -0.0231 -0.0749 820 GLN B N 10368 C CA . GLN B 738 ? 0.4257 0.4716 0.4942 0.0209 -0.0242 -0.0771 820 GLN B CA 10369 C C . GLN B 738 ? 0.3831 0.4305 0.4521 0.0230 -0.0263 -0.0799 820 GLN B C 10370 O O . GLN B 738 ? 0.3807 0.4273 0.4479 0.0245 -0.0278 -0.0798 820 GLN B O 10371 C CB . GLN B 738 ? 0.5157 0.5601 0.5829 0.0211 -0.0245 -0.0759 820 GLN B CB 10372 C CG . GLN B 738 ? 0.5526 0.6188 0.6402 0.0234 -0.0272 -0.0706 820 GLN B CG 10373 C CD . GLN B 738 ? 0.7446 0.7902 0.8152 0.0194 -0.0228 -0.0769 820 GLN B CD 10374 O OE1 . GLN B 738 ? 0.8417 0.9100 0.9336 0.0211 -0.0248 -0.0719 820 GLN B OE1 10375 N NE2 . GLN B 738 ? 0.7569 0.8009 0.8261 0.0178 -0.0211 -0.0741 820 GLN B NE2 10376 N N . LEU B 739 ? 0.2885 0.3600 0.3796 0.0254 -0.0289 -0.0750 821 LEU B N 10377 C CA . LEU B 739 ? 0.2738 0.3255 0.3458 0.0253 -0.0285 -0.0856 821 LEU B CA 10378 C C . LEU B 739 ? 0.2415 0.3238 0.3481 0.0376 -0.0421 -0.1084 821 LEU B C 10379 O O . LEU B 739 ? 0.2825 0.3354 0.3535 0.0297 -0.0329 -0.0895 821 LEU B O 10380 C CB . LEU B 739 ? 0.3600 0.4460 0.4717 0.0340 -0.0382 -0.1099 821 LEU B CB 10381 C CG . LEU B 739 ? 0.4651 0.5197 0.5405 0.0233 -0.0263 -0.0874 821 LEU B CG 10382 C CD1 . LEU B 739 ? 0.4950 0.5851 0.6114 0.0313 -0.0352 -0.1123 821 LEU B CD1 10383 C CD2 . LEU B 739 ? 0.4624 0.5393 0.5569 0.0264 -0.0295 -0.0789 821 LEU B CD2 10384 N N . SER B 740 ? 0.1715 0.2445 0.2629 0.0298 -0.0335 -0.0780 822 SER B N 10385 C CA . SER B 740 ? 0.2647 0.3453 0.3694 0.0403 -0.0450 -0.1086 822 SER B CA 10386 C C . SER B 740 ? 0.4839 0.5322 0.5503 0.0309 -0.0343 -0.0859 822 SER B C 10387 O O . SER B 740 ? 0.6408 0.7181 0.7389 0.0453 -0.0499 -0.1081 822 SER B O 10388 C CB . SER B 740 ? 0.2379 0.2877 0.3083 0.0288 -0.0324 -0.0869 822 SER B CB 10389 O OG . SER B 740 ? 0.3362 0.4178 0.4455 0.0366 -0.0415 -0.1086 822 SER B OG 10390 N N . GLU B 741 ? 0.4254 0.4937 0.5104 0.0321 -0.0359 -0.0752 823 GLU B N 10391 C CA . GLU B 741 ? 0.3883 0.4541 0.4700 0.0331 -0.0368 -0.0735 823 GLU B CA 10392 C C . GLU B 741 ? 0.4821 0.5548 0.5755 0.0427 -0.0472 -0.1022 823 GLU B C 10393 O O . GLU B 741 ? 0.5380 0.6059 0.6213 0.0331 -0.0366 -0.0749 823 GLU B O 10394 C CB . GLU B 741 ? 0.3532 0.4219 0.4453 0.0383 -0.0432 -0.0968 823 GLU B CB 10395 C CG . GLU B 741 ? 0.4347 0.5024 0.5267 0.0371 -0.0421 -0.0955 823 GLU B CG 10396 C CD . GLU B 741 ? 0.5765 0.6415 0.6670 0.0340 -0.0391 -0.0914 823 GLU B CD 10397 O OE1 . GLU B 741 ? 0.6189 0.6589 0.6797 0.0237 -0.0274 -0.0725 823 GLU B OE1 10398 O OE2 . GLU B 741 ? 0.5949 0.6530 0.6718 0.0268 -0.0309 -0.0654 823 GLU B OE2 10399 N N . THR B 742 ? 0.4141 0.4578 0.4733 0.0334 -0.0366 -0.0826 824 THR B N 10400 C CA . THR B 742 ? 0.4395 0.4833 0.4979 0.0344 -0.0376 -0.0833 824 THR B CA 10401 C C . THR B 742 ? 0.4852 0.5481 0.5622 0.0356 -0.0392 -0.0723 824 THR B C 10402 O O . THR B 742 ? 0.5345 0.5952 0.6102 0.0342 -0.0380 -0.0702 824 THR B O 10403 C CB . THR B 742 ? 0.4661 0.5310 0.5421 0.0412 -0.0444 -0.0761 824 THR B CB 10404 O OG1 . THR B 742 ? 0.5532 0.5936 0.6059 0.0382 -0.0411 -0.0828 824 THR B OG1 10405 C CG2 . THR B 742 ? 0.4986 0.5437 0.5547 0.0398 -0.0423 -0.0880 824 THR B CG2 10406 N N . PRO B 743 ? 0.5214 0.5904 0.6097 0.0445 -0.0490 -0.1000 825 PRO B N 10407 C CA . PRO B 743 ? 0.4594 0.5005 0.5173 0.0310 -0.0345 -0.0785 825 PRO B CA 10408 C C . PRO B 743 ? 0.4740 0.5374 0.5584 0.0428 -0.0478 -0.0949 825 PRO B C 10409 O O . PRO B 743 ? 0.4884 0.5503 0.5728 0.0406 -0.0458 -0.0925 825 PRO B O 10410 C CB . PRO B 743 ? 0.4523 0.5209 0.5408 0.0438 -0.0484 -0.0994 825 PRO B CB 10411 C CG . PRO B 743 ? 0.5096 0.5542 0.5693 0.0329 -0.0361 -0.0827 825 PRO B CG 10412 C CD . PRO B 743 ? 0.5492 0.6215 0.6393 0.0463 -0.0505 -0.1034 825 PRO B CD 10413 N N . LEU B 744 ? 0.4457 0.4834 0.4991 0.0335 -0.0371 -0.0773 826 LEU B N 10414 C CA . LEU B 744 ? 0.5191 0.5778 0.5971 0.0464 -0.0515 -0.0934 826 LEU B CA 10415 C C . LEU B 744 ? 0.6166 0.6738 0.6939 0.0447 -0.0499 -0.0912 826 LEU B C 10416 O O . LEU B 744 ? 0.6284 0.6794 0.6939 0.0360 -0.0402 -0.0645 826 LEU B O 10417 C CB . LEU B 744 ? 0.2884 0.3415 0.3504 0.0379 -0.0483 -0.0726 826 LEU B CB 10418 C CG . LEU B 744 ? 0.3133 0.3682 0.3770 0.0421 -0.0515 -0.0784 826 LEU B CG 10419 C CD1 . LEU B 744 ? 0.3266 0.3805 0.3871 0.0485 -0.0567 -0.0832 826 LEU B CD1 10420 C CD2 . LEU B 744 ? 0.4103 0.4648 0.4762 0.0423 -0.0513 -0.0800 826 LEU B CD2 10421 N N . GLU B 745 ? 0.5754 0.6112 0.6280 0.0315 -0.0352 -0.0740 827 GLU B N 10422 C CA . GLU B 745 ? 0.5949 0.6301 0.6474 0.0304 -0.0342 -0.0726 827 GLU B CA 10423 C C . GLU B 745 ? 0.5347 0.5710 0.5897 0.0278 -0.0316 -0.0717 827 GLU B C 10424 O O . GLU B 745 ? 0.5360 0.5962 0.6197 0.0373 -0.0425 -0.0890 827 GLU B O 10425 C CB . GLU B 745 ? 0.6253 0.6802 0.6945 0.0356 -0.0396 -0.0668 827 GLU B CB 10426 C CG . GLU B 745 ? 0.7793 0.8420 0.8612 0.0458 -0.0506 -0.0959 827 GLU B CG 10427 C CD . GLU B 745 ? 0.9546 1.0180 1.0353 0.0495 -0.0540 -0.0988 827 GLU B CD 10428 O OE1 . GLU B 745 ? 0.9633 1.0252 1.0373 0.0404 -0.0439 -0.0740 827 GLU B OE1 10429 O OE2 . GLU B 745 ? 0.9935 1.0542 1.0702 0.0515 -0.0559 -0.0978 827 GLU B OE2 10430 N N . CYS B 746 ? 0.4423 0.4977 0.5152 0.0287 -0.0329 -0.0640 828 CYS B N 10431 C CA . CYS B 746 ? 0.3555 0.3929 0.4133 0.0241 -0.0278 -0.0700 828 CYS B CA 10432 C C . CYS B 746 ? 0.3453 0.3814 0.4024 0.0224 -0.0262 -0.0675 828 CYS B C 10433 O O . CYS B 746 ? 0.4257 0.4603 0.4815 0.0222 -0.0260 -0.0659 828 CYS B O 10434 C CB . CYS B 746 ? 0.1906 0.2286 0.2493 0.0232 -0.0268 -0.0699 828 CYS B CB 10435 S SG . CYS B 746 ? 0.6408 0.7000 0.7179 0.0272 -0.0311 -0.0660 828 CYS B SG 10436 N N . SER B 747 ? 0.3464 0.4010 0.4204 0.0233 -0.0273 -0.0609 829 SER B N 10437 C CA . SER B 747 ? 0.2486 0.3015 0.3214 0.0215 -0.0254 -0.0589 829 SER B CA 10438 C C . SER B 747 ? 0.2251 0.2606 0.2830 0.0179 -0.0214 -0.0636 829 SER B C 10439 O O . SER B 747 ? 0.1589 0.1932 0.2160 0.0168 -0.0202 -0.0616 829 SER B O 10440 C CB . SER B 747 ? 0.2260 0.2621 0.2844 0.0195 -0.0231 -0.0655 829 SER B CB 10441 O OG . SER B 747 ? 0.2949 0.3538 0.3808 0.0290 -0.0341 -0.0832 829 SER B OG 10442 N N . ALA B 748 ? 0.1924 0.2293 0.2517 0.0178 -0.0211 -0.0649 830 ALA B N 10443 C CA . ALA B 748 ? 0.1454 0.1824 0.2050 0.0165 -0.0197 -0.0641 830 ALA B CA 10444 C C . ALA B 748 ? 0.1994 0.2609 0.2885 0.0237 -0.0280 -0.0822 830 ALA B C 10445 O O . ALA B 748 ? 0.3033 0.3609 0.3808 0.0204 -0.0239 -0.0619 830 ALA B O 10446 C CB . ALA B 748 ? 0.1370 0.1968 0.2253 0.0207 -0.0248 -0.0792 830 ALA B CB 10447 N N . LEU B 749 ? 0.1857 0.2416 0.2618 0.0182 -0.0216 -0.0596 831 LEU B N 10448 C CA . LEU B 749 ? 0.2447 0.2844 0.3062 0.0176 -0.0206 -0.0674 831 LEU B CA 10449 C C . LEU B 749 ? 0.3255 0.3912 0.4178 0.0234 -0.0273 -0.0854 831 LEU B C 10450 O O . LEU B 749 ? 0.2621 0.3031 0.3246 0.0159 -0.0186 -0.0675 831 LEU B O 10451 C CB . LEU B 749 ? 0.1210 0.1779 0.1980 0.0189 -0.0223 -0.0607 831 LEU B CB 10452 C CG . LEU B 749 ? 0.1934 0.2542 0.2824 0.0245 -0.0290 -0.0823 831 LEU B CG 10453 C CD1 . LEU B 749 ? 0.1971 0.2347 0.2580 0.0177 -0.0210 -0.0660 831 LEU B CD1 10454 C CD2 . LEU B 749 ? 0.0679 0.1060 0.1281 0.0199 -0.0234 -0.0678 831 LEU B CD2 10455 N N . GLU B 750 ? 0.3568 0.4183 0.4372 0.0199 -0.0231 -0.0643 832 GLU B N 10456 C CA . GLU B 750 ? 0.3531 0.3976 0.4177 0.0181 -0.0208 -0.0721 832 GLU B CA 10457 C C . GLU B 750 ? 0.4330 0.4785 0.4980 0.0188 -0.0215 -0.0735 832 GLU B C 10458 O O . GLU B 750 ? 0.5440 0.6104 0.6276 0.0222 -0.0252 -0.0687 832 GLU B O 10459 C CB . GLU B 750 ? 0.4826 0.5285 0.5483 0.0189 -0.0216 -0.0741 832 GLU B CB 10460 C CG . GLU B 750 ? 0.7240 0.7992 0.8232 0.0251 -0.0285 -0.0940 832 GLU B CG 10461 C CD . GLU B 750 ? 0.9473 1.0214 1.0461 0.0228 -0.0261 -0.0921 832 GLU B CD 10462 O OE1 . GLU B 750 ? 1.0783 1.1265 1.1458 0.0161 -0.0183 -0.0745 832 GLU B OE1 10463 O OE2 . GLU B 750 ? 0.9059 0.9707 0.9895 0.0175 -0.0202 -0.0659 832 GLU B OE2 10464 N N . SER B 751 ? 0.4074 0.4788 0.5033 0.0245 -0.0280 -0.0904 833 SER B N 10465 C CA . SER B 751 ? 0.3826 0.4555 0.4795 0.0254 -0.0289 -0.0921 833 SER B CA 10466 C C . SER B 751 ? 0.4342 0.5022 0.5186 0.0204 -0.0230 -0.0688 833 SER B C 10467 O O . SER B 751 ? 0.4298 0.5058 0.5277 0.0242 -0.0272 -0.0934 833 SER B O 10468 C CB . SER B 751 ? 0.3653 0.4294 0.4476 0.0194 -0.0223 -0.0659 833 SER B CB 10469 O OG . SER B 751 ? 0.4796 0.5485 0.5748 0.0246 -0.0285 -0.0890 833 SER B OG 10470 N N . SER B 752 ? 0.5096 0.5593 0.5766 0.0200 -0.0223 -0.0777 834 SER B N 10471 C CA . SER B 752 ? 0.4605 0.5124 0.5283 0.0203 -0.0224 -0.0795 834 SER B CA 10472 C C . SER B 752 ? 0.4339 0.4868 0.5024 0.0214 -0.0236 -0.0813 834 SER B C 10473 O O . SER B 752 ? 0.3682 0.4428 0.4570 0.0250 -0.0275 -0.0752 834 SER B O 10474 C CB . SER B 752 ? 0.3159 0.3904 0.4039 0.0228 -0.0250 -0.0738 834 SER B CB 10475 O OG . SER B 752 ? 0.4760 0.5512 0.5646 0.0245 -0.0268 -0.0752 834 SER B OG 10476 N N . ALA B 753 ? 0.3842 0.4587 0.4727 0.0228 -0.0251 -0.0741 835 ALA B N 10477 C CA . ALA B 753 ? 0.3704 0.4249 0.4403 0.0219 -0.0240 -0.0833 835 ALA B CA 10478 C C . ALA B 753 ? 0.3808 0.4591 0.4698 0.0217 -0.0305 -0.0823 835 ALA B C 10479 O O . ALA B 753 ? 0.2816 0.3598 0.3687 0.0203 -0.0293 -0.0802 835 ALA B O 10480 C CB . ALA B 753 ? 0.3408 0.3942 0.4111 0.0209 -0.0231 -0.0821 835 ALA B CB 10481 N N . TYR B 754 ? 0.4313 0.5138 0.5253 0.0253 -0.0329 -0.0898 836 TYR B N 10482 C CA . TYR B 754 ? 0.3298 0.4175 0.4274 0.0280 -0.0344 -0.0963 836 TYR B CA 10483 C C . TYR B 754 ? 0.3065 0.3975 0.4090 0.0305 -0.0360 -0.1024 836 TYR B C 10484 O O . TYR B 754 ? 0.3160 0.4066 0.4208 0.0319 -0.0372 -0.1048 836 TYR B O 10485 C CB . TYR B 754 ? 0.2599 0.3510 0.3596 0.0311 -0.0367 -0.1015 836 TYR B CB 10486 C CG . TYR B 754 ? 0.2572 0.3456 0.3532 0.0289 -0.0355 -0.0966 836 TYR B CG 10487 C CD1 . TYR B 754 ? 0.2659 0.3512 0.3600 0.0282 -0.0356 -0.0937 836 TYR B CD1 10488 C CD2 . TYR B 754 ? 0.2674 0.3568 0.3623 0.0276 -0.0344 -0.0956 836 TYR B CD2 10489 C CE1 . TYR B 754 ? 0.3588 0.4421 0.4501 0.0263 -0.0346 -0.0899 836 TYR B CE1 10490 C CE2 . TYR B 754 ? 0.3245 0.4117 0.4168 0.0256 -0.0333 -0.0919 836 TYR B CE2 10491 C CZ . TYR B 754 ? 0.3827 0.4669 0.4733 0.0249 -0.0334 -0.0890 836 TYR B CZ 10492 O OH . TYR B 754 ? 0.4640 0.5463 0.5525 0.0230 -0.0324 -0.0858 836 TYR B OH 10493 N N . ILE B 755 ? 0.3232 0.4177 0.4276 0.0313 -0.0360 -0.1056 837 ILE B N 10494 C CA . ILE B 755 ? 0.2212 0.3199 0.3311 0.0341 -0.0378 -0.1129 837 ILE B CA 10495 C C . ILE B 755 ? 0.2299 0.3352 0.3434 0.0383 -0.0404 -0.1211 837 ILE B C 10496 O O . ILE B 755 ? 0.2196 0.3275 0.3326 0.0382 -0.0399 -0.1218 837 ILE B O 10497 C CB . ILE B 755 ? 0.2213 0.3191 0.3310 0.0317 -0.0358 -0.1103 837 ILE B CB 10498 C CG1 . ILE B 755 ? 0.1641 0.2558 0.2698 0.0279 -0.0334 -0.1022 837 ILE B CG1 10499 C CG2 . ILE B 755 ? 0.0948 0.1975 0.2112 0.0346 -0.0377 -0.1188 837 ILE B CG2 10500 C CD1 . ILE B 755 ? 0.1529 0.2438 0.2585 0.0259 -0.0316 -0.1000 837 ILE B CD1 10501 N N . LEU B 756 ? 0.2172 0.3207 0.3297 0.0424 -0.0413 -0.1255 838 LEU B N 10502 C CA . LEU B 756 ? 0.3632 0.4617 0.4687 0.0468 -0.0386 -0.1283 838 LEU B CA 10503 C C . LEU B 756 ? 0.4721 0.5626 0.5714 0.0500 -0.0346 -0.1312 838 LEU B C 10504 O O . LEU B 756 ? 0.5683 0.6513 0.6647 0.0511 -0.0327 -0.1317 838 LEU B O 10505 C CB . LEU B 756 ? 0.3002 0.3934 0.4012 0.0500 -0.0379 -0.1287 838 LEU B CB 10506 C CG . LEU B 756 ? 0.2978 0.3977 0.4037 0.0475 -0.0416 -0.1268 838 LEU B CG 10507 C CD1 . LEU B 756 ? 0.3402 0.4497 0.4517 0.0437 -0.0439 -0.1260 838 LEU B CD1 10508 C CD2 . LEU B 756 ? 0.3529 0.4538 0.4627 0.0449 -0.0439 -0.1243 838 LEU B CD2 10509 N N . PRO B 757 ? 0.4510 0.5422 0.5475 0.0516 -0.0332 -0.1332 839 PRO B N 10510 C CA . PRO B 757 ? 0.4378 0.5214 0.5278 0.0548 -0.0294 -0.1366 839 PRO B CA 10511 C C . PRO B 757 ? 0.3335 0.4049 0.4143 0.0601 -0.0251 -0.1389 839 PRO B C 10512 O O . PRO B 757 ? 0.3391 0.4093 0.4170 0.0630 -0.0242 -0.1390 839 PRO B O 10513 C CB . PRO B 757 ? 0.5020 0.5901 0.5909 0.0556 -0.0292 -0.1378 839 PRO B CB 10514 C CG . PRO B 757 ? 0.4416 0.5356 0.5331 0.0546 -0.0312 -0.1358 839 PRO B CG 10515 C CD . PRO B 757 ? 0.3947 0.4935 0.4936 0.0505 -0.0349 -0.1326 839 PRO B CD 10516 N N . HIS B 758 ? 0.3329 0.3949 0.4091 0.0615 -0.0221 -0.1409 840 HIS B N 10517 C CA . HIS B 758 ? 0.4573 0.5060 0.5241 0.0667 -0.0174 -0.1432 840 HIS B CA 10518 C C . HIS B 758 ? 0.4583 0.5006 0.5172 0.0707 -0.0132 -0.1473 840 HIS B C 10519 O O . HIS B 758 ? 0.3129 0.3497 0.3684 0.0707 -0.0111 -0.1500 840 HIS B O 10520 C CB . HIS B 758 ? 0.5006 0.5405 0.5653 0.0660 -0.0157 -0.1434 840 HIS B CB 10521 C CG . HIS B 758 ? 0.5374 0.5636 0.5931 0.0710 -0.0112 -0.1447 840 HIS B CG 10522 N ND1 . HIS B 758 ? 0.5526 0.5658 0.6020 0.0722 -0.0072 -0.1465 840 HIS B ND1 10523 C CD2 . HIS B 758 ? 0.5241 0.5471 0.5760 0.0753 -0.0096 -0.1446 840 HIS B CD2 10524 C CE1 . HIS B 758 ? 0.5095 0.5117 0.5513 0.0771 -0.0033 -0.1473 840 HIS B CE1 10525 N NE2 . HIS B 758 ? 0.4981 0.5065 0.5416 0.0793 -0.0047 -0.1461 840 HIS B NE2 10526 N N . ARG B 759 ? 0.5601 0.6031 0.6158 0.0742 -0.0117 -0.1478 841 ARG B N 10527 C CA . ARG B 759 ? 0.6774 0.7152 0.7255 0.0783 -0.0076 -0.1515 841 ARG B CA 10528 C C . ARG B 759 ? 0.7308 0.7558 0.7695 0.0847 -0.0017 -0.1538 841 ARG B C 10529 O O . ARG B 759 ? 0.8045 0.8285 0.8437 0.0865 -0.0015 -0.1520 841 ARG B O 10530 C CB . ARG B 759 ? 0.7981 0.8460 0.8491 0.0780 -0.0093 -0.1506 841 ARG B CB 10531 C CG . ARG B 759 ? 0.7984 0.8581 0.8574 0.0726 -0.0142 -0.1488 841 ARG B CG 10532 C CD . ARG B 759 ? 0.9002 0.9578 0.9564 0.0725 -0.0131 -0.1517 841 ARG B CD 10533 N NE . ARG B 759 ? 1.0092 1.0770 1.0694 0.0703 -0.0157 -0.1509 841 ARG B NE 10534 C CZ . ARG B 759 ? 1.0558 1.1250 1.1119 0.0731 -0.0140 -0.1517 841 ARG B CZ 10535 N NH1 . ARG B 759 ? 1.0901 1.1519 1.1387 0.0782 -0.0095 -0.1534 841 ARG B NH1 10536 N NH2 . ARG B 759 ? 1.0233 1.1011 1.0826 0.0711 -0.0164 -0.1507 841 ARG B NH2 10537 N N . PRO B 760 ? 0.6571 0.6720 0.6870 0.0882 0.0032 -0.1580 842 PRO B N 10538 C CA . PRO B 760 ? 0.5453 0.5470 0.5656 0.0946 0.0098 -0.1606 842 PRO B CA 10539 C C . PRO B 760 ? 0.5799 0.5854 0.5994 0.0988 0.0117 -0.1601 842 PRO B C 10540 O O . PRO B 760 ? 0.6665 0.6640 0.6808 0.1042 0.0166 -0.1611 842 PRO B O 10541 C CB . PRO B 760 ? 0.6004 0.5926 0.6125 0.0961 0.0139 -0.1655 842 PRO B CB 10542 C CG . PRO B 760 ? 0.6687 0.6670 0.6863 0.0902 0.0093 -0.1652 842 PRO B CG 10543 C CD . PRO B 760 ? 0.6604 0.6750 0.6890 0.0860 0.0030 -0.1607 842 PRO B CD 10544 N N . ASP B 761 ? 0.6343 0.6519 0.6590 0.0963 0.0083 -0.1587 843 ASP B N 10545 C CA . ASP B 761 ? 0.7006 0.7227 0.7250 0.0996 0.0101 -0.1580 843 ASP B CA 10546 C C . ASP B 761 ? 0.6393 0.6758 0.6732 0.0948 0.0042 -0.1543 843 ASP B C 10547 O O . ASP B 761 ? 0.5625 0.6056 0.6030 0.0890 -0.0011 -0.1524 843 ASP B O 10548 C CB . ASP B 761 ? 0.7961 0.8144 0.8130 0.1035 0.0149 -0.1616 843 ASP B CB 10549 C CG . ASP B 761 ? 0.9103 0.9316 0.9274 0.0997 0.0122 -0.1630 843 ASP B CG 10550 O OD1 . ASP B 761 ? 0.8419 0.8735 0.8673 0.0941 0.0062 -0.1602 843 ASP B OD1 10551 O OD2 . ASP B 761 ? 0.9914 1.0046 1.0003 0.1025 0.0163 -0.1671 843 ASP B OD2 10552 N N . ASN B 762 ? 0.6085 0.6493 0.6429 0.0973 0.0058 -0.1535 844 ASN B N 10553 C CA . ASN B 762 ? 0.5792 0.6321 0.6215 0.0929 0.0011 -0.1504 844 ASN B CA 10554 C C . ASN B 762 ? 0.5414 0.5990 0.5822 0.0933 0.0025 -0.1509 844 ASN B C 10555 O O . ASN B 762 ? 0.5826 0.6456 0.6256 0.0939 0.0032 -0.1495 844 ASN B O 10556 C CB . ASN B 762 ? 0.6368 0.6920 0.6823 0.0943 0.0011 -0.1487 844 ASN B CB 10557 C CG . ASN B 762 ? 0.7294 0.7821 0.7776 0.0927 -0.0017 -0.1475 844 ASN B CG 10558 O OD1 . ASN B 762 ? 0.7722 0.8231 0.8214 0.0895 -0.0043 -0.1473 844 ASN B OD1 10559 N ND2 . ASN B 762 ? 0.7718 0.8244 0.8211 0.0953 -0.0010 -0.1467 844 ASN B ND2 10560 N N . ILE B 763 ? 0.4301 0.4855 0.4669 0.0933 0.0033 -0.1529 845 ILE B N 10561 C CA . ILE B 763 ? 0.4891 0.5481 0.5233 0.0941 0.0048 -0.1535 845 ILE B CA 10562 C C . ILE B 763 ? 0.5760 0.6463 0.6182 0.0882 -0.0007 -0.1503 845 ILE B C 10563 O O . ILE B 763 ? 0.6682 0.7428 0.7099 0.0886 0.0006 -0.1495 845 ILE B O 10564 C CB . ILE B 763 ? 0.4713 0.5249 0.4988 0.0956 0.0067 -0.1570 845 ILE B CB 10565 C CG1 . ILE B 763 ? 0.5761 0.6171 0.5959 0.1004 0.0117 -0.1605 845 ILE B CG1 10566 C CG2 . ILE B 763 ? 0.3652 0.4209 0.3879 0.0982 0.0097 -0.1581 845 ILE B CG2 10567 N N . GLU B 764 ? 0.5464 0.6207 0.5957 0.0827 -0.0062 -0.1485 846 GLU B N 10568 C CA . GLU B 764 ? 0.5298 0.6141 0.5870 0.0768 -0.0114 -0.1455 846 GLU B CA 10569 C C . GLU B 764 ? 0.5130 0.6020 0.5738 0.0758 -0.0117 -0.1433 846 GLU B C 10570 O O . GLU B 764 ? 0.4114 0.5068 0.4754 0.0728 -0.0133 -0.1415 846 GLU B O 10571 C CB . GLU B 764 ? 0.5573 0.6444 0.6216 0.0717 -0.0164 -0.1440 846 GLU B CB 10572 C CG . GLU B 764 ? 0.5548 0.6517 0.6276 0.0655 -0.0216 -0.1408 846 GLU B CG 10573 C CD . GLU B 764 ? 0.5614 0.6610 0.6414 0.0610 -0.0258 -0.1391 846 GLU B CD 10574 O OE1 . GLU B 764 ? 0.6458 0.7391 0.7238 0.0627 -0.0247 -0.1403 846 GLU B OE1 10575 O OE2 . GLU B 764 ? 0.5505 0.6578 0.6378 0.0560 -0.0297 -0.1365 846 GLU B OE2 10576 N N . SER B 765 ? 0.5464 0.6319 0.6065 0.0784 -0.0099 -0.1435 847 SER B N 10577 C CA . SER B 765 ? 0.5576 0.6477 0.6220 0.0772 -0.0105 -0.1418 847 SER B CA 10578 C C . SER B 765 ? 0.5830 0.6720 0.6429 0.0820 -0.0047 -0.1426 847 SER B C 10579 O O . SER B 765 ? 0.6251 0.7188 0.6885 0.0805 -0.0048 -0.1413 847 SER B O 10580 C CB . SER B 765 ? 0.5138 0.6016 0.5804 0.0777 -0.0118 -0.1416 847 SER B CB 10581 O OG . SER B 765 ? 0.4786 0.5673 0.5494 0.0734 -0.0165 -0.1406 847 SER B OG 10582 N N . CYS B 766 ? 0.5718 0.6543 0.6238 0.0878 0.0006 -0.1449 848 CYS B N 10583 C CA . CYS B 766 ? 0.5956 0.6760 0.6427 0.0936 0.0074 -0.1458 848 CYS B CA 10584 C C . CYS B 766 ? 0.7106 0.7915 0.7607 0.0959 0.0092 -0.1452 848 CYS B C 10585 O O . CYS B 766 ? 0.6720 0.7578 0.7252 0.0955 0.0106 -0.1439 848 CYS B O 10586 C CB . CYS B 766 ? 0.4865 0.5722 0.5339 0.0920 0.0082 -0.1445 848 CYS B CB 10587 S SG . CYS B 766 ? 0.9966 1.0823 1.0398 0.0906 0.0069 -0.1453 848 CYS B SG 10588 N N . THR B 767 ? 0.8777 0.9534 0.9268 0.0983 0.0094 -0.1462 849 THR B N 10589 C CA . THR B 767 ? 1.0483 1.1253 1.1009 0.1005 0.0105 -0.1456 849 THR B CA 10590 C C . THR B 767 ? 1.2311 1.3078 1.2816 0.1069 0.0180 -0.1461 849 THR B C 10591 O O . THR B 767 ? 1.2736 1.3552 1.3292 0.1071 0.0185 -0.1450 849 THR B O 10592 C CB . THR B 767 ? 1.0958 1.1661 1.1467 0.1030 0.0102 -0.1465 849 THR B CB 10593 O OG1 . THR B 767 ? 1.0426 1.1128 1.0953 0.0975 0.0042 -0.1460 849 THR B OG1 10594 C CG2 . THR B 767 ? 1.2358 1.3085 1.2911 0.1045 0.0099 -0.1457 849 THR B CG2 10595 N N . HIS B 768 ? 1.3326 1.4037 1.3759 0.1122 0.0242 -0.1478 850 HIS B N 10596 C CA . HIS B 768 ? 1.3219 1.3928 1.3636 0.1188 0.0322 -0.1482 850 HIS B CA 10597 C C . HIS B 768 ? 1.1855 1.2646 1.2321 0.1165 0.0328 -0.1461 850 HIS B C 10598 O O . HIS B 768 ? 1.1774 1.2583 1.2220 0.1140 0.0326 -0.1456 850 HIS B O 10599 C CB . HIS B 768 ? 1.4236 1.4873 1.4565 0.1239 0.0384 -0.1506 850 HIS B CB 10600 C CG . HIS B 768 ? 1.5302 1.5928 1.5593 0.1198 0.0346 -0.1514 850 HIS B CG 10601 N ND1 . HIS B 768 ? 1.5523 1.6092 1.5785 0.1181 0.0312 -0.1531 850 HIS B ND1 10602 C CD2 . HIS B 768 ? 1.5640 1.6306 1.5921 0.1171 0.0339 -0.1508 850 HIS B CD2 10603 C CE1 . HIS B 768 ? 1.5597 1.6179 1.5838 0.1146 0.0284 -0.1535 850 HIS B CE1 10604 N NE2 . HIS B 768 ? 1.5675 1.6315 1.5925 0.1141 0.0298 -0.1521 850 HIS B NE2 10605 N N . GLY B 769 ? 1.1074 1.1913 1.1601 0.1175 0.0341 -0.1448 851 GLY B N 10606 C CA . GLY B 769 ? 1.1703 1.2614 1.2278 0.1149 0.0349 -0.1429 851 GLY B CA 10607 C C . GLY B 769 ? 1.2501 1.3476 1.3156 0.1083 0.0283 -0.1416 851 GLY B C 10608 O O . GLY B 769 ? 1.2610 1.3641 1.3315 0.1069 0.0299 -0.1403 851 GLY B O 10609 N N . LYS B 770 ? 1.2674 1.3638 1.3341 0.1043 0.0213 -0.1421 852 LYS B N 10610 C CA . LYS B 770 ? 1.1330 1.2350 1.2070 0.0979 0.0146 -0.1413 852 LYS B CA 10611 C C . LYS B 770 ? 1.0309 1.1326 1.1077 0.0994 0.0123 -0.1420 852 LYS B C 10612 O O . LYS B 770 ? 0.9829 1.0796 1.0562 0.1057 0.0159 -0.1429 852 LYS B O 10613 C CB . LYS B 770 ? 1.0644 1.1671 1.1390 0.0903 0.0075 -0.1407 852 LYS B CB 10614 N N . ARG B 771 ? 1.0032 1.1100 1.0864 0.0936 0.0065 -0.1416 853 ARG B N 10615 C CA . ARG B 771 ? 0.9444 1.0517 1.0305 0.0941 0.0033 -0.1423 853 ARG B CA 10616 C C . ARG B 771 ? 0.8664 0.9709 0.9515 0.0898 -0.0034 -0.1421 853 ARG B C 10617 O O . ARG B 771 ? 0.7976 0.9034 0.8834 0.0837 -0.0074 -0.1413 853 ARG B O 10618 C CB . ARG B 771 ? 0.8251 0.9395 0.9187 0.0906 0.0011 -0.1424 853 ARG B CB 10619 N N . GLU B 772 ? 0.8458 0.9466 0.9294 0.0934 -0.0039 -0.1426 854 GLU B N 10620 C CA . GLU B 772 ? 0.8640 0.9609 0.9459 0.0908 -0.0087 -0.1422 854 GLU B CA 10621 C C . GLU B 772 ? 0.8763 0.9791 0.9643 0.0824 -0.0162 -0.1413 854 GLU B C 10622 O O . GLU B 772 ? 0.8446 0.9467 0.9328 0.0779 -0.0201 -0.1403 854 GLU B O 10623 C CB . GLU B 772 ? 0.9165 1.0079 0.9956 0.0968 -0.0071 -0.1427 854 GLU B CB 10624 C CG . GLU B 772 ? 0.9046 0.9904 0.9811 0.0951 -0.0106 -0.1421 854 GLU B CG 10625 C CD . GLU B 772 ? 1.0088 1.0879 1.0817 0.1016 -0.0081 -0.1425 854 GLU B CD 10626 O OE1 . GLU B 772 ? 1.0018 1.0741 1.0710 0.1017 -0.0090 -0.1421 854 GLU B OE1 10627 O OE2 . GLU B 772 ? 1.0808 1.1612 1.1546 0.1070 -0.0049 -0.1431 854 GLU B OE2 10628 N N . SER B 773 ? 0.9074 1.0159 1.0006 0.0804 -0.0179 -0.1418 855 SER B N 10629 C CA . SER B 773 ? 0.8338 0.9476 0.9327 0.0727 -0.0247 -0.1415 855 SER B CA 10630 C C . SER B 773 ? 0.8145 0.9317 0.9160 0.0663 -0.0263 -0.1404 855 SER B C 10631 O O . SER B 773 ? 0.8608 0.9817 0.9669 0.0596 -0.0316 -0.1397 855 SER B O 10632 C CB . SER B 773 ? 0.7281 0.8467 0.8318 0.0726 -0.0256 -0.1429 855 SER B CB 10633 O OG . SER B 773 ? 0.7529 0.8746 0.8584 0.0737 -0.0210 -0.1436 855 SER B OG 10634 N N . SER B 774 ? 0.7841 0.8999 0.8824 0.0687 -0.0213 -0.1403 856 SER B N 10635 C CA . SER B 774 ? 0.7875 0.9060 0.8873 0.0636 -0.0221 -0.1392 856 SER B CA 10636 C C . SER B 774 ? 0.6998 0.8158 0.7968 0.0622 -0.0235 -0.1379 856 SER B C 10637 O O . SER B 774 ? 0.6641 0.7833 0.7651 0.0561 -0.0281 -0.1366 856 SER B O 10638 C CB . SER B 774 ? 0.9222 1.0410 1.0202 0.0668 -0.0157 -0.1395 856 SER B CB 10639 O OG . SER B 774 ? 1.0804 1.1942 1.1720 0.0742 -0.0101 -0.1399 856 SER B OG 10640 N N . TRP B 775 ? 0.6744 0.7848 0.7651 0.0680 -0.0194 -0.1385 857 TRP B N 10641 C CA . TRP B 775 ? 0.5833 0.6912 0.6710 0.0672 -0.0200 -0.1378 857 TRP B CA 10642 C C . TRP B 775 ? 0.5511 0.6583 0.6410 0.0642 -0.0248 -0.1370 857 TRP B C 10643 O O . TRP B 775 ? 0.5877 0.6959 0.6787 0.0611 -0.0270 -0.1359 857 TRP B O 10644 C CB . TRP B 775 ? 0.5685 0.6701 0.6485 0.0743 -0.0139 -0.1392 857 TRP B CB 10645 C CG . TRP B 775 ? 0.5432 0.6385 0.6195 0.0800 -0.0115 -0.1404 857 TRP B CG 10646 C CD1 . TRP B 775 ? 0.5883 0.6818 0.6630 0.0857 -0.0071 -0.1414 857 TRP B CD1 10647 C CD2 . TRP B 775 ? 0.4928 0.5825 0.5665 0.0809 -0.0127 -0.1407 857 TRP B CD2 10648 N NE1 . TRP B 775 ? 0.5305 0.6172 0.6014 0.0902 -0.0056 -0.1422 857 TRP B NE1 10649 C CE2 . TRP B 775 ? 0.4367 0.5204 0.5066 0.0873 -0.0089 -0.1419 857 TRP B CE2 10650 C CE3 . TRP B 775 ? 0.4914 0.5803 0.5659 0.0771 -0.0161 -0.1400 857 TRP B CE3 10651 C CZ2 . TRP B 775 ? 0.4561 0.5322 0.5222 0.0899 -0.0083 -0.1424 857 TRP B CZ2 10652 C CZ3 . TRP B 775 ? 0.4677 0.5494 0.5388 0.0795 -0.0155 -0.1407 857 TRP B CZ3 10653 C CH2 . TRP B 775 ? 0.5148 0.5897 0.5814 0.0858 -0.0116 -0.1419 857 TRP B CH2 10654 N N . VAL B 776 ? 0.5893 0.6950 0.6801 0.0656 -0.0262 -0.1373 858 VAL B N 10655 C CA . VAL B 776 ? 0.5303 0.6347 0.6227 0.0634 -0.0301 -0.1362 858 VAL B CA 10656 C C . VAL B 776 ? 0.5574 0.6690 0.6573 0.0559 -0.0356 -0.1343 858 VAL B C 10657 O O . VAL B 776 ? 0.5723 0.6847 0.6743 0.0528 -0.0379 -0.1328 858 VAL B O 10658 C CB . VAL B 776 ? 0.4012 0.5017 0.4919 0.0673 -0.0299 -0.1369 858 VAL B CB 10659 C CG1 . VAL B 776 ? 0.2856 0.3848 0.3781 0.0647 -0.0337 -0.1354 858 VAL B CG1 10660 C CG2 . VAL B 776 ? 0.4540 0.5464 0.5372 0.0752 -0.0238 -0.1385 858 VAL B CG2 10661 N N . GLU B 777 ? 0.5163 0.6329 0.6205 0.0531 -0.0374 -0.1345 859 GLU B N 10662 C CA . GLU B 777 ? 0.5921 0.7152 0.7035 0.0460 -0.0422 -0.1329 859 GLU B CA 10663 C C . GLU B 777 ? 0.6045 0.7280 0.7157 0.0426 -0.0410 -0.1304 859 GLU B C 10664 O O . GLU B 777 ? 0.7131 0.8296 0.8206 0.0381 -0.0387 -0.1224 859 GLU B O 10665 C CB . GLU B 777 ? 0.6623 0.7876 0.7760 0.0439 -0.0423 -0.1332 859 GLU B CB 10666 C CG . GLU B 777 ? 0.8000 0.9257 0.9147 0.0465 -0.0445 -0.1355 859 GLU B CG 10667 C CD . GLU B 777 ? 0.8663 0.9902 0.9810 0.0433 -0.0430 -0.1327 859 GLU B CD 10668 O OE1 . GLU B 777 ? 0.9371 1.0656 1.0547 0.0467 -0.0451 -0.1380 859 GLU B OE1 10669 O OE2 . GLU B 777 ? 0.8404 0.9585 0.9522 0.0379 -0.0398 -0.1254 859 GLU B OE2 10670 N N . GLU B 778 ? 0.4793 0.6029 0.5875 0.0456 -0.0378 -0.1325 860 GLU B N 10671 C CA . GLU B 778 ? 0.4308 0.5561 0.5389 0.0435 -0.0373 -0.1314 860 GLU B CA 10672 C C . GLU B 778 ? 0.3895 0.5131 0.4965 0.0440 -0.0381 -0.1306 860 GLU B C 10673 O O . GLU B 778 ? 0.4440 0.5688 0.5520 0.0409 -0.0385 -0.1282 860 GLU B O 10674 C CB . GLU B 778 ? 0.5374 0.6604 0.6401 0.0475 -0.0320 -0.1327 860 GLU B CB 10675 C CG . GLU B 778 ? 0.7734 0.8984 0.8779 0.0464 -0.0305 -0.1332 860 GLU B CG 10676 C CD . GLU B 778 ? 0.9813 1.1040 1.0804 0.0506 -0.0245 -0.1339 860 GLU B CD 10677 O OE1 . GLU B 778 ? 0.9959 1.1199 1.0963 0.0504 -0.0221 -0.1343 860 GLU B OE1 10678 O OE2 . GLU B 778 ? 1.0703 1.1899 1.1639 0.0544 -0.0218 -0.1341 860 GLU B OE2 10679 N N . LEU B 779 ? 0.3242 0.4426 0.4275 0.0482 -0.0368 -0.1317 861 LEU B N 10680 C CA . LEU B 779 ? 0.2976 0.4134 0.3997 0.0488 -0.0370 -0.1313 861 LEU B CA 10681 C C . LEU B 779 ? 0.4527 0.5721 0.5615 0.0442 -0.0414 -0.1291 861 LEU B C 10682 O O . LEU B 779 ? 0.4282 0.5458 0.5367 0.0419 -0.0409 -0.1261 861 LEU B O 10683 C CB . LEU B 779 ? 0.1731 0.2805 0.2682 0.0550 -0.0334 -0.1334 861 LEU B CB 10684 C CG . LEU B 779 ? 0.2568 0.3599 0.3497 0.0560 -0.0326 -0.1338 861 LEU B CG 10685 C CD1 . LEU B 779 ? 0.2638 0.3685 0.3551 0.0558 -0.0314 -0.1344 861 LEU B CD1 10686 C CD2 . LEU B 779 ? 0.3159 0.4092 0.4015 0.0619 -0.0287 -0.1359 861 LEU B CD2 10687 N N . LEU B 780 ? 0.4535 0.5713 0.5628 0.0432 -0.0421 -0.1274 862 LEU B N 10688 C CA . LEU B 780 ? 0.3249 0.4350 0.4310 0.0392 -0.0404 -0.1196 862 LEU B CA 10689 C C . LEU B 780 ? 0.2990 0.4037 0.4009 0.0339 -0.0369 -0.1112 862 LEU B C 10690 O O . LEU B 780 ? 0.3979 0.4983 0.4975 0.0313 -0.0355 -0.1061 862 LEU B O 10691 C CB . LEU B 780 ? 0.4131 0.5217 0.5190 0.0395 -0.0412 -0.1190 862 LEU B CB 10692 C CG . LEU B 780 ? 0.4898 0.5990 0.5974 0.0432 -0.0441 -0.1229 862 LEU B CG 10693 C CD1 . LEU B 780 ? 0.6058 0.7098 0.7118 0.0410 -0.0431 -0.1181 862 LEU B CD1 10694 C CD2 . LEU B 780 ? 0.5304 0.6398 0.6368 0.0496 -0.0439 -0.1294 862 LEU B CD2 10695 N N . THR B 781 ? 0.2305 0.3360 0.3317 0.0325 -0.0357 -0.1103 863 THR B N 10696 C CA . THR B 781 ? 0.2430 0.3435 0.3402 0.0280 -0.0328 -0.1029 863 THR B CA 10697 C C . THR B 781 ? 0.3590 0.4599 0.4552 0.0276 -0.0321 -0.1022 863 THR B C 10698 O O . THR B 781 ? 0.3893 0.4850 0.4818 0.0242 -0.0301 -0.0954 863 THR B O 10699 C CB . THR B 781 ? 0.1901 0.2924 0.2879 0.0272 -0.0320 -0.1039 863 THR B CB 10700 O OG1 . THR B 781 ? 0.2664 0.3677 0.3648 0.0272 -0.0325 -0.1038 863 THR B OG1 10701 C CG2 . THR B 781 ? 0.0794 0.1769 0.1734 0.0232 -0.0294 -0.0973 863 THR B CG2 10702 N N . LEU B 782 ? 0.3483 0.4560 0.4480 0.0314 -0.0340 -0.1097 864 LEU B N 10703 C CA . LEU B 782 ? 0.3225 0.4317 0.4216 0.0316 -0.0337 -0.1102 864 LEU B CA 10704 C C . LEU B 782 ? 0.3101 0.4161 0.4086 0.0308 -0.0336 -0.1075 864 LEU B C 10705 O O . LEU B 782 ? 0.3133 0.4170 0.4096 0.0289 -0.0323 -0.1038 864 LEU B O 10706 C CB . LEU B 782 ? 0.3791 0.4974 0.4821 0.0367 -0.0361 -0.1197 864 LEU B CB 10707 C CG . LEU B 782 ? 0.4037 0.5250 0.5063 0.0378 -0.0363 -0.1216 864 LEU B CG 10708 C CD1 . LEU B 782 ? 0.4817 0.6004 0.5809 0.0346 -0.0340 -0.1163 864 LEU B CD1 10709 C CD2 . LEU B 782 ? 0.4032 0.5295 0.5056 0.0437 -0.0370 -0.1294 864 LEU B CD2 10710 N N . HIS B 783 ? 0.1759 0.2818 0.2765 0.0324 -0.0350 -0.1098 865 HIS B N 10711 C CA . HIS B 783 ? 0.2653 0.3691 0.3664 0.0319 -0.0350 -0.1086 865 HIS B CA 10712 C C . HIS B 783 ? 0.3675 0.4644 0.4654 0.0285 -0.0333 -0.1010 865 HIS B C 10713 O O . HIS B 783 ? 0.2615 0.3571 0.3606 0.0289 -0.0339 -0.1015 865 HIS B O 10714 C CB . HIS B 783 ? 0.3518 0.4610 0.4582 0.0367 -0.0381 -0.1174 865 HIS B CB 10715 C CG . HIS B 783 ? 0.4562 0.5725 0.5656 0.0403 -0.0398 -0.1248 865 HIS B CG 10716 N ND1 . HIS B 783 ? 0.3890 0.5067 0.4997 0.0405 -0.0399 -0.1263 865 HIS B ND1 10717 C CD2 . HIS B 783 ? 0.5377 0.6561 0.6453 0.0441 -0.0397 -0.1295 865 HIS B CD2 10718 C CE1 . HIS B 783 ? 0.4552 0.5734 0.5627 0.0443 -0.0389 -0.1307 865 HIS B CE1 10719 N NE2 . HIS B 783 ? 0.5233 0.6393 0.6267 0.0465 -0.0375 -0.1314 865 HIS B NE2 10720 N N . ARG B 784 ? 0.3874 0.4800 0.4812 0.0254 -0.0314 -0.0947 866 ARG B N 10721 C CA . ARG B 784 ? 0.4183 0.5046 0.5082 0.0221 -0.0297 -0.0872 866 ARG B CA 10722 C C . ARG B 784 ? 0.4087 0.4923 0.4967 0.0203 -0.0283 -0.0833 866 ARG B C 10723 O O . ARG B 784 ? 0.5096 0.5951 0.5978 0.0204 -0.0281 -0.0843 866 ARG B O 10724 C CB . ARG B 784 ? 0.0702 0.1532 0.1564 0.0195 -0.0281 -0.0821 866 ARG B CB 10725 N N . ALA B 785 ? 0.2705 0.3309 0.3401 0.0210 -0.0222 -0.0857 867 ALA B N 10726 C CA . ALA B 785 ? 0.2605 0.3414 0.3507 0.0219 -0.0233 -0.0769 867 ALA B CA 10727 C C . ALA B 785 ? 0.3354 0.3918 0.4043 0.0189 -0.0204 -0.0816 867 ALA B C 10728 O O . ALA B 785 ? 0.4650 0.5201 0.5337 0.0190 -0.0206 -0.0809 867 ALA B O 10729 C CB . ALA B 785 ? 0.1946 0.2762 0.2846 0.0197 -0.0277 -0.0823 867 ALA B CB 10730 N N . ARG B 786 ? 0.2642 0.3196 0.3326 0.0178 -0.0194 -0.0801 868 ARG B N 10731 C CA . ARG B 786 ? 0.3012 0.3831 0.4018 0.0229 -0.0252 -0.0968 868 ARG B CA 10732 C C . ARG B 786 ? 0.3292 0.3812 0.3982 0.0172 -0.0192 -0.0781 868 ARG B C 10733 O O . ARG B 786 ? 0.2920 0.3664 0.3819 0.0197 -0.0219 -0.0732 868 ARG B O 10734 C CB . ARG B 786 ? 0.3289 0.4009 0.4145 0.0172 -0.0190 -0.0697 868 ARG B CB 10735 C CG . ARG B 786 ? 0.3980 0.4512 0.4640 0.0155 -0.0169 -0.0761 868 ARG B CG 10736 C CD . ARG B 786 ? 0.3812 0.4337 0.4465 0.0147 -0.0160 -0.0749 868 ARG B CD 10737 N NE . ARG B 786 ? 0.3909 0.4735 0.4903 0.0204 -0.0222 -0.0953 868 ARG B NE 10738 C CZ . ARG B 786 ? 0.3456 0.4183 0.4310 0.0156 -0.0171 -0.0693 868 ARG B CZ 10739 N NH1 . ARG B 786 ? 0.4768 0.5475 0.5599 0.0147 -0.0161 -0.0673 868 ARG B NH1 10740 N NH2 . ARG B 786 ? 0.1852 0.2392 0.2540 0.0145 -0.0159 -0.0776 868 ARG B NH2 10741 N N . VAL B 787 ? 0.3133 0.3631 0.3815 0.0167 -0.0188 -0.0762 869 VAL B N 10742 C CA . VAL B 787 ? 0.2541 0.3311 0.3564 0.0232 -0.0264 -0.0952 869 VAL B CA 10743 C C . VAL B 787 ? 0.2226 0.2716 0.2931 0.0163 -0.0187 -0.0766 869 VAL B C 10744 O O . VAL B 787 ? 0.2993 0.3487 0.3716 0.0167 -0.0193 -0.0780 869 VAL B O 10745 C CB . VAL B 787 ? 0.2554 0.3217 0.3411 0.0181 -0.0209 -0.0676 869 VAL B CB 10746 C CG1 . VAL B 787 ? 0.2873 0.3332 0.3563 0.0170 -0.0199 -0.0745 869 VAL B CG1 10747 C CG2 . VAL B 787 ? 0.2557 0.3295 0.3548 0.0235 -0.0269 -0.0925 869 VAL B CG2 10748 N N . THR B 788 ? 0.1543 0.2032 0.2239 0.0153 -0.0176 -0.0755 870 THR B N 10749 C CA . THR B 788 ? 0.2245 0.3019 0.3287 0.0201 -0.0231 -0.0948 870 THR B CA 10750 C C . THR B 788 ? 0.3837 0.4356 0.4566 0.0156 -0.0177 -0.0791 870 THR B C 10751 O O . THR B 788 ? 0.4204 0.4942 0.5147 0.0168 -0.0193 -0.0735 870 THR B O 10752 C CB . THR B 788 ? 0.2216 0.2704 0.2908 0.0138 -0.0158 -0.0744 870 THR B CB 10753 O OG1 . THR B 788 ? 0.2913 0.3644 0.3906 0.0178 -0.0206 -0.0893 870 THR B OG1 10754 C CG2 . THR B 788 ? 0.1865 0.2361 0.2572 0.0133 -0.0153 -0.0752 870 THR B CG2 10755 N N . ASP B 789 ? 0.3225 0.3760 0.3948 0.0164 -0.0185 -0.0803 871 ASP B N 10756 C CA . ASP B 789 ? 0.3135 0.3698 0.3876 0.0175 -0.0194 -0.0835 871 ASP B CA 10757 C C . ASP B 789 ? 0.3757 0.4545 0.4721 0.0175 -0.0253 -0.0820 871 ASP B C 10758 O O . ASP B 789 ? 0.3245 0.4072 0.4266 0.0190 -0.0262 -0.0883 871 ASP B O 10759 C CB . ASP B 789 ? 0.1488 0.2385 0.2572 0.0250 -0.0273 -0.1051 871 ASP B CB 10760 C CG . ASP B 789 ? 0.1821 0.2402 0.2532 0.0177 -0.0191 -0.0831 871 ASP B CG 10761 O OD1 . ASP B 789 ? 0.2750 0.3533 0.3657 0.0183 -0.0199 -0.0747 871 ASP B OD1 10762 O OD2 . ASP B 789 ? 0.2413 0.3325 0.3459 0.0248 -0.0264 -0.1039 871 ASP B OD2 10763 N N . VAL B 790 ? 0.3620 0.4392 0.4575 0.0180 -0.0260 -0.0815 872 VAL B N 10764 C CA . VAL B 790 ? 0.2617 0.3413 0.3629 0.0205 -0.0279 -0.0881 872 VAL B CA 10765 C C . VAL B 790 ? 0.2864 0.3654 0.3905 0.0197 -0.0270 -0.0888 872 VAL B C 10766 O O . VAL B 790 ? 0.4204 0.5028 0.5315 0.0216 -0.0282 -0.0961 872 VAL B O 10767 C CB . VAL B 790 ? 0.2750 0.3527 0.3741 0.0213 -0.0289 -0.0868 872 VAL B CB 10768 C CG1 . VAL B 790 ? 0.2095 0.2894 0.3146 0.0243 -0.0313 -0.0939 872 VAL B CG1 10769 C CG2 . VAL B 790 ? 0.3294 0.4083 0.4267 0.0220 -0.0297 -0.0870 872 VAL B CG2 10770 N N . GLU B 791 ? 0.2063 0.2811 0.3053 0.0170 -0.0249 -0.0817 873 GLU B N 10771 C CA . GLU B 791 ? 0.1817 0.2557 0.2829 0.0161 -0.0237 -0.0819 873 GLU B CA 10772 C C . GLU B 791 ? 0.2801 0.3575 0.3861 0.0161 -0.0233 -0.0861 873 GLU B C 10773 O O . GLU B 791 ? 0.2780 0.3577 0.3907 0.0167 -0.0234 -0.0917 873 GLU B O 10774 C CB . GLU B 791 ? 0.1831 0.2523 0.2774 0.0134 -0.0217 -0.0734 873 GLU B CB 10775 C CG . GLU B 791 ? 0.1530 0.2207 0.2465 0.0166 -0.0199 -0.0703 873 GLU B CG 10776 C CD . GLU B 791 ? 0.2936 0.3385 0.3671 0.0140 -0.0170 -0.0743 873 GLU B CD 10777 O OE1 . GLU B 791 ? 0.2866 0.3515 0.3770 0.0143 -0.0173 -0.0670 873 GLU B OE1 10778 O OE2 . GLU B 791 ? 0.4783 0.5416 0.5684 0.0154 -0.0188 -0.0666 873 GLU B OE2 10779 N N . LEU B 792 ? 0.4050 0.4828 0.5081 0.0154 -0.0228 -0.0837 874 LEU B N 10780 C CA . LEU B 792 ? 0.3864 0.4675 0.4934 0.0154 -0.0224 -0.0872 874 LEU B CA 10781 C C . LEU B 792 ? 0.4057 0.4927 0.5213 0.0180 -0.0243 -0.0973 874 LEU B C 10782 O O . LEU B 792 ? 0.3950 0.4853 0.5167 0.0182 -0.0240 -0.1027 874 LEU B O 10783 C CB . LEU B 792 ? 0.2755 0.3559 0.3773 0.0145 -0.0218 -0.0827 874 LEU B CB 10784 C CG . LEU B 792 ? 0.2098 0.2897 0.3112 0.0156 -0.0179 -0.0785 874 LEU B CG 10785 C CD1 . LEU B 792 ? 0.3540 0.4306 0.4544 0.0143 -0.0167 -0.0762 874 LEU B CD1 10786 C CD2 . LEU B 792 ? 0.1274 0.2071 0.2257 0.0158 -0.0178 -0.0773 874 LEU B CD2 10787 N N . ILE B 793 ? 0.3512 0.4395 0.4675 0.0202 -0.0262 -0.1003 875 ILE B N 10788 C CA . ILE B 793 ? 0.3204 0.4146 0.4444 0.0232 -0.0285 -0.1102 875 ILE B CA 10789 C C . ILE B 793 ? 0.3171 0.4124 0.4479 0.0249 -0.0298 -0.1165 875 ILE B C 10790 O O . ILE B 793 ? 0.3616 0.4570 0.4953 0.0274 -0.0300 -0.1239 875 ILE B O 10791 C CB . ILE B 793 ? 0.2838 0.3796 0.4054 0.0252 -0.0303 -0.1111 875 ILE B CB 10792 C CG1 . ILE B 793 ? 0.2599 0.3627 0.3884 0.0283 -0.0323 -0.1208 875 ILE B CG1 10793 C CG2 . ILE B 793 ? 0.0859 0.1799 0.2060 0.0266 -0.0316 -0.1106 875 ILE B CG2 10794 C CD1 . ILE B 793 ? 0.3290 0.4341 0.4551 0.0304 -0.0339 -0.1221 875 ILE B CD1 10795 N N . THR B 794 ? 0.3032 0.3942 0.4312 0.0238 -0.0291 -0.1120 876 THR B N 10796 C CA . THR B 794 ? 0.2904 0.3812 0.4238 0.0255 -0.0302 -0.1175 876 THR B CA 10797 C C . THR B 794 ? 0.2340 0.3221 0.3691 0.0232 -0.0277 -0.1163 876 THR B C 10798 O O . THR B 794 ? 0.2001 0.2761 0.3280 0.0244 -0.0242 -0.1173 876 THR B O 10799 C CB . THR B 794 ? 0.3286 0.4172 0.4583 0.0271 -0.0322 -0.1153 876 THR B CB 10800 O OG1 . THR B 794 ? 0.0819 0.1657 0.2035 0.0243 -0.0302 -0.1056 876 THR B OG1 10801 C CG2 . THR B 794 ? 0.3072 0.3972 0.4343 0.0296 -0.0340 -0.1168 876 THR B CG2 10802 N N . GLY B 795 ? 0.2998 0.3866 0.4308 0.0202 -0.0256 -0.1094 877 GLY B N 10803 C CA . GLY B 795 ? 0.3330 0.4180 0.4656 0.0179 -0.0233 -0.1080 877 GLY B CA 10804 C C . GLY B 795 ? 0.4189 0.5002 0.5492 0.0180 -0.0236 -0.1051 877 GLY B C 10805 O O . GLY B 795 ? 0.4520 0.5332 0.5878 0.0175 -0.0226 -0.1083 877 GLY B O 10806 N N . LEU B 796 ? 0.4697 0.5483 0.5923 0.0185 -0.0247 -0.0995 878 LEU B N 10807 C CA . LEU B 796 ? 0.3919 0.4672 0.5114 0.0189 -0.0253 -0.0967 878 LEU B CA 10808 C C . LEU B 796 ? 0.3839 0.4549 0.4937 0.0165 -0.0235 -0.0868 878 LEU B C 10809 O O . LEU B 796 ? 0.4036 0.4740 0.5086 0.0152 -0.0225 -0.0824 878 LEU B O 10810 C CB . LEU B 796 ? 0.3158 0.3920 0.4360 0.0221 -0.0286 -0.1002 878 LEU B CB 10811 C CG . LEU B 796 ? 0.2103 0.2856 0.3343 0.0253 -0.0292 -0.1084 878 LEU B CG 10812 C CD1 . LEU B 796 ? 0.1595 0.2305 0.2772 0.0289 -0.0308 -0.1090 878 LEU B CD1 10813 C CD2 . LEU B 796 ? 0.2702 0.3331 0.3877 0.0256 -0.0246 -0.1086 878 LEU B CD2 10814 N N . SER B 797 ? 0.4234 0.4915 0.5307 0.0160 -0.0232 -0.0840 879 SER B N 10815 C CA . SER B 797 ? 0.3368 0.4010 0.4356 0.0139 -0.0216 -0.0754 879 SER B CA 10816 C C . SER B 797 ? 0.2144 0.2767 0.3098 0.0150 -0.0230 -0.0735 879 SER B C 10817 O O . SER B 797 ? 0.2967 0.3590 0.3953 0.0165 -0.0243 -0.0770 879 SER B O 10818 C CB . SER B 797 ? 0.3000 0.3627 0.3985 0.0118 -0.0193 -0.0730 879 SER B CB 10819 O OG . SER B 797 ? 0.4073 0.4478 0.4829 0.0116 -0.0148 -0.0710 879 SER B OG 10820 N N . PHE B 798 ? 0.2016 0.2622 0.2909 0.0143 -0.0229 -0.0684 880 PHE B N 10821 C CA . PHE B 798 ? 0.2619 0.3210 0.3481 0.0152 -0.0242 -0.0670 880 PHE B CA 10822 C C . PHE B 798 ? 0.2654 0.3231 0.3501 0.0169 -0.0210 -0.0627 880 PHE B C 10823 O O . PHE B 798 ? 0.3572 0.3956 0.4254 0.0142 -0.0177 -0.0676 880 PHE B O 10824 C CB . PHE B 798 ? 0.1703 0.2119 0.2403 0.0174 -0.0211 -0.0728 880 PHE B CB 10825 C CG . PHE B 798 ? 0.2047 0.2686 0.2952 0.0182 -0.0271 -0.0738 880 PHE B CG 10826 C CD1 . PHE B 798 ? 0.2702 0.3361 0.3655 0.0216 -0.0300 -0.0806 880 PHE B CD1 10827 C CD2 . PHE B 798 ? 0.2931 0.3586 0.3843 0.0174 -0.0262 -0.0741 880 PHE B CD2 10828 C CE1 . PHE B 798 ? 0.2686 0.3382 0.3696 0.0241 -0.0320 -0.0876 880 PHE B CE1 10829 C CE2 . PHE B 798 ? 0.3270 0.3965 0.4239 0.0198 -0.0280 -0.0810 880 PHE B CE2 10830 C CZ . PHE B 798 ? 0.2729 0.3444 0.3748 0.0231 -0.0309 -0.0879 880 PHE B CZ 10831 N N . TYR B 799 ? 0.1607 0.1984 0.2275 0.0165 -0.0204 -0.0682 881 TYR B N 10832 C CA . TYR B 799 ? 0.1961 0.2506 0.2763 0.0176 -0.0217 -0.0601 881 TYR B CA 10833 C C . TYR B 799 ? 0.3022 0.3551 0.3819 0.0161 -0.0202 -0.0585 881 TYR B C 10834 O O . TYR B 799 ? 0.4361 0.4705 0.4992 0.0139 -0.0175 -0.0625 881 TYR B O 10835 C CB . TYR B 799 ? 0.1317 0.1686 0.1955 0.0156 -0.0192 -0.0656 881 TYR B CB 10836 C CG . TYR B 799 ? 0.1457 0.2023 0.2257 0.0183 -0.0221 -0.0613 881 TYR B CG 10837 C CD1 . TYR B 799 ? 0.2631 0.3018 0.3272 0.0184 -0.0221 -0.0689 881 TYR B CD1 10838 C CD2 . TYR B 799 ? 0.2278 0.2912 0.3221 0.0221 -0.0265 -0.0844 881 TYR B CD2 10839 C CE1 . TYR B 799 ? 0.3064 0.3465 0.3708 0.0195 -0.0231 -0.0707 881 TYR B CE1 10840 C CE2 . TYR B 799 ? 0.2037 0.2446 0.2684 0.0172 -0.0203 -0.0695 881 TYR B CE2 10841 C CZ . TYR B 799 ? 0.2724 0.3137 0.3372 0.0187 -0.0221 -0.0710 881 TYR B CZ 10842 O OH . TYR B 799 ? 0.0711 0.1141 0.1364 0.0197 -0.0230 -0.0729 881 TYR B OH 10843 N N . GLN B 800 ? 0.1976 0.2327 0.2639 0.0144 -0.0183 -0.0648 882 GLN B N 10844 C CA . GLN B 800 ? 0.2030 0.2549 0.2844 0.0142 -0.0182 -0.0577 882 GLN B CA 10845 C C . GLN B 800 ? 0.2948 0.3275 0.3594 0.0132 -0.0171 -0.0616 882 GLN B C 10846 O O . GLN B 800 ? 0.2425 0.2913 0.3205 0.0132 -0.0172 -0.0546 882 GLN B O 10847 C CB . GLN B 800 ? 0.2003 0.2527 0.2847 0.0114 -0.0194 -0.0610 882 GLN B CB 10848 C CG . GLN B 800 ? 0.2276 0.2814 0.3132 0.0102 -0.0181 -0.0610 882 GLN B CG 10849 C CD . GLN B 800 ? 0.3871 0.4423 0.4782 0.0094 -0.0166 -0.0643 882 GLN B CD 10850 O OE1 . GLN B 800 ? 0.4048 0.4596 0.4986 0.0092 -0.0160 -0.0660 882 GLN B OE1 10851 N NE2 . GLN B 800 ? 0.5131 0.5701 0.6063 0.0087 -0.0159 -0.0654 882 GLN B NE2 10852 N N . ASP B 801 ? 0.2876 0.3365 0.3641 0.0139 -0.0226 -0.0574 883 ASP B N 10853 C CA . ASP B 801 ? 0.3481 0.3955 0.4228 0.0149 -0.0235 -0.0570 883 ASP B CA 10854 C C . ASP B 801 ? 0.3208 0.3516 0.3800 0.0160 -0.0203 -0.0600 883 ASP B C 10855 O O . ASP B 801 ? 0.3004 0.3500 0.3841 0.0229 -0.0288 -0.0737 883 ASP B O 10856 C CB . ASP B 801 ? 0.4648 0.5131 0.5433 0.0187 -0.0272 -0.0634 883 ASP B CB 10857 C CG . ASP B 801 ? 0.5863 0.6358 0.6715 0.0196 -0.0276 -0.0689 883 ASP B CG 10858 O OD1 . ASP B 801 ? 0.5143 0.5632 0.6007 0.0178 -0.0254 -0.0680 883 ASP B OD1 10859 O OD2 . ASP B 801 ? 0.7217 0.7728 0.8117 0.0221 -0.0299 -0.0746 883 ASP B OD2 10860 N N . ARG B 802 ? 0.3615 0.3933 0.4211 0.0156 -0.0196 -0.0604 884 ARG B N 10861 C CA . ARG B 802 ? 0.3029 0.3348 0.3612 0.0158 -0.0197 -0.0600 884 ARG B CA 10862 C C . ARG B 802 ? 0.3003 0.3312 0.3575 0.0146 -0.0183 -0.0580 884 ARG B C 10863 O O . ARG B 802 ? 0.2839 0.3303 0.3550 0.0145 -0.0183 -0.0518 884 ARG B O 10864 C CB . ARG B 802 ? 0.2315 0.2815 0.3052 0.0170 -0.0210 -0.0555 884 ARG B CB 10865 C CG . ARG B 802 ? 0.2366 0.2869 0.3095 0.0174 -0.0213 -0.0557 884 ARG B CG 10866 C CD . ARG B 802 ? 0.2185 0.2520 0.2762 0.0177 -0.0215 -0.0623 884 ARG B CD 10867 N NE . ARG B 802 ? 0.2868 0.3376 0.3589 0.0195 -0.0235 -0.0567 884 ARG B NE 10868 C CZ . ARG B 802 ? 0.3679 0.4019 0.4246 0.0193 -0.0231 -0.0634 884 ARG B CZ 10869 N NH1 . ARG B 802 ? 0.5312 0.5818 0.6021 0.0229 -0.0272 -0.0581 884 ARG B NH1 10870 N NH2 . ARG B 802 ? 0.3454 0.3799 0.4023 0.0193 -0.0230 -0.0638 884 ARG B NH2 10871 N N . GLN B 803 ? 0.3156 0.3462 0.3715 0.0152 -0.0188 -0.0576 885 GLN B N 10872 C CA . GLN B 803 ? 0.2864 0.3315 0.3543 0.0156 -0.0194 -0.0507 885 GLN B CA 10873 C C . GLN B 803 ? 0.3844 0.4142 0.4394 0.0127 -0.0159 -0.0547 885 GLN B C 10874 O O . GLN B 803 ? 0.4287 0.4577 0.4831 0.0117 -0.0148 -0.0532 885 GLN B O 10875 C CB . GLN B 803 ? 0.4059 0.4353 0.4594 0.0153 -0.0190 -0.0560 885 GLN B CB 10876 C CG . GLN B 803 ? 0.4494 0.4800 0.5036 0.0156 -0.0191 -0.0571 885 GLN B CG 10877 C CD . GLN B 803 ? 0.4281 0.4741 0.4950 0.0176 -0.0215 -0.0519 885 GLN B CD 10878 O OE1 . GLN B 803 ? 0.4361 0.4657 0.4886 0.0158 -0.0194 -0.0559 885 GLN B OE1 10879 N NE2 . GLN B 803 ? 0.4496 0.4811 0.5038 0.0170 -0.0206 -0.0588 885 GLN B NE2 10880 N N . GLU B 804 ? 0.4513 0.5014 0.5325 0.0171 -0.0214 -0.0692 886 GLU B N 10881 C CA . GLU B 804 ? 0.3289 0.3597 0.3847 0.0113 -0.0141 -0.0547 886 GLU B CA 10882 C C . GLU B 804 ? 0.3962 0.4268 0.4525 0.0103 -0.0130 -0.0541 886 GLU B C 10883 O O . GLU B 804 ? 0.4832 0.5139 0.5404 0.0105 -0.0133 -0.0548 886 GLU B O 10884 C CB . GLU B 804 ? 0.2781 0.3100 0.3345 0.0115 -0.0143 -0.0559 886 GLU B CB 10885 C CG . GLU B 804 ? 0.4694 0.5217 0.5515 0.0165 -0.0203 -0.0704 886 GLU B CG 10886 C CD . GLU B 804 ? 0.5759 0.6090 0.6327 0.0136 -0.0166 -0.0582 886 GLU B CD 10887 O OE1 . GLU B 804 ? 0.4748 0.5076 0.5317 0.0142 -0.0174 -0.0586 886 GLU B OE1 10888 O OE2 . GLU B 804 ? 0.6166 0.6505 0.6739 0.0141 -0.0172 -0.0594 886 GLU B OE2 10889 N N . SER B 805 ? 0.3336 0.3784 0.4018 0.0101 -0.0128 -0.0483 887 SER B N 10890 C CA . SER B 805 ? 0.3369 0.3669 0.3931 0.0083 -0.0106 -0.0525 887 SER B CA 10891 C C . SER B 805 ? 0.3660 0.3971 0.4235 0.0084 -0.0107 -0.0540 887 SER B C 10892 O O . SER B 805 ? 0.3079 0.3399 0.3657 0.0091 -0.0114 -0.0551 887 SER B O 10893 C CB . SER B 805 ? 0.4194 0.4487 0.4746 0.0073 -0.0094 -0.0510 887 SER B CB 10894 O OG . SER B 805 ? 0.4980 0.5278 0.5529 0.0073 -0.0093 -0.0511 887 SER B OG 10895 N N . VAL B 806 ? 0.3182 0.3496 0.3768 0.0078 -0.0100 -0.0543 888 VAL B N 10896 C CA . VAL B 806 ? 0.1717 0.2044 0.2318 0.0079 -0.0101 -0.0560 888 VAL B CA 10897 C C . VAL B 806 ? 0.2438 0.2926 0.3164 0.0086 -0.0109 -0.0513 888 VAL B C 10898 O O . VAL B 806 ? 0.2739 0.3292 0.3611 0.0116 -0.0145 -0.0719 888 VAL B O 10899 C CB . VAL B 806 ? 0.0861 0.1190 0.1477 0.0071 -0.0091 -0.0565 888 VAL B CB 10900 C CG1 . VAL B 806 ? 0.0520 0.0865 0.1153 0.0073 -0.0093 -0.0585 888 VAL B CG1 10901 C CG2 . VAL B 806 ? 0.1103 0.1426 0.1729 0.0070 -0.0091 -0.0566 888 VAL B CG2 10902 N N . SER B 807 ? 0.3101 0.3426 0.3681 0.0073 -0.0092 -0.0546 889 SER B N 10903 C CA . SER B 807 ? 0.1916 0.2395 0.2618 0.0079 -0.0098 -0.0499 889 SER B CA 10904 C C . SER B 807 ? 0.2159 0.2493 0.2729 0.0078 -0.0097 -0.0549 889 SER B C 10905 O O . SER B 807 ? 0.2822 0.3166 0.3394 0.0081 -0.0099 -0.0558 889 SER B O 10906 C CB . SER B 807 ? 0.2662 0.2981 0.3222 0.0064 -0.0081 -0.0528 889 SER B CB 10907 O OG . SER B 807 ? 0.4431 0.4898 0.5109 0.0069 -0.0086 -0.0482 889 SER B OG 10908 N N . GLU B 808 ? 0.2176 0.2652 0.2870 0.0089 -0.0110 -0.0497 890 GLU B N 10909 C CA . GLU B 808 ? 0.2668 0.2999 0.3233 0.0088 -0.0108 -0.0550 890 GLU B CA 10910 C C . GLU B 808 ? 0.2756 0.3256 0.3469 0.0105 -0.0129 -0.0521 890 GLU B C 10911 O O . GLU B 808 ? 0.1502 0.2014 0.2222 0.0109 -0.0133 -0.0530 890 GLU B O 10912 C CB . GLU B 808 ? 0.4230 0.4553 0.4790 0.0090 -0.0112 -0.0543 890 GLU B CB 10913 C CG . GLU B 808 ? 0.7477 0.7933 0.8150 0.0090 -0.0113 -0.0480 890 GLU B CG 10914 C CD . GLU B 808 ? 0.9173 0.9478 0.9718 0.0087 -0.0109 -0.0521 890 GLU B CD 10915 O OE1 . GLU B 808 ? 0.9483 0.9778 1.0021 0.0083 -0.0105 -0.0510 890 GLU B OE1 10916 O OE2 . GLU B 808 ? 0.9263 0.9719 0.9937 0.0103 -0.0128 -0.0485 890 GLU B OE2 10917 N N . LEU B 809 ? 0.3039 0.3541 0.3762 0.0108 -0.0133 -0.0526 891 LEU B N 10918 C CA . LEU B 809 ? 0.2029 0.2386 0.2630 0.0108 -0.0132 -0.0596 891 LEU B CA 10919 C C . LEU B 809 ? 0.2951 0.3487 0.3705 0.0117 -0.0142 -0.0556 891 LEU B C 10920 O O . LEU B 809 ? 0.3607 0.4160 0.4374 0.0126 -0.0151 -0.0572 891 LEU B O 10921 C CB . LEU B 809 ? 0.1425 0.1777 0.2033 0.0110 -0.0136 -0.0599 891 LEU B CB 10922 C CG . LEU B 809 ? 0.2376 0.2881 0.3116 0.0125 -0.0156 -0.0539 891 LEU B CG 10923 C CD1 . LEU B 809 ? 0.3148 0.3647 0.3894 0.0125 -0.0157 -0.0539 891 LEU B CD1 10924 C CD2 . LEU B 809 ? 0.1949 0.2298 0.2550 0.0128 -0.0157 -0.0604 891 LEU B CD2 10925 N N . LEU B 810 ? 0.2958 0.3327 0.3565 0.0099 -0.0121 -0.0603 892 LEU B N 10926 C CA . LEU B 810 ? 0.2596 0.3146 0.3356 0.0108 -0.0131 -0.0562 892 LEU B CA 10927 C C . LEU B 810 ? 0.1669 0.2059 0.2275 0.0102 -0.0121 -0.0616 892 LEU B C 10928 O O . LEU B 810 ? 0.1353 0.1758 0.1966 0.0107 -0.0126 -0.0633 892 LEU B O 10929 C CB . LEU B 810 ? 0.0542 0.0922 0.1154 0.0091 -0.0110 -0.0608 892 LEU B CB 10930 C CG . LEU B 810 ? 0.2488 0.3034 0.3259 0.0096 -0.0117 -0.0560 892 LEU B CG 10931 C CD1 . LEU B 810 ? 0.2462 0.3008 0.3234 0.0088 -0.0107 -0.0558 892 LEU B CD1 10932 C CD2 . LEU B 810 ? 0.3068 0.3693 0.4011 0.0128 -0.0156 -0.0793 892 LEU B CD2 10933 N N . ARG B 811 ? 0.1631 0.2009 0.2224 0.0097 -0.0116 -0.0599 893 ARG B N 10934 C CA . ARG B 811 ? 0.1625 0.2167 0.2355 0.0106 -0.0126 -0.0548 893 ARG B CA 10935 C C . ARG B 811 ? 0.1832 0.2225 0.2429 0.0106 -0.0125 -0.0616 893 ARG B C 10936 O O . ARG B 811 ? 0.2731 0.3137 0.3331 0.0109 -0.0127 -0.0628 893 ARG B O 10937 C CB . ARG B 811 ? 0.2293 0.2660 0.2869 0.0091 -0.0109 -0.0581 893 ARG B CB 10938 C CG . ARG B 811 ? 0.3373 0.3733 0.3939 0.0083 -0.0099 -0.0566 893 ARG B CG 10939 C CD . ARG B 811 ? 0.5421 0.5919 0.6110 0.0085 -0.0102 -0.0505 893 ARG B CD 10940 N NE . ARG B 811 ? 0.7532 0.8016 0.8214 0.0084 -0.0103 -0.0496 893 ARG B NE 10941 C CZ . ARG B 811 ? 0.8956 0.9436 0.9638 0.0085 -0.0104 -0.0494 893 ARG B CZ 10942 N NH1 . ARG B 811 ? 0.9135 0.9474 0.9693 0.0079 -0.0096 -0.0548 893 ARG B NH1 10943 N NH2 . ARG B 811 ? 0.9661 0.9985 1.0211 0.0079 -0.0097 -0.0533 893 ARG B NH2 10944 N N . LEU B 812 ? 0.1950 0.2340 0.2551 0.0112 -0.0132 -0.0619 894 LEU B N 10945 C CA . LEU B 812 ? 0.1326 0.1726 0.1936 0.0122 -0.0144 -0.0636 894 LEU B CA 10946 C C . LEU B 812 ? 0.1870 0.2287 0.2492 0.0129 -0.0150 -0.0657 894 LEU B C 10947 O O . LEU B 812 ? 0.2022 0.2632 0.2812 0.0148 -0.0171 -0.0614 894 LEU B O 10948 C CB . LEU B 812 ? 0.1423 0.1984 0.2184 0.0139 -0.0165 -0.0579 894 LEU B CB 10949 C CG . LEU B 812 ? 0.2503 0.3078 0.3277 0.0153 -0.0181 -0.0595 894 LEU B CG 10950 C CD1 . LEU B 812 ? 0.2803 0.3445 0.3710 0.0192 -0.0226 -0.0817 894 LEU B CD1 10951 C CD2 . LEU B 812 ? 0.2169 0.2561 0.2787 0.0147 -0.0175 -0.0653 894 LEU B CD2 10952 N N . LYS B 813 ? 0.1855 0.2447 0.2639 0.0139 -0.0162 -0.0602 895 LYS B N 10953 C CA . LYS B 813 ? 0.3401 0.3836 0.4044 0.0134 -0.0156 -0.0682 895 LYS B CA 10954 C C . LYS B 813 ? 0.3893 0.4526 0.4702 0.0145 -0.0167 -0.0631 895 LYS B C 10955 O O . LYS B 813 ? 0.3001 0.3469 0.3655 0.0141 -0.0161 -0.0713 895 LYS B O 10956 C CB . LYS B 813 ? 0.3513 0.3943 0.4165 0.0132 -0.0155 -0.0684 895 LYS B CB 10957 C CG . LYS B 813 ? 0.3358 0.3776 0.4012 0.0135 -0.0160 -0.0679 895 LYS B CG 10958 C CD . LYS B 813 ? 0.2771 0.3191 0.3443 0.0134 -0.0160 -0.0688 895 LYS B CD 10959 C CE . LYS B 813 ? 0.2135 0.2725 0.2968 0.0147 -0.0179 -0.0620 895 LYS B CE 10960 N NZ . LYS B 813 ? 0.2621 0.3012 0.3287 0.0123 -0.0151 -0.0661 895 LYS B NZ 10961 N N . THR B 814 ? 0.4117 0.4560 0.4747 0.0125 -0.0143 -0.0676 896 THR B N 10962 C CA . THR B 814 ? 0.3934 0.4392 0.4562 0.0125 -0.0141 -0.0683 896 THR B CA 10963 C C . THR B 814 ? 0.3351 0.3816 0.3974 0.0126 -0.0142 -0.0685 896 THR B C 10964 O O . THR B 814 ? 0.3777 0.4430 0.4561 0.0136 -0.0151 -0.0628 896 THR B O 10965 C CB . THR B 814 ? 0.3908 0.4358 0.4527 0.0116 -0.0132 -0.0668 896 THR B CB 10966 O OG1 . THR B 814 ? 0.5021 0.5694 0.5911 0.0148 -0.0169 -0.0805 896 THR B OG1 10967 C CG2 . THR B 814 ? 0.1255 0.1879 0.2044 0.0125 -0.0142 -0.0613 896 THR B CG2 10968 N N . HIS B 815 ? 0.2501 0.2962 0.3126 0.0129 -0.0145 -0.0686 897 HIS B N 10969 C CA . HIS B 815 ? 0.2419 0.3145 0.3341 0.0175 -0.0197 -0.0859 897 HIS B CA 10970 C C . HIS B 815 ? 0.3243 0.3734 0.3878 0.0139 -0.0153 -0.0714 897 HIS B C 10971 O O . HIS B 815 ? 0.3717 0.4405 0.4537 0.0162 -0.0178 -0.0666 897 HIS B O 10972 C CB . HIS B 815 ? 0.1897 0.2529 0.2683 0.0139 -0.0157 -0.0620 897 HIS B CB 10973 C CG . HIS B 815 ? 0.2682 0.3402 0.3608 0.0172 -0.0194 -0.0855 897 HIS B CG 10974 N ND1 . HIS B 815 ? 0.2386 0.3018 0.3169 0.0127 -0.0143 -0.0615 897 HIS B ND1 10975 C CD2 . HIS B 815 ? 0.2096 0.2756 0.2904 0.0145 -0.0163 -0.0642 897 HIS B CD2 10976 C CE1 . HIS B 815 ? 0.2555 0.3200 0.3350 0.0127 -0.0143 -0.0625 897 HIS B CE1 10977 N NE2 . HIS B 815 ? 0.2054 0.2532 0.2694 0.0127 -0.0142 -0.0703 897 HIS B NE2 10978 N N . LEU B 816 ? 0.3610 0.4113 0.4243 0.0137 -0.0150 -0.0718 898 LEU B N 10979 C CA . LEU B 816 ? 0.2789 0.3315 0.3431 0.0146 -0.0158 -0.0743 898 LEU B CA 10980 C C . LEU B 816 ? 0.2011 0.2731 0.2834 0.0153 -0.0165 -0.0677 898 LEU B C 10981 O O . LEU B 816 ? 0.1375 0.2081 0.2185 0.0142 -0.0154 -0.0663 898 LEU B O 10982 C CB . LEU B 816 ? 0.2719 0.3458 0.3545 0.0165 -0.0175 -0.0690 898 LEU B CB 10983 C CG . LEU B 816 ? 0.2177 0.2930 0.3016 0.0176 -0.0187 -0.0705 898 LEU B CG 10984 C CD1 . LEU B 816 ? 0.2188 0.3074 0.3163 0.0228 -0.0239 -0.0985 898 LEU B CD1 10985 C CD2 . LEU B 816 ? 0.2123 0.2686 0.2785 0.0171 -0.0183 -0.0790 898 LEU B CD2 10986 N N . PRO B 817 ? 0.2276 0.3113 0.3250 0.0201 -0.0216 -0.0949 899 PRO B N 10987 C CA . PRO B 817 ? 0.2486 0.3332 0.3468 0.0193 -0.0207 -0.0953 899 PRO B CA 10988 C C . PRO B 817 ? 0.2288 0.2856 0.2944 0.0140 -0.0148 -0.0772 899 PRO B C 10989 O O . PRO B 817 ? 0.2461 0.3246 0.3309 0.0163 -0.0170 -0.0718 899 PRO B O 10990 C CB . PRO B 817 ? 0.3861 0.4426 0.4536 0.0151 -0.0162 -0.0786 899 PRO B CB 10991 C CG . PRO B 817 ? 0.4234 0.5014 0.5105 0.0180 -0.0191 -0.0730 899 PRO B CG 10992 C CD . PRO B 817 ? 0.3091 0.3648 0.3756 0.0161 -0.0172 -0.0781 899 PRO B CD 10993 N N . ILE B 818 ? 0.2134 0.2893 0.2977 0.0141 -0.0149 -0.0697 900 ILE B N 10994 C CA . ILE B 818 ? 0.2906 0.3486 0.3558 0.0127 -0.0133 -0.0770 900 ILE B CA 10995 C C . ILE B 818 ? 0.3690 0.4295 0.4357 0.0131 -0.0136 -0.0795 900 ILE B C 10996 O O . ILE B 818 ? 0.3456 0.4059 0.4137 0.0126 -0.0133 -0.0800 900 ILE B O 10997 C CB . ILE B 818 ? 0.1747 0.2311 0.2390 0.0113 -0.0119 -0.0748 900 ILE B CB 10998 C CG1 . ILE B 818 ? 0.2061 0.2610 0.2686 0.0112 -0.0118 -0.0730 900 ILE B CG1 10999 C CG2 . ILE B 818 ? 0.2755 0.3336 0.3401 0.0109 -0.0114 -0.0759 900 ILE B CG2 11000 C CD1 . ILE B 818 ? 0.4519 0.5325 0.5444 0.0151 -0.0161 -0.0891 900 ILE B CD1 11001 N N . PHE B 819 ? 0.4400 0.5032 0.5064 0.0141 -0.0143 -0.0813 901 PHE B N 11002 C CA . PHE B 819 ? 0.5117 0.5987 0.6002 0.0158 -0.0160 -0.0766 901 PHE B CA 11003 C C . PHE B 819 ? 0.6454 0.7114 0.7136 0.0131 -0.0133 -0.0835 901 PHE B C 11004 O O . PHE B 819 ? 0.5993 0.6980 0.6998 0.0170 -0.0171 -0.1025 901 PHE B O 11005 C CB . PHE B 819 ? 0.4794 0.5656 0.5618 0.0129 -0.0214 -0.0807 901 PHE B CB 11006 C CG . PHE B 819 ? 0.6562 0.7434 0.7393 0.0147 -0.0229 -0.0819 901 PHE B CG 11007 C CD1 . PHE B 819 ? 0.8302 0.9193 0.9195 0.0191 -0.0192 -0.0788 901 PHE B CD1 11008 C CD2 . PHE B 819 ? 0.6621 0.7539 0.7469 0.0173 -0.0242 -0.0862 901 PHE B CD2 11009 C CE1 . PHE B 819 ? 0.8579 0.9473 0.9475 0.0205 -0.0205 -0.0794 901 PHE B CE1 11010 C CE2 . PHE B 819 ? 0.6683 0.7613 0.7544 0.0190 -0.0256 -0.0879 901 PHE B CE2 11011 C CZ . PHE B 819 ? 0.7387 0.8283 0.8242 0.0181 -0.0257 -0.0853 901 PHE B CZ 11012 N N . SER B 820 ? 0.7234 0.8116 0.8148 0.0138 -0.0141 -0.0777 902 SER B N 11013 C CA . SER B 820 ? 0.7677 0.8345 0.8391 0.0111 -0.0114 -0.0851 902 SER B CA 11014 C C . SER B 820 ? 0.7958 0.8594 0.8667 0.0096 -0.0101 -0.0822 902 SER B C 11015 O O . SER B 820 ? 0.7933 0.8768 0.8859 0.0090 -0.0096 -0.0752 902 SER B O 11016 C CB . SER B 820 ? 0.6949 0.7830 0.7831 0.0085 -0.0166 -0.0850 902 SER B CB 11017 O OG . SER B 820 ? 0.5616 0.6503 0.6521 0.0070 -0.0148 -0.0867 902 SER B OG # 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 TRP 1 51 ? ? ? A . n A 1 2 THR 2 52 ? ? ? A . n A 1 3 ASN 3 53 ? ? ? A . n A 1 4 THR 4 54 ? ? ? A . n A 1 5 SER 5 55 ? ? ? A . n A 1 6 GLY 6 56 ? ? ? A . n A 1 7 SER 7 57 ? ? ? A . n A 1 8 CYS 8 58 ? ? ? A . n A 1 9 ARG 9 59 ? ? ? A . n A 1 10 GLY 10 92 ? ? ? A . n A 1 11 ARG 11 93 ? ? ? A . n A 1 12 CYS 12 94 ? ? ? A . n A 1 13 PHE 13 95 ? ? ? A . n A 1 14 GLU 14 96 ? ? ? A . n A 1 15 ARG 15 97 ? ? ? A . n A 1 16 THR 16 98 ? ? ? A . n A 1 17 PHE 17 99 ? ? ? A . n A 1 18 SER 18 100 ? ? ? A . n A 1 19 ASN 19 101 ? ? ? A . n A 1 20 CYS 20 102 ? ? ? A . n A 1 21 ARG 21 103 ? ? ? A . n A 1 22 CYS 22 104 ? ? ? A . n A 1 23 ASP 23 105 ? ? ? A . n A 1 24 ALA 24 106 ? ? ? A . n A 1 25 ALA 25 107 ? ? ? A . n A 1 26 CYS 26 108 ? ? ? A . n A 1 27 VAL 27 109 ? ? ? A . n A 1 28 SER 28 110 ? ? ? A . n A 1 29 LEU 29 111 ? ? ? A . n A 1 30 GLY 30 112 ? ? ? A . n A 1 31 ASN 31 113 ? ? ? A . n A 1 32 CYS 32 114 ? ? ? A . n A 1 33 CYS 33 115 ? ? ? A . n A 1 34 LEU 34 116 ? ? ? A . n A 1 35 ASP 35 117 ? ? ? A . n A 1 36 PHE 36 118 ? ? ? A . n A 1 37 GLN 37 119 ? ? ? A . n A 1 38 GLU 38 120 ? ? ? A . n A 1 39 THR 39 121 ? ? ? A . n A 1 40 CYS 40 122 ? ? ? A . n A 1 41 VAL 41 123 ? ? ? A . n A 1 42 GLU 42 124 ? ? ? A . n A 1 43 PRO 43 125 ? ? ? A . n A 1 44 THR 44 126 ? ? ? A . n A 1 45 HIS 45 127 ? ? ? A . n A 1 46 ILE 46 128 ? ? ? A . n A 1 47 TRP 47 129 ? ? ? A . n A 1 48 THR 48 130 ? ? ? A . n A 1 49 CYS 49 131 ? ? ? A . n A 1 50 ASN 50 132 ? ? ? A . n A 1 51 LYS 51 133 ? ? ? A . n A 1 52 PHE 52 134 ? ? ? A . n A 1 53 ARG 53 135 ? ? ? A . n A 1 54 CYS 54 136 ? ? ? A . n A 1 55 GLY 55 137 ? ? ? A . n A 1 56 GLU 56 138 ? ? ? A . n A 1 57 LYS 57 139 ? ? ? A . n A 1 58 ARG 58 140 ? ? ? A . n A 1 59 LEU 59 141 ? ? ? A . n A 1 60 SER 60 142 ? ? ? A . n A 1 61 ARG 61 143 ? ? ? A . n A 1 62 PHE 62 144 ? ? ? A . n A 1 63 VAL 63 145 ? ? ? A . n A 1 64 CYS 64 146 ? ? ? A . n A 1 65 SER 65 147 ? ? ? A . n A 1 66 CYS 66 148 ? ? ? A . n A 1 67 ALA 67 149 ? ? ? A . n A 1 68 ASP 68 150 ? ? ? A . n A 1 69 ASP 69 151 ? ? ? A . n A 1 70 CYS 70 152 ? ? ? A . n A 1 71 LYS 71 153 ? ? ? A . n A 1 72 THR 72 154 ? ? ? A . n A 1 73 HIS 73 155 ? ? ? A . n A 1 74 ASN 74 156 ? ? ? A . n A 1 75 ASP 75 157 ? ? ? A . n A 1 76 CYS 76 158 ? ? ? A . n A 1 77 CYS 77 159 ? ? ? A . n A 1 78 ILE 78 160 ? ? ? A . n A 1 79 ASN 79 161 ? ? ? A . n A 1 80 TYR 80 162 ? ? ? A . n A 1 81 SER 81 163 ? ? ? A . n A 1 82 SER 82 164 ? ? ? A . n A 1 83 VAL 83 165 ? ? ? A . n A 1 84 CYS 84 166 ? ? ? A . n A 1 85 GLN 85 167 ? ? ? A . n A 1 86 ASP 86 168 ? ? ? A . n A 1 87 LYS 87 169 ? ? ? A . n A 1 88 LYS 88 170 170 LYS LYS A . n A 1 89 SER 89 171 171 SER SER A . n A 1 90 TRP 90 172 172 TRP TRP A . n A 1 91 VAL 91 173 173 VAL VAL A . n A 1 92 GLU 92 174 174 GLU GLU A . n A 1 93 GLU 93 175 175 GLU GLU A . n A 1 94 THR 94 176 176 THR THR A . n A 1 95 CYS 95 177 177 CYS CYS A . n A 1 96 GLU 96 178 178 GLU GLU A . n A 1 97 SER 97 179 179 SER SER A . n A 1 98 ILE 98 180 180 ILE ILE A . n A 1 99 ASP 99 181 181 ASP ASP A . n A 1 100 THR 100 182 182 THR THR A . n A 1 101 PRO 101 183 183 PRO PRO A . n A 1 102 GLU 102 184 184 GLU GLU A . n A 1 103 CYS 103 185 185 CYS CYS A . n A 1 104 PRO 104 186 186 PRO PRO A . n A 1 105 ALA 105 187 187 ALA ALA A . n A 1 106 GLU 106 188 188 GLU GLU A . n A 1 107 PHE 107 189 189 PHE PHE A . n A 1 108 GLU 108 190 190 GLU GLU A . n A 1 109 SER 109 191 191 SER SER A . n A 1 110 PRO 110 192 192 PRO PRO A . n A 1 111 PRO 111 193 193 PRO PRO A . n A 1 112 THR 112 194 194 THR THR A . n A 1 113 LEU 113 195 195 LEU LEU A . n A 1 114 LEU 114 196 196 LEU LEU A . n A 1 115 PHE 115 197 197 PHE PHE A . n A 1 116 SER 116 198 198 SER SER A . n A 1 117 LEU 117 199 199 LEU LEU A . n A 1 118 ASP 118 200 200 ASP ASP A . n A 1 119 GLY 119 201 201 GLY GLY A . n A 1 120 PHE 120 202 202 PHE PHE A . n A 1 121 ARG 121 203 203 ARG ARG A . n A 1 122 ALA 122 204 204 ALA ALA A . n A 1 123 GLU 123 205 205 GLU GLU A . n A 1 124 TYR 124 206 206 TYR TYR A . n A 1 125 LEU 125 207 207 LEU LEU A . n A 1 126 HIS 126 208 208 HIS HIS A . n A 1 127 THR 127 209 209 THR THR A . n A 1 128 TRP 128 210 210 TRP TRP A . n A 1 129 GLY 129 211 211 GLY GLY A . n A 1 130 GLY 130 212 212 GLY GLY A . n A 1 131 LEU 131 213 213 LEU LEU A . n A 1 132 LEU 132 214 214 LEU LEU A . n A 1 133 PRO 133 215 215 PRO PRO A . n A 1 134 VAL 134 216 216 VAL VAL A . n A 1 135 ILE 135 217 217 ILE ILE A . n A 1 136 SER 136 218 218 SER SER A . n A 1 137 LYS 137 219 219 LYS LYS A . n A 1 138 LEU 138 220 220 LEU LEU A . n A 1 139 LYS 139 221 221 LYS LYS A . n A 1 140 ASN 140 222 222 ASN ASN A . n A 1 141 CYS 141 223 223 CYS CYS A . n A 1 142 GLY 142 224 224 GLY GLY A . n A 1 143 THR 143 225 225 THR THR A . n A 1 144 TYR 144 226 226 TYR TYR A . n A 1 145 THR 145 227 227 THR THR A . n A 1 146 LYS 146 228 228 LYS LYS A . n A 1 147 ASN 147 229 229 ASN ASN A . n A 1 148 MSE 148 230 230 MSE MSE A . n A 1 149 ARG 149 231 231 ARG ARG A . n A 1 150 PRO 150 232 232 PRO PRO A . n A 1 151 MSE 151 233 233 MSE MSE A . n A 1 152 TYR 152 234 234 TYR TYR A . n A 1 153 PRO 153 235 235 PRO PRO A . n A 1 154 THR 154 236 236 THR THR A . n A 1 155 LYS 155 237 237 LYS LYS A . n A 1 156 THR 156 238 238 THR THR A . n A 1 157 PHE 157 239 239 PHE PHE A . n A 1 158 PRO 158 240 240 PRO PRO A . n A 1 159 ASN 159 241 241 ASN ASN A . n A 1 160 HIS 160 242 242 HIS HIS A . n A 1 161 TYR 161 243 243 TYR TYR A . n A 1 162 SER 162 244 244 SER SER A . n A 1 163 ILE 163 245 245 ILE ILE A . n A 1 164 VAL 164 246 246 VAL VAL A . n A 1 165 THR 165 247 247 THR THR A . n A 1 166 GLY 166 248 248 GLY GLY A . n A 1 167 LEU 167 249 249 LEU LEU A . n A 1 168 TYR 168 250 250 TYR TYR A . n A 1 169 PRO 169 251 251 PRO PRO A . n A 1 170 GLU 170 252 252 GLU GLU A . n A 1 171 SER 171 253 253 SER SER A . n A 1 172 HIS 172 254 254 HIS HIS A . n A 1 173 GLY 173 255 255 GLY GLY A . n A 1 174 ILE 174 256 256 ILE ILE A . n A 1 175 ILE 175 257 257 ILE ILE A . n A 1 176 ASP 176 258 258 ASP ASP A . n A 1 177 ASN 177 259 259 ASN ASN A . n A 1 178 LYS 178 260 260 LYS LYS A . n A 1 179 MSE 179 261 261 MSE MSE A . n A 1 180 TYR 180 262 262 TYR TYR A . n A 1 181 ASP 181 263 263 ASP ASP A . n A 1 182 PRO 182 264 264 PRO PRO A . n A 1 183 LYS 183 265 265 LYS LYS A . n A 1 184 MSE 184 266 266 MSE MSE A . n A 1 185 ASN 185 267 267 ASN ASN A . n A 1 186 ALA 186 268 268 ALA ALA A . n A 1 187 SER 187 269 269 SER SER A . n A 1 188 PHE 188 270 270 PHE PHE A . n A 1 189 SER 189 271 271 SER SER A . n A 1 190 LEU 190 272 272 LEU LEU A . n A 1 191 LYS 191 273 273 LYS LYS A . n A 1 192 SER 192 274 274 SER SER A . n A 1 193 LYS 193 275 275 LYS LYS A . n A 1 194 GLU 194 276 276 GLU GLU A . n A 1 195 LYS 195 277 277 LYS LYS A . n A 1 196 PHE 196 278 278 PHE PHE A . n A 1 197 ASN 197 279 279 ASN ASN A . n A 1 198 PRO 198 280 280 PRO PRO A . n A 1 199 LEU 199 281 281 LEU LEU A . n A 1 200 TRP 200 282 282 TRP TRP A . n A 1 201 TYR 201 283 283 TYR TYR A . n A 1 202 LYS 202 284 284 LYS LYS A . n A 1 203 GLY 203 285 285 GLY GLY A . n A 1 204 GLN 204 286 286 GLN GLN A . n A 1 205 PRO 205 287 287 PRO PRO A . n A 1 206 ILE 206 288 288 ILE ILE A . n A 1 207 TRP 207 289 289 TRP TRP A . n A 1 208 VAL 208 290 290 VAL VAL A . n A 1 209 THR 209 291 291 THR THR A . n A 1 210 ALA 210 292 292 ALA ALA A . n A 1 211 ASN 211 293 293 ASN ASN A . n A 1 212 HIS 212 294 294 HIS HIS A . n A 1 213 GLN 213 295 295 GLN GLN A . n A 1 214 GLU 214 296 296 GLU GLU A . n A 1 215 VAL 215 297 297 VAL VAL A . n A 1 216 LYS 216 298 298 LYS LYS A . n A 1 217 SER 217 299 299 SER SER A . n A 1 218 GLY 218 300 300 GLY GLY A . n A 1 219 THR 219 301 301 THR THR A . n A 1 220 TYR 220 302 302 TYR TYR A . n A 1 221 PHE 221 303 303 PHE PHE A . n A 1 222 TRP 222 304 304 TRP TRP A . n A 1 223 PRO 223 305 305 PRO PRO A . n A 1 224 GLY 224 306 306 GLY GLY A . n A 1 225 SER 225 307 307 SER SER A . n A 1 226 ASP 226 308 308 ASP ASP A . n A 1 227 VAL 227 309 309 VAL VAL A . n A 1 228 GLU 228 310 310 GLU GLU A . n A 1 229 ILE 229 311 311 ILE ILE A . n A 1 230 ASP 230 312 312 ASP ASP A . n A 1 231 GLY 231 313 313 GLY GLY A . n A 1 232 ILE 232 314 314 ILE ILE A . n A 1 233 LEU 233 315 315 LEU LEU A . n A 1 234 PRO 234 316 316 PRO PRO A . n A 1 235 ASP 235 317 317 ASP ASP A . n A 1 236 ILE 236 318 318 ILE ILE A . n A 1 237 TYR 237 319 319 TYR TYR A . n A 1 238 LYS 238 320 320 LYS LYS A . n A 1 239 VAL 239 321 321 VAL VAL A . n A 1 240 TYR 240 322 322 TYR TYR A . n A 1 241 ASN 241 323 323 ASN ASN A . n A 1 242 GLY 242 324 324 GLY GLY A . n A 1 243 SER 243 325 325 SER SER A . n A 1 244 VAL 244 326 326 VAL VAL A . n A 1 245 PRO 245 327 327 PRO PRO A . n A 1 246 PHE 246 328 328 PHE PHE A . n A 1 247 GLU 247 329 329 GLU GLU A . n A 1 248 GLU 248 330 330 GLU GLU A . n A 1 249 ARG 249 331 331 ARG ARG A . n A 1 250 ILE 250 332 332 ILE ILE A . n A 1 251 LEU 251 333 333 LEU LEU A . n A 1 252 ALA 252 334 334 ALA ALA A . n A 1 253 VAL 253 335 335 VAL VAL A . n A 1 254 LEU 254 336 336 LEU LEU A . n A 1 255 GLU 255 337 337 GLU GLU A . n A 1 256 TRP 256 338 338 TRP TRP A . n A 1 257 LEU 257 339 339 LEU LEU A . n A 1 258 GLN 258 340 340 GLN GLN A . n A 1 259 LEU 259 341 341 LEU LEU A . n A 1 260 PRO 260 342 342 PRO PRO A . n A 1 261 SER 261 343 343 SER SER A . n A 1 262 HIS 262 344 344 HIS HIS A . n A 1 263 GLU 263 345 345 GLU GLU A . n A 1 264 ARG 264 346 346 ARG ARG A . n A 1 265 PRO 265 347 347 PRO PRO A . n A 1 266 HIS 266 348 348 HIS HIS A . n A 1 267 PHE 267 349 349 PHE PHE A . n A 1 268 TYR 268 350 350 TYR TYR A . n A 1 269 THR 269 351 351 THR THR A . n A 1 270 LEU 270 352 352 LEU LEU A . n A 1 271 TYR 271 353 353 TYR TYR A . n A 1 272 LEU 272 354 354 LEU LEU A . n A 1 273 GLU 273 355 355 GLU GLU A . n A 1 274 GLU 274 356 356 GLU GLU A . n A 1 275 PRO 275 357 357 PRO PRO A . n A 1 276 ASP 276 358 358 ASP ASP A . n A 1 277 SER 277 359 359 SER SER A . n A 1 278 SER 278 360 360 SER SER A . n A 1 279 GLY 279 361 361 GLY GLY A . n A 1 280 HIS 280 362 362 HIS HIS A . n A 1 281 SER 281 363 363 SER SER A . n A 1 282 HIS 282 364 364 HIS HIS A . n A 1 283 GLY 283 365 365 GLY GLY A . n A 1 284 PRO 284 366 366 PRO PRO A . n A 1 285 VAL 285 367 367 VAL VAL A . n A 1 286 SER 286 368 368 SER SER A . n A 1 287 SER 287 369 369 SER SER A . n A 1 288 GLU 288 370 370 GLU GLU A . n A 1 289 VAL 289 371 371 VAL VAL A . n A 1 290 ILE 290 372 372 ILE ILE A . n A 1 291 LYS 291 373 373 LYS LYS A . n A 1 292 ALA 292 374 374 ALA ALA A . n A 1 293 LEU 293 375 375 LEU LEU A . n A 1 294 GLN 294 376 376 GLN GLN A . n A 1 295 LYS 295 377 377 LYS LYS A . n A 1 296 VAL 296 378 378 VAL VAL A . n A 1 297 ASP 297 379 379 ASP ASP A . n A 1 298 ARG 298 380 380 ARG ARG A . n A 1 299 LEU 299 381 381 LEU LEU A . n A 1 300 VAL 300 382 382 VAL VAL A . n A 1 301 GLY 301 383 383 GLY GLY A . n A 1 302 MSE 302 384 384 MSE MSE A . n A 1 303 LEU 303 385 385 LEU LEU A . n A 1 304 MSE 304 386 386 MSE MSE A . n A 1 305 ASP 305 387 387 ASP ASP A . n A 1 306 GLY 306 388 388 GLY GLY A . n A 1 307 LEU 307 389 389 LEU LEU A . n A 1 308 LYS 308 390 390 LYS LYS A . n A 1 309 ASP 309 391 391 ASP ASP A . n A 1 310 LEU 310 392 392 LEU LEU A . n A 1 311 GLY 311 393 393 GLY GLY A . n A 1 312 LEU 312 394 394 LEU LEU A . n A 1 313 ASP 313 395 395 ASP ASP A . n A 1 314 LYS 314 396 396 LYS LYS A . n A 1 315 CYS 315 397 397 CYS CYS A . n A 1 316 LEU 316 398 398 LEU LEU A . n A 1 317 ASN 317 399 399 ASN ASN A . n A 1 318 LEU 318 400 400 LEU LEU A . n A 1 319 ILE 319 401 401 ILE ILE A . n A 1 320 LEU 320 402 402 LEU LEU A . n A 1 321 ILE 321 403 403 ILE ILE A . n A 1 322 SER 322 404 404 SER SER A . n A 1 323 ASP 323 405 405 ASP ASP A . n A 1 324 HIS 324 406 406 HIS HIS A . n A 1 325 GLY 325 407 407 GLY GLY A . n A 1 326 MSE 326 408 408 MSE MSE A . n A 1 327 GLU 327 409 409 GLU GLU A . n A 1 328 GLN 328 410 410 GLN GLN A . n A 1 329 GLY 329 411 411 GLY GLY A . n A 1 330 SER 330 412 412 SER SER A . n A 1 331 CYS 331 413 413 CYS CYS A . n A 1 332 LYS 332 414 414 LYS LYS A . n A 1 333 LYS 333 415 415 LYS LYS A . n A 1 334 TYR 334 416 416 TYR TYR A . n A 1 335 VAL 335 417 417 VAL VAL A . n A 1 336 TYR 336 418 418 TYR TYR A . n A 1 337 LEU 337 419 419 LEU LEU A . n A 1 338 ASN 338 420 420 ASN ASN A . n A 1 339 LYS 339 421 421 LYS LYS A . n A 1 340 TYR 340 422 422 TYR TYR A . n A 1 341 LEU 341 423 423 LEU LEU A . n A 1 342 GLY 342 424 424 GLY GLY A . n A 1 343 ASP 343 425 425 ASP ASP A . n A 1 344 VAL 344 426 426 VAL VAL A . n A 1 345 ASN 345 427 427 ASN ASN A . n A 1 346 ASN 346 428 428 ASN ASN A . n A 1 347 VAL 347 429 429 VAL VAL A . n A 1 348 LYS 348 430 430 LYS LYS A . n A 1 349 VAL 349 431 431 VAL VAL A . n A 1 350 VAL 350 432 432 VAL VAL A . n A 1 351 TYR 351 433 433 TYR TYR A . n A 1 352 GLY 352 434 434 GLY GLY A . n A 1 353 PRO 353 435 435 PRO PRO A . n A 1 354 ALA 354 436 436 ALA ALA A . n A 1 355 ALA 355 437 437 ALA ALA A . n A 1 356 ARG 356 438 438 ARG ARG A . n A 1 357 LEU 357 439 439 LEU LEU A . n A 1 358 ARG 358 440 440 ARG ARG A . n A 1 359 PRO 359 441 441 PRO PRO A . n A 1 360 THR 360 442 442 THR THR A . n A 1 361 ASP 361 443 443 ASP ASP A . n A 1 362 VAL 362 444 444 VAL VAL A . n A 1 363 PRO 363 445 445 PRO PRO A . n A 1 364 GLU 364 446 446 GLU GLU A . n A 1 365 THR 365 447 447 THR THR A . n A 1 366 TYR 366 448 448 TYR TYR A . n A 1 367 TYR 367 449 449 TYR TYR A . n A 1 368 SER 368 450 450 SER SER A . n A 1 369 PHE 369 451 451 PHE PHE A . n A 1 370 ASN 370 452 452 ASN ASN A . n A 1 371 TYR 371 453 453 TYR TYR A . n A 1 372 GLU 372 454 454 GLU GLU A . n A 1 373 ALA 373 455 455 ALA ALA A . n A 1 374 LEU 374 456 456 LEU LEU A . n A 1 375 ALA 375 457 457 ALA ALA A . n A 1 376 LYS 376 458 458 LYS LYS A . n A 1 377 ASN 377 459 459 ASN ASN A . n A 1 378 LEU 378 460 460 LEU LEU A . n A 1 379 SER 379 461 461 SER SER A . n A 1 380 CYS 380 462 462 CYS CYS A . n A 1 381 ARG 381 463 463 ARG ARG A . n A 1 382 GLU 382 464 464 GLU GLU A . n A 1 383 PRO 383 465 465 PRO PRO A . n A 1 384 ASN 384 466 466 ASN ASN A . n A 1 385 GLN 385 467 467 GLN GLN A . n A 1 386 HIS 386 468 468 HIS HIS A . n A 1 387 PHE 387 469 469 PHE PHE A . n A 1 388 ARG 388 470 470 ARG ARG A . n A 1 389 PRO 389 471 471 PRO PRO A . n A 1 390 TYR 390 472 472 TYR TYR A . n A 1 391 LEU 391 473 473 LEU LEU A . n A 1 392 LYS 392 474 474 LYS LYS A . n A 1 393 PRO 393 475 475 PRO PRO A . n A 1 394 PHE 394 476 476 PHE PHE A . n A 1 395 LEU 395 477 477 LEU LEU A . n A 1 396 PRO 396 478 478 PRO PRO A . n A 1 397 LYS 397 479 479 LYS LYS A . n A 1 398 ARG 398 480 480 ARG ARG A . n A 1 399 LEU 399 481 481 LEU LEU A . n A 1 400 HIS 400 482 482 HIS HIS A . n A 1 401 PHE 401 483 483 PHE PHE A . n A 1 402 ALA 402 484 484 ALA ALA A . n A 1 403 LYS 403 485 485 LYS LYS A . n A 1 404 SER 404 486 486 SER SER A . n A 1 405 ASP 405 487 487 ASP ASP A . n A 1 406 ARG 406 488 488 ARG ARG A . n A 1 407 ILE 407 489 489 ILE ILE A . n A 1 408 GLU 408 490 490 GLU GLU A . n A 1 409 PRO 409 491 491 PRO PRO A . n A 1 410 LEU 410 492 492 LEU LEU A . n A 1 411 THR 411 493 493 THR THR A . n A 1 412 PHE 412 494 494 PHE PHE A . n A 1 413 TYR 413 495 495 TYR TYR A . n A 1 414 LEU 414 496 496 LEU LEU A . n A 1 415 ASP 415 497 497 ASP ASP A . n A 1 416 PRO 416 498 498 PRO PRO A . n A 1 417 GLN 417 499 499 GLN GLN A . n A 1 418 TRP 418 500 500 TRP TRP A . n A 1 419 GLN 419 501 501 GLN GLN A . n A 1 420 LEU 420 502 502 LEU LEU A . n A 1 421 ALA 421 503 503 ALA ALA A . n A 1 422 LEU 422 504 504 LEU LEU A . n A 1 423 ASN 423 505 505 ASN ASN A . n A 1 424 PRO 424 506 506 PRO PRO A . n A 1 425 SER 425 507 507 SER SER A . n A 1 426 GLU 426 508 508 GLU GLU A . n A 1 427 ARG 427 509 509 ARG ARG A . n A 1 428 LYS 428 510 510 LYS LYS A . n A 1 429 TYR 429 511 511 TYR TYR A . n A 1 430 CYS 430 512 512 CYS CYS A . n A 1 431 GLY 431 513 513 GLY GLY A . n A 1 432 SER 432 514 514 SER SER A . n A 1 433 GLY 433 515 515 GLY GLY A . n A 1 434 PHE 434 516 516 PHE PHE A . n A 1 435 HIS 435 517 517 HIS HIS A . n A 1 436 GLY 436 518 518 GLY GLY A . n A 1 437 SER 437 519 519 SER SER A . n A 1 438 ASP 438 520 520 ASP ASP A . n A 1 439 ASN 439 521 521 ASN ASN A . n A 1 440 LEU 440 522 522 LEU LEU A . n A 1 441 PHE 441 523 523 PHE PHE A . n A 1 442 SER 442 524 524 SER SER A . n A 1 443 ASN 443 525 525 ASN ASN A . n A 1 444 MSE 444 526 526 MSE MSE A . n A 1 445 GLN 445 527 527 GLN GLN A . n A 1 446 ALA 446 528 528 ALA ALA A . n A 1 447 LEU 447 529 529 LEU LEU A . n A 1 448 PHE 448 530 530 PHE PHE A . n A 1 449 ILE 449 531 531 ILE ILE A . n A 1 450 GLY 450 532 532 GLY GLY A . n A 1 451 TYR 451 533 533 TYR TYR A . n A 1 452 GLY 452 534 534 GLY GLY A . n A 1 453 PRO 453 535 535 PRO PRO A . n A 1 454 ALA 454 536 536 ALA ALA A . n A 1 455 PHE 455 537 537 PHE PHE A . n A 1 456 LYS 456 538 538 LYS LYS A . n A 1 457 HIS 457 539 539 HIS HIS A . n A 1 458 GLY 458 540 540 GLY GLY A . n A 1 459 ALA 459 541 541 ALA ALA A . n A 1 460 GLU 460 542 542 GLU GLU A . n A 1 461 VAL 461 543 543 VAL VAL A . n A 1 462 ASP 462 544 544 ASP ASP A . n A 1 463 SER 463 545 545 SER SER A . n A 1 464 PHE 464 546 546 PHE PHE A . n A 1 465 GLU 465 547 547 GLU GLU A . n A 1 466 ASN 466 548 548 ASN ASN A . n A 1 467 ILE 467 549 549 ILE ILE A . n A 1 468 GLU 468 550 550 GLU GLU A . n A 1 469 VAL 469 551 551 VAL VAL A . n A 1 470 TYR 470 552 552 TYR TYR A . n A 1 471 ASN 471 553 553 ASN ASN A . n A 1 472 LEU 472 554 554 LEU LEU A . n A 1 473 MSE 473 555 555 MSE MSE A . n A 1 474 CYS 474 556 556 CYS CYS A . n A 1 475 ASP 475 557 557 ASP ASP A . n A 1 476 LEU 476 558 558 LEU LEU A . n A 1 477 LEU 477 559 559 LEU LEU A . n A 1 478 GLY 478 560 560 GLY GLY A . n A 1 479 LEU 479 561 561 LEU LEU A . n A 1 480 ILE 480 562 562 ILE ILE A . n A 1 481 PRO 481 563 563 PRO PRO A . n A 1 482 ALA 482 564 564 ALA ALA A . n A 1 483 PRO 483 565 565 PRO PRO A . n A 1 484 ASN 484 566 566 ASN ASN A . n A 1 485 ASN 485 567 567 ASN ASN A . n A 1 486 GLY 486 568 568 GLY GLY A . n A 1 487 SER 487 569 569 SER SER A . n A 1 488 HIS 488 570 570 HIS HIS A . n A 1 489 GLY 489 571 571 GLY GLY A . n A 1 490 SER 490 572 572 SER SER A . n A 1 491 LEU 491 573 573 LEU LEU A . n A 1 492 ASN 492 574 574 ASN ASN A . n A 1 493 HIS 493 575 575 HIS HIS A . n A 1 494 LEU 494 576 576 LEU LEU A . n A 1 495 LEU 495 577 577 LEU LEU A . n A 1 496 LYS 496 578 578 LYS LYS A . n A 1 497 LYS 497 579 579 LYS LYS A . n A 1 498 PRO 498 580 580 PRO PRO A . n A 1 499 ILE 499 581 581 ILE ILE A . n A 1 500 TYR 500 582 582 TYR TYR A . n A 1 501 ASN 501 583 583 ASN ASN A . n A 1 502 PRO 502 584 584 PRO PRO A . n A 1 503 SER 503 585 585 SER SER A . n A 1 504 HIS 504 586 586 HIS HIS A . n A 1 505 PRO 505 587 587 PRO PRO A . n A 1 506 LYS 506 588 588 LYS LYS A . n A 1 507 GLU 507 589 589 GLU GLU A . n A 1 508 GLU 508 590 590 GLU GLU A . n A 1 509 GLY 509 591 591 GLY GLY A . n A 1 510 PHE 510 592 592 PHE PHE A . n A 1 511 LEU 511 593 593 LEU LEU A . n A 1 512 SER 512 594 594 SER SER A . n A 1 513 GLN 513 595 595 GLN GLN A . n A 1 514 CYS 514 596 596 CYS CYS A . n A 1 515 PRO 515 597 597 PRO PRO A . n A 1 516 ILE 516 598 598 ILE ILE A . n A 1 517 LYS 517 599 599 LYS LYS A . n A 1 518 SER 518 600 600 SER SER A . n A 1 519 THR 519 601 601 THR THR A . n A 1 520 SER 520 602 602 SER SER A . n A 1 521 ASN 521 603 603 ASN ASN A . n A 1 522 ASP 522 604 604 ASP ASP A . n A 1 523 LEU 523 605 605 LEU LEU A . n A 1 524 GLY 524 606 606 GLY GLY A . n A 1 525 CYS 525 607 607 CYS CYS A . n A 1 526 THR 526 608 608 THR THR A . n A 1 527 CYS 527 609 609 CYS CYS A . n A 1 528 ASP 528 610 610 ASP ASP A . n A 1 529 PRO 529 611 611 PRO PRO A . n A 1 530 TRP 530 612 ? ? ? A . n A 1 531 ILE 531 613 ? ? ? A . n A 1 532 VAL 532 614 ? ? ? A . n A 1 533 PRO 533 615 ? ? ? A . n A 1 534 ILE 534 616 ? ? ? A . n A 1 535 LYS 535 617 ? ? ? A . n A 1 536 ASP 536 618 ? ? ? A . n A 1 537 PHE 537 619 ? ? ? A . n A 1 538 GLU 538 620 ? ? ? A . n A 1 539 LYS 539 621 ? ? ? A . n A 1 540 GLN 540 622 ? ? ? A . n A 1 541 LEU 541 623 ? ? ? A . n A 1 542 ASN 542 624 ? ? ? A . n A 1 543 LEU 543 625 ? ? ? A . n A 1 544 THR 544 626 ? ? ? A . n A 1 545 THR 545 627 ? ? ? A . n A 1 546 GLU 546 628 628 GLU GLU A . n A 1 547 ASP 547 629 629 ASP ASP A . n A 1 548 ASP 548 630 630 ASP ASP A . n A 1 549 ASP 549 631 631 ASP ASP A . n A 1 550 ILE 550 632 632 ILE ILE A . n A 1 551 TYR 551 633 633 TYR TYR A . n A 1 552 HIS 552 634 634 HIS HIS A . n A 1 553 MSE 553 635 635 MSE MSE A . n A 1 554 THR 554 636 636 THR THR A . n A 1 555 VAL 555 637 637 VAL VAL A . n A 1 556 PRO 556 638 638 PRO PRO A . n A 1 557 TYR 557 639 639 TYR TYR A . n A 1 558 GLY 558 640 640 GLY GLY A . n A 1 559 ARG 559 641 641 ARG ARG A . n A 1 560 PRO 560 642 642 PRO PRO A . n A 1 561 ARG 561 643 643 ARG ARG A . n A 1 562 ILE 562 644 644 ILE ILE A . n A 1 563 LEU 563 645 645 LEU LEU A . n A 1 564 LEU 564 646 646 LEU LEU A . n A 1 565 LYS 565 647 647 LYS LYS A . n A 1 566 GLN 566 648 648 GLN GLN A . n A 1 567 HIS 567 649 649 HIS HIS A . n A 1 568 ARG 568 650 650 ARG ARG A . n A 1 569 VAL 569 651 651 VAL VAL A . n A 1 570 CYS 570 652 652 CYS CYS A . n A 1 571 LEU 571 653 653 LEU LEU A . n A 1 572 LEU 572 654 654 LEU LEU A . n A 1 573 GLN 573 655 655 GLN GLN A . n A 1 574 GLN 574 656 656 GLN GLN A . n A 1 575 GLN 575 657 657 GLN GLN A . n A 1 576 GLN 576 658 658 GLN GLN A . n A 1 577 PHE 577 659 659 PHE PHE A . n A 1 578 LEU 578 660 660 LEU LEU A . n A 1 579 THR 579 661 661 THR THR A . n A 1 580 GLY 580 662 662 GLY GLY A . n A 1 581 TYR 581 663 663 TYR TYR A . n A 1 582 SER 582 664 664 SER SER A . n A 1 583 LEU 583 665 665 LEU LEU A . n A 1 584 ASP 584 666 666 ASP ASP A . n A 1 585 LEU 585 667 667 LEU LEU A . n A 1 586 LEU 586 668 668 LEU LEU A . n A 1 587 MSE 587 669 669 MSE MSE A . n A 1 588 PRO 588 670 670 PRO PRO A . n A 1 589 LEU 589 671 671 LEU LEU A . n A 1 590 TRP 590 672 672 TRP TRP A . n A 1 591 ALA 591 673 673 ALA ALA A . n A 1 592 SER 592 674 674 SER SER A . n A 1 593 TYR 593 675 675 TYR TYR A . n A 1 594 THR 594 676 676 THR THR A . n A 1 595 PHE 595 677 677 PHE PHE A . n A 1 596 LEU 596 678 678 LEU LEU A . n A 1 597 SER 597 679 679 SER SER A . n A 1 598 ASN 598 680 680 ASN ASN A . n A 1 599 ASP 599 681 681 ASP ASP A . n A 1 600 GLN 600 682 ? ? ? A . n A 1 601 PHE 601 683 ? ? ? A . n A 1 602 SER 602 684 ? ? ? A . n A 1 603 ARG 603 685 ? ? ? A . n A 1 604 ASP 604 686 ? ? ? A . n A 1 605 ASP 605 687 ? ? ? A . n A 1 606 PHE 606 688 ? ? ? A . n A 1 607 SER 607 689 689 SER SER A . n A 1 608 ASN 608 690 690 ASN ASN A . n A 1 609 CYS 609 691 691 CYS CYS A . n A 1 610 LEU 610 692 692 LEU LEU A . n A 1 611 TYR 611 693 693 TYR TYR A . n A 1 612 GLN 612 694 694 GLN GLN A . n A 1 613 ASP 613 695 695 ASP ASP A . n A 1 614 LEU 614 696 696 LEU LEU A . n A 1 615 ARG 615 697 697 ARG ARG A . n A 1 616 ILE 616 698 698 ILE ILE A . n A 1 617 PRO 617 699 699 PRO PRO A . n A 1 618 LEU 618 700 700 LEU LEU A . n A 1 619 SER 619 701 701 SER SER A . n A 1 620 PRO 620 702 702 PRO PRO A . n A 1 621 VAL 621 703 703 VAL VAL A . n A 1 622 HIS 622 704 704 HIS HIS A . n A 1 623 LYS 623 705 705 LYS LYS A . n A 1 624 CYS 624 706 706 CYS CYS A . n A 1 625 SER 625 707 707 SER SER A . n A 1 626 TYR 626 708 708 TYR TYR A . n A 1 627 TYR 627 709 709 TYR TYR A . n A 1 628 LYS 628 710 710 LYS LYS A . n A 1 629 SER 629 711 711 SER SER A . n A 1 630 ASN 630 712 712 ASN ASN A . n A 1 631 SER 631 713 713 SER SER A . n A 1 632 LYS 632 714 714 LYS LYS A . n A 1 633 LEU 633 715 715 LEU LEU A . n A 1 634 SER 634 716 716 SER SER A . n A 1 635 TYR 635 717 717 TYR TYR A . n A 1 636 GLY 636 718 718 GLY GLY A . n A 1 637 PHE 637 719 719 PHE PHE A . n A 1 638 LEU 638 720 720 LEU LEU A . n A 1 639 THR 639 721 721 THR THR A . n A 1 640 PRO 640 722 722 PRO PRO A . n A 1 641 PRO 641 723 723 PRO PRO A . n A 1 642 ARG 642 724 724 ARG ARG A . n A 1 643 LEU 643 725 725 LEU LEU A . n A 1 644 ASN 644 726 726 ASN ASN A . n A 1 645 ARG 645 727 ? ? ? A . n A 1 646 VAL 646 728 ? ? ? A . n A 1 647 SER 647 729 ? ? ? A . n A 1 648 ASN 648 730 ? ? ? A . n A 1 649 HIS 649 731 731 HIS HIS A . n A 1 650 ILE 650 732 732 ILE ILE A . n A 1 651 TYR 651 733 733 TYR TYR A . n A 1 652 SER 652 734 734 SER SER A . n A 1 653 GLU 653 735 735 GLU GLU A . n A 1 654 ALA 654 736 736 ALA ALA A . n A 1 655 LEU 655 737 737 LEU LEU A . n A 1 656 LEU 656 738 738 LEU LEU A . n A 1 657 THR 657 739 739 THR THR A . n A 1 658 SER 658 740 740 SER SER A . n A 1 659 ASN 659 741 741 ASN ASN A . n A 1 660 ILE 660 742 742 ILE ILE A . n A 1 661 VAL 661 743 743 VAL VAL A . n A 1 662 PRO 662 744 744 PRO PRO A . n A 1 663 MSE 663 745 745 MSE MSE A . n A 1 664 TYR 664 746 746 TYR TYR A . n A 1 665 GLN 665 747 747 GLN GLN A . n A 1 666 SER 666 748 748 SER SER A . n A 1 667 PHE 667 749 749 PHE PHE A . n A 1 668 GLN 668 750 750 GLN GLN A . n A 1 669 VAL 669 751 751 VAL VAL A . n A 1 670 ILE 670 752 752 ILE ILE A . n A 1 671 TRP 671 753 753 TRP TRP A . n A 1 672 HIS 672 754 754 HIS HIS A . n A 1 673 TYR 673 755 755 TYR TYR A . n A 1 674 LEU 674 756 756 LEU LEU A . n A 1 675 HIS 675 757 757 HIS HIS A . n A 1 676 ASP 676 758 758 ASP ASP A . n A 1 677 THR 677 759 759 THR THR A . n A 1 678 LEU 678 760 760 LEU LEU A . n A 1 679 LEU 679 761 761 LEU LEU A . n A 1 680 GLN 680 762 762 GLN GLN A . n A 1 681 ARG 681 763 763 ARG ARG A . n A 1 682 TYR 682 764 764 TYR TYR A . n A 1 683 ALA 683 765 765 ALA ALA A . n A 1 684 HIS 684 766 766 HIS HIS A . n A 1 685 GLU 685 767 767 GLU GLU A . n A 1 686 ARG 686 768 768 ARG ARG A . n A 1 687 ASN 687 769 769 ASN ASN A . n A 1 688 GLY 688 770 770 GLY GLY A . n A 1 689 ILE 689 771 771 ILE ILE A . n A 1 690 ASN 690 772 772 ASN ASN A . n A 1 691 VAL 691 773 773 VAL VAL A . n A 1 692 VAL 692 774 774 VAL VAL A . n A 1 693 SER 693 775 775 SER SER A . n A 1 694 GLY 694 776 776 GLY GLY A . n A 1 695 PRO 695 777 777 PRO PRO A . n A 1 696 VAL 696 778 778 VAL VAL A . n A 1 697 PHE 697 779 779 PHE PHE A . n A 1 698 ASP 698 780 780 ASP ASP A . n A 1 699 PHE 699 781 781 PHE PHE A . n A 1 700 ASP 700 782 782 ASP ASP A . n A 1 701 TYR 701 783 783 TYR TYR A . n A 1 702 ASP 702 784 784 ASP ASP A . n A 1 703 GLY 703 785 785 GLY GLY A . n A 1 704 ARG 704 786 786 ARG ARG A . n A 1 705 TYR 705 787 787 TYR TYR A . n A 1 706 ASP 706 788 788 ASP ASP A . n A 1 707 SER 707 789 789 SER SER A . n A 1 708 LEU 708 790 790 LEU LEU A . n A 1 709 GLU 709 791 791 GLU GLU A . n A 1 710 ILE 710 792 792 ILE ILE A . n A 1 711 LEU 711 793 793 LEU LEU A . n A 1 712 LYS 712 794 794 LYS LYS A . n A 1 713 GLN 713 795 795 GLN GLN A . n A 1 714 ASN 714 796 796 ASN ASN A . n A 1 715 SER 715 797 797 SER SER A . n A 1 716 ARG 716 798 798 ARG ARG A . n A 1 717 VAL 717 799 799 VAL VAL A . n A 1 718 ILE 718 800 800 ILE ILE A . n A 1 719 ARG 719 801 801 ARG ARG A . n A 1 720 SER 720 802 802 SER SER A . n A 1 721 GLN 721 803 803 GLN GLN A . n A 1 722 GLU 722 804 804 GLU GLU A . n A 1 723 ILE 723 805 805 ILE ILE A . n A 1 724 LEU 724 806 806 LEU LEU A . n A 1 725 ILE 725 807 807 ILE ILE A . n A 1 726 PRO 726 808 808 PRO PRO A . n A 1 727 THR 727 809 809 THR THR A . n A 1 728 HIS 728 810 810 HIS HIS A . n A 1 729 PHE 729 811 811 PHE PHE A . n A 1 730 PHE 730 812 812 PHE PHE A . n A 1 731 ILE 731 813 813 ILE ILE A . n A 1 732 VAL 732 814 814 VAL VAL A . n A 1 733 LEU 733 815 815 LEU LEU A . n A 1 734 THR 734 816 816 THR THR A . n A 1 735 SER 735 817 817 SER SER A . n A 1 736 CYS 736 818 818 CYS CYS A . n A 1 737 LYS 737 819 819 LYS LYS A . n A 1 738 GLN 738 820 820 GLN GLN A . n A 1 739 LEU 739 821 821 LEU LEU A . n A 1 740 SER 740 822 822 SER SER A . n A 1 741 GLU 741 823 823 GLU GLU A . n A 1 742 THR 742 824 824 THR THR A . n A 1 743 PRO 743 825 825 PRO PRO A . n A 1 744 LEU 744 826 826 LEU LEU A . n A 1 745 GLU 745 827 827 GLU GLU A . n A 1 746 CYS 746 828 828 CYS CYS A . n A 1 747 SER 747 829 829 SER SER A . n A 1 748 ALA 748 830 830 ALA ALA A . n A 1 749 LEU 749 831 831 LEU LEU A . n A 1 750 GLU 750 832 832 GLU GLU A . n A 1 751 SER 751 833 833 SER SER A . n A 1 752 SER 752 834 834 SER SER A . n A 1 753 ALA 753 835 835 ALA ALA A . n A 1 754 TYR 754 836 836 TYR TYR A . n A 1 755 ILE 755 837 837 ILE ILE A . n A 1 756 LEU 756 838 838 LEU LEU A . n A 1 757 PRO 757 839 839 PRO PRO A . n A 1 758 HIS 758 840 840 HIS HIS A . n A 1 759 ARG 759 841 841 ARG ARG A . n A 1 760 PRO 760 842 842 PRO PRO A . n A 1 761 ASP 761 843 843 ASP ASP A . n A 1 762 ASN 762 844 844 ASN ASN A . n A 1 763 ILE 763 845 845 ILE ILE A . n A 1 764 GLU 764 846 846 GLU GLU A . n A 1 765 SER 765 847 847 SER SER A . n A 1 766 CYS 766 848 848 CYS CYS A . n A 1 767 THR 767 849 849 THR THR A . n A 1 768 HIS 768 850 850 HIS HIS A . n A 1 769 GLY 769 851 851 GLY GLY A . n A 1 770 LYS 770 852 852 LYS LYS A . n A 1 771 ARG 771 853 853 ARG ARG A . n A 1 772 GLU 772 854 854 GLU GLU A . n A 1 773 SER 773 855 855 SER SER A . n A 1 774 SER 774 856 856 SER SER A . n A 1 775 TRP 775 857 857 TRP TRP A . n A 1 776 VAL 776 858 858 VAL VAL A . n A 1 777 GLU 777 859 859 GLU GLU A . n A 1 778 GLU 778 860 860 GLU GLU A . n A 1 779 LEU 779 861 861 LEU LEU A . n A 1 780 LEU 780 862 862 LEU LEU A . n A 1 781 THR 781 863 863 THR THR A . n A 1 782 LEU 782 864 864 LEU LEU A . n A 1 783 HIS 783 865 865 HIS HIS A . n A 1 784 ARG 784 866 866 ARG ARG A . n A 1 785 ALA 785 867 867 ALA ALA A . n A 1 786 ARG 786 868 868 ARG ARG A . n A 1 787 VAL 787 869 869 VAL VAL A . n A 1 788 THR 788 870 870 THR THR A . n A 1 789 ASP 789 871 871 ASP ASP A . n A 1 790 VAL 790 872 872 VAL VAL A . n A 1 791 GLU 791 873 873 GLU GLU A . n A 1 792 LEU 792 874 874 LEU LEU A . n A 1 793 ILE 793 875 875 ILE ILE A . n A 1 794 THR 794 876 876 THR THR A . n A 1 795 GLY 795 877 877 GLY GLY A . n A 1 796 LEU 796 878 878 LEU LEU A . n A 1 797 SER 797 879 879 SER SER A . n A 1 798 PHE 798 880 880 PHE PHE A . n A 1 799 TYR 799 881 881 TYR TYR A . n A 1 800 GLN 800 882 882 GLN GLN A . n A 1 801 ASP 801 883 883 ASP ASP A . n A 1 802 ARG 802 884 884 ARG ARG A . n A 1 803 GLN 803 885 885 GLN GLN A . n A 1 804 GLU 804 886 886 GLU GLU A . n A 1 805 SER 805 887 887 SER SER A . n A 1 806 VAL 806 888 888 VAL VAL A . n A 1 807 SER 807 889 889 SER SER A . n A 1 808 GLU 808 890 890 GLU GLU A . n A 1 809 LEU 809 891 891 LEU LEU A . n A 1 810 LEU 810 892 892 LEU LEU A . n A 1 811 ARG 811 893 893 ARG ARG A . n A 1 812 LEU 812 894 894 LEU LEU A . n A 1 813 LYS 813 895 895 LYS LYS A . n A 1 814 THR 814 896 896 THR THR A . n A 1 815 HIS 815 897 897 HIS HIS A . n A 1 816 LEU 816 898 898 LEU LEU A . n A 1 817 PRO 817 899 899 PRO PRO A . n A 1 818 ILE 818 900 900 ILE ILE A . n A 1 819 PHE 819 901 901 PHE PHE A . n A 1 820 SER 820 902 902 SER SER A . n A 1 821 GLN 821 903 ? ? ? A . n A 1 822 GLU 822 904 ? ? ? A . n A 1 823 ASP 823 905 ? ? ? A . n B 1 1 TRP 1 51 ? ? ? B . n B 1 2 THR 2 52 ? ? ? B . n B 1 3 ASN 3 53 ? ? ? B . n B 1 4 THR 4 54 ? ? ? B . n B 1 5 SER 5 55 ? ? ? B . n B 1 6 GLY 6 56 ? ? ? B . n B 1 7 SER 7 57 ? ? ? B . n B 1 8 CYS 8 58 ? ? ? B . n B 1 9 ARG 9 59 ? ? ? B . n B 1 10 GLY 10 92 ? ? ? B . n B 1 11 ARG 11 93 ? ? ? B . n B 1 12 CYS 12 94 ? ? ? B . n B 1 13 PHE 13 95 ? ? ? B . n B 1 14 GLU 14 96 ? ? ? B . n B 1 15 ARG 15 97 ? ? ? B . n B 1 16 THR 16 98 ? ? ? B . n B 1 17 PHE 17 99 ? ? ? B . n B 1 18 SER 18 100 ? ? ? B . n B 1 19 ASN 19 101 ? ? ? B . n B 1 20 CYS 20 102 ? ? ? B . n B 1 21 ARG 21 103 ? ? ? B . n B 1 22 CYS 22 104 ? ? ? B . n B 1 23 ASP 23 105 ? ? ? B . n B 1 24 ALA 24 106 ? ? ? B . n B 1 25 ALA 25 107 ? ? ? B . n B 1 26 CYS 26 108 ? ? ? B . n B 1 27 VAL 27 109 ? ? ? B . n B 1 28 SER 28 110 ? ? ? B . n B 1 29 LEU 29 111 ? ? ? B . n B 1 30 GLY 30 112 ? ? ? B . n B 1 31 ASN 31 113 ? ? ? B . n B 1 32 CYS 32 114 ? ? ? B . n B 1 33 CYS 33 115 ? ? ? B . n B 1 34 LEU 34 116 ? ? ? B . n B 1 35 ASP 35 117 ? ? ? B . n B 1 36 PHE 36 118 ? ? ? B . n B 1 37 GLN 37 119 ? ? ? B . n B 1 38 GLU 38 120 ? ? ? B . n B 1 39 THR 39 121 ? ? ? B . n B 1 40 CYS 40 122 ? ? ? B . n B 1 41 VAL 41 123 ? ? ? B . n B 1 42 GLU 42 124 ? ? ? B . n B 1 43 PRO 43 125 ? ? ? B . n B 1 44 THR 44 126 ? ? ? B . n B 1 45 HIS 45 127 ? ? ? B . n B 1 46 ILE 46 128 ? ? ? B . n B 1 47 TRP 47 129 ? ? ? B . n B 1 48 THR 48 130 ? ? ? B . n B 1 49 CYS 49 131 ? ? ? B . n B 1 50 ASN 50 132 ? ? ? B . n B 1 51 LYS 51 133 ? ? ? B . n B 1 52 PHE 52 134 ? ? ? B . n B 1 53 ARG 53 135 ? ? ? B . n B 1 54 CYS 54 136 ? ? ? B . n B 1 55 GLY 55 137 ? ? ? B . n B 1 56 GLU 56 138 ? ? ? B . n B 1 57 LYS 57 139 ? ? ? B . n B 1 58 ARG 58 140 ? ? ? B . n B 1 59 LEU 59 141 ? ? ? B . n B 1 60 SER 60 142 ? ? ? B . n B 1 61 ARG 61 143 ? ? ? B . n B 1 62 PHE 62 144 ? ? ? B . n B 1 63 VAL 63 145 ? ? ? B . n B 1 64 CYS 64 146 ? ? ? B . n B 1 65 SER 65 147 ? ? ? B . n B 1 66 CYS 66 148 ? ? ? B . n B 1 67 ALA 67 149 ? ? ? B . n B 1 68 ASP 68 150 ? ? ? B . n B 1 69 ASP 69 151 ? ? ? B . n B 1 70 CYS 70 152 ? ? ? B . n B 1 71 LYS 71 153 ? ? ? B . n B 1 72 THR 72 154 ? ? ? B . n B 1 73 HIS 73 155 ? ? ? B . n B 1 74 ASN 74 156 ? ? ? B . n B 1 75 ASP 75 157 ? ? ? B . n B 1 76 CYS 76 158 ? ? ? B . n B 1 77 CYS 77 159 ? ? ? B . n B 1 78 ILE 78 160 ? ? ? B . n B 1 79 ASN 79 161 ? ? ? B . n B 1 80 TYR 80 162 ? ? ? B . n B 1 81 SER 81 163 ? ? ? B . n B 1 82 SER 82 164 ? ? ? B . n B 1 83 VAL 83 165 ? ? ? B . n B 1 84 CYS 84 166 ? ? ? B . n B 1 85 GLN 85 167 ? ? ? B . n B 1 86 ASP 86 168 ? ? ? B . n B 1 87 LYS 87 169 ? ? ? B . n B 1 88 LYS 88 170 170 LYS LYS B . n B 1 89 SER 89 171 171 SER SER B . n B 1 90 TRP 90 172 172 TRP TRP B . n B 1 91 VAL 91 173 173 VAL VAL B . n B 1 92 GLU 92 174 174 GLU GLU B . n B 1 93 GLU 93 175 175 GLU GLU B . n B 1 94 THR 94 176 176 THR THR B . n B 1 95 CYS 95 177 177 CYS CYS B . n B 1 96 GLU 96 178 178 GLU GLU B . n B 1 97 SER 97 179 179 SER SER B . n B 1 98 ILE 98 180 180 ILE ILE B . n B 1 99 ASP 99 181 181 ASP ASP B . n B 1 100 THR 100 182 182 THR THR B . n B 1 101 PRO 101 183 183 PRO PRO B . n B 1 102 GLU 102 184 184 GLU GLU B . n B 1 103 CYS 103 185 185 CYS CYS B . n B 1 104 PRO 104 186 186 PRO PRO B . n B 1 105 ALA 105 187 187 ALA ALA B . n B 1 106 GLU 106 188 188 GLU GLU B . n B 1 107 PHE 107 189 189 PHE PHE B . n B 1 108 GLU 108 190 190 GLU GLU B . n B 1 109 SER 109 191 191 SER SER B . n B 1 110 PRO 110 192 192 PRO PRO B . n B 1 111 PRO 111 193 193 PRO PRO B . n B 1 112 THR 112 194 194 THR THR B . n B 1 113 LEU 113 195 195 LEU LEU B . n B 1 114 LEU 114 196 196 LEU LEU B . n B 1 115 PHE 115 197 197 PHE PHE B . n B 1 116 SER 116 198 198 SER SER B . n B 1 117 LEU 117 199 199 LEU LEU B . n B 1 118 ASP 118 200 200 ASP ASP B . n B 1 119 GLY 119 201 201 GLY GLY B . n B 1 120 PHE 120 202 202 PHE PHE B . n B 1 121 ARG 121 203 203 ARG ARG B . n B 1 122 ALA 122 204 204 ALA ALA B . n B 1 123 GLU 123 205 205 GLU GLU B . n B 1 124 TYR 124 206 206 TYR TYR B . n B 1 125 LEU 125 207 207 LEU LEU B . n B 1 126 HIS 126 208 208 HIS HIS B . n B 1 127 THR 127 209 209 THR THR B . n B 1 128 TRP 128 210 210 TRP TRP B . n B 1 129 GLY 129 211 211 GLY GLY B . n B 1 130 GLY 130 212 212 GLY GLY B . n B 1 131 LEU 131 213 213 LEU LEU B . n B 1 132 LEU 132 214 214 LEU LEU B . n B 1 133 PRO 133 215 215 PRO PRO B . n B 1 134 VAL 134 216 216 VAL VAL B . n B 1 135 ILE 135 217 217 ILE ILE B . n B 1 136 SER 136 218 218 SER SER B . n B 1 137 LYS 137 219 219 LYS LYS B . n B 1 138 LEU 138 220 220 LEU LEU B . n B 1 139 LYS 139 221 221 LYS LYS B . n B 1 140 ASN 140 222 222 ASN ASN B . n B 1 141 CYS 141 223 223 CYS CYS B . n B 1 142 GLY 142 224 224 GLY GLY B . n B 1 143 THR 143 225 225 THR THR B . n B 1 144 TYR 144 226 226 TYR TYR B . n B 1 145 THR 145 227 227 THR THR B . n B 1 146 LYS 146 228 228 LYS LYS B . n B 1 147 ASN 147 229 229 ASN ASN B . n B 1 148 MSE 148 230 230 MSE MSE B . n B 1 149 ARG 149 231 231 ARG ARG B . n B 1 150 PRO 150 232 232 PRO PRO B . n B 1 151 MSE 151 233 233 MSE MSE B . n B 1 152 TYR 152 234 234 TYR TYR B . n B 1 153 PRO 153 235 235 PRO PRO B . n B 1 154 THR 154 236 236 THR THR B . n B 1 155 LYS 155 237 237 LYS LYS B . n B 1 156 THR 156 238 238 THR THR B . n B 1 157 PHE 157 239 239 PHE PHE B . n B 1 158 PRO 158 240 240 PRO PRO B . n B 1 159 ASN 159 241 241 ASN ASN B . n B 1 160 HIS 160 242 242 HIS HIS B . n B 1 161 TYR 161 243 243 TYR TYR B . n B 1 162 SER 162 244 244 SER SER B . n B 1 163 ILE 163 245 245 ILE ILE B . n B 1 164 VAL 164 246 246 VAL VAL B . n B 1 165 THR 165 247 247 THR THR B . n B 1 166 GLY 166 248 248 GLY GLY B . n B 1 167 LEU 167 249 249 LEU LEU B . n B 1 168 TYR 168 250 250 TYR TYR B . n B 1 169 PRO 169 251 251 PRO PRO B . n B 1 170 GLU 170 252 252 GLU GLU B . n B 1 171 SER 171 253 253 SER SER B . n B 1 172 HIS 172 254 254 HIS HIS B . n B 1 173 GLY 173 255 255 GLY GLY B . n B 1 174 ILE 174 256 256 ILE ILE B . n B 1 175 ILE 175 257 257 ILE ILE B . n B 1 176 ASP 176 258 258 ASP ASP B . n B 1 177 ASN 177 259 259 ASN ASN B . n B 1 178 LYS 178 260 260 LYS LYS B . n B 1 179 MSE 179 261 261 MSE MSE B . n B 1 180 TYR 180 262 262 TYR TYR B . n B 1 181 ASP 181 263 263 ASP ASP B . n B 1 182 PRO 182 264 264 PRO PRO B . n B 1 183 LYS 183 265 265 LYS LYS B . n B 1 184 MSE 184 266 266 MSE MSE B . n B 1 185 ASN 185 267 267 ASN ASN B . n B 1 186 ALA 186 268 268 ALA ALA B . n B 1 187 SER 187 269 269 SER SER B . n B 1 188 PHE 188 270 270 PHE PHE B . n B 1 189 SER 189 271 271 SER SER B . n B 1 190 LEU 190 272 272 LEU LEU B . n B 1 191 LYS 191 273 273 LYS LYS B . n B 1 192 SER 192 274 274 SER SER B . n B 1 193 LYS 193 275 275 LYS LYS B . n B 1 194 GLU 194 276 276 GLU GLU B . n B 1 195 LYS 195 277 277 LYS LYS B . n B 1 196 PHE 196 278 278 PHE PHE B . n B 1 197 ASN 197 279 279 ASN ASN B . n B 1 198 PRO 198 280 280 PRO PRO B . n B 1 199 LEU 199 281 281 LEU LEU B . n B 1 200 TRP 200 282 282 TRP TRP B . n B 1 201 TYR 201 283 283 TYR TYR B . n B 1 202 LYS 202 284 284 LYS LYS B . n B 1 203 GLY 203 285 285 GLY GLY B . n B 1 204 GLN 204 286 286 GLN GLN B . n B 1 205 PRO 205 287 287 PRO PRO B . n B 1 206 ILE 206 288 288 ILE ILE B . n B 1 207 TRP 207 289 289 TRP TRP B . n B 1 208 VAL 208 290 290 VAL VAL B . n B 1 209 THR 209 291 291 THR THR B . n B 1 210 ALA 210 292 292 ALA ALA B . n B 1 211 ASN 211 293 293 ASN ASN B . n B 1 212 HIS 212 294 294 HIS HIS B . n B 1 213 GLN 213 295 295 GLN GLN B . n B 1 214 GLU 214 296 296 GLU GLU B . n B 1 215 VAL 215 297 297 VAL VAL B . n B 1 216 LYS 216 298 298 LYS LYS B . n B 1 217 SER 217 299 299 SER SER B . n B 1 218 GLY 218 300 300 GLY GLY B . n B 1 219 THR 219 301 301 THR THR B . n B 1 220 TYR 220 302 302 TYR TYR B . n B 1 221 PHE 221 303 303 PHE PHE B . n B 1 222 TRP 222 304 304 TRP TRP B . n B 1 223 PRO 223 305 305 PRO PRO B . n B 1 224 GLY 224 306 306 GLY GLY B . n B 1 225 SER 225 307 307 SER SER B . n B 1 226 ASP 226 308 308 ASP ASP B . n B 1 227 VAL 227 309 309 VAL VAL B . n B 1 228 GLU 228 310 310 GLU GLU B . n B 1 229 ILE 229 311 311 ILE ILE B . n B 1 230 ASP 230 312 312 ASP ASP B . n B 1 231 GLY 231 313 313 GLY GLY B . n B 1 232 ILE 232 314 314 ILE ILE B . n B 1 233 LEU 233 315 315 LEU LEU B . n B 1 234 PRO 234 316 316 PRO PRO B . n B 1 235 ASP 235 317 317 ASP ASP B . n B 1 236 ILE 236 318 318 ILE ILE B . n B 1 237 TYR 237 319 319 TYR TYR B . n B 1 238 LYS 238 320 320 LYS LYS B . n B 1 239 VAL 239 321 321 VAL VAL B . n B 1 240 TYR 240 322 322 TYR TYR B . n B 1 241 ASN 241 323 323 ASN ASN B . n B 1 242 GLY 242 324 324 GLY GLY B . n B 1 243 SER 243 325 325 SER SER B . n B 1 244 VAL 244 326 326 VAL VAL B . n B 1 245 PRO 245 327 327 PRO PRO B . n B 1 246 PHE 246 328 328 PHE PHE B . n B 1 247 GLU 247 329 329 GLU GLU B . n B 1 248 GLU 248 330 330 GLU GLU B . n B 1 249 ARG 249 331 331 ARG ARG B . n B 1 250 ILE 250 332 332 ILE ILE B . n B 1 251 LEU 251 333 333 LEU LEU B . n B 1 252 ALA 252 334 334 ALA ALA B . n B 1 253 VAL 253 335 335 VAL VAL B . n B 1 254 LEU 254 336 336 LEU LEU B . n B 1 255 GLU 255 337 337 GLU GLU B . n B 1 256 TRP 256 338 338 TRP TRP B . n B 1 257 LEU 257 339 339 LEU LEU B . n B 1 258 GLN 258 340 340 GLN GLN B . n B 1 259 LEU 259 341 341 LEU LEU B . n B 1 260 PRO 260 342 342 PRO PRO B . n B 1 261 SER 261 343 343 SER SER B . n B 1 262 HIS 262 344 344 HIS HIS B . n B 1 263 GLU 263 345 345 GLU GLU B . n B 1 264 ARG 264 346 346 ARG ARG B . n B 1 265 PRO 265 347 347 PRO PRO B . n B 1 266 HIS 266 348 348 HIS HIS B . n B 1 267 PHE 267 349 349 PHE PHE B . n B 1 268 TYR 268 350 350 TYR TYR B . n B 1 269 THR 269 351 351 THR THR B . n B 1 270 LEU 270 352 352 LEU LEU B . n B 1 271 TYR 271 353 353 TYR TYR B . n B 1 272 LEU 272 354 354 LEU LEU B . n B 1 273 GLU 273 355 355 GLU GLU B . n B 1 274 GLU 274 356 356 GLU GLU B . n B 1 275 PRO 275 357 357 PRO PRO B . n B 1 276 ASP 276 358 358 ASP ASP B . n B 1 277 SER 277 359 359 SER SER B . n B 1 278 SER 278 360 360 SER SER B . n B 1 279 GLY 279 361 361 GLY GLY B . n B 1 280 HIS 280 362 362 HIS HIS B . n B 1 281 SER 281 363 363 SER SER B . n B 1 282 HIS 282 364 364 HIS HIS B . n B 1 283 GLY 283 365 365 GLY GLY B . n B 1 284 PRO 284 366 366 PRO PRO B . n B 1 285 VAL 285 367 367 VAL VAL B . n B 1 286 SER 286 368 368 SER SER B . n B 1 287 SER 287 369 369 SER SER B . n B 1 288 GLU 288 370 370 GLU GLU B . n B 1 289 VAL 289 371 371 VAL VAL B . n B 1 290 ILE 290 372 372 ILE ILE B . n B 1 291 LYS 291 373 373 LYS LYS B . n B 1 292 ALA 292 374 374 ALA ALA B . n B 1 293 LEU 293 375 375 LEU LEU B . n B 1 294 GLN 294 376 376 GLN GLN B . n B 1 295 LYS 295 377 377 LYS LYS B . n B 1 296 VAL 296 378 378 VAL VAL B . n B 1 297 ASP 297 379 379 ASP ASP B . n B 1 298 ARG 298 380 380 ARG ARG B . n B 1 299 LEU 299 381 381 LEU LEU B . n B 1 300 VAL 300 382 382 VAL VAL B . n B 1 301 GLY 301 383 383 GLY GLY B . n B 1 302 MSE 302 384 384 MSE MSE B . n B 1 303 LEU 303 385 385 LEU LEU B . n B 1 304 MSE 304 386 386 MSE MSE B . n B 1 305 ASP 305 387 387 ASP ASP B . n B 1 306 GLY 306 388 388 GLY GLY B . n B 1 307 LEU 307 389 389 LEU LEU B . n B 1 308 LYS 308 390 390 LYS LYS B . n B 1 309 ASP 309 391 391 ASP ASP B . n B 1 310 LEU 310 392 392 LEU LEU B . n B 1 311 GLY 311 393 393 GLY GLY B . n B 1 312 LEU 312 394 394 LEU LEU B . n B 1 313 ASP 313 395 395 ASP ASP B . n B 1 314 LYS 314 396 396 LYS LYS B . n B 1 315 CYS 315 397 397 CYS CYS B . n B 1 316 LEU 316 398 398 LEU LEU B . n B 1 317 ASN 317 399 399 ASN ASN B . n B 1 318 LEU 318 400 400 LEU LEU B . n B 1 319 ILE 319 401 401 ILE ILE B . n B 1 320 LEU 320 402 402 LEU LEU B . n B 1 321 ILE 321 403 403 ILE ILE B . n B 1 322 SER 322 404 404 SER SER B . n B 1 323 ASP 323 405 405 ASP ASP B . n B 1 324 HIS 324 406 406 HIS HIS B . n B 1 325 GLY 325 407 407 GLY GLY B . n B 1 326 MSE 326 408 408 MSE MSE B . n B 1 327 GLU 327 409 409 GLU GLU B . n B 1 328 GLN 328 410 410 GLN GLN B . n B 1 329 GLY 329 411 411 GLY GLY B . n B 1 330 SER 330 412 412 SER SER B . n B 1 331 CYS 331 413 413 CYS CYS B . n B 1 332 LYS 332 414 414 LYS LYS B . n B 1 333 LYS 333 415 415 LYS LYS B . n B 1 334 TYR 334 416 416 TYR TYR B . n B 1 335 VAL 335 417 417 VAL VAL B . n B 1 336 TYR 336 418 418 TYR TYR B . n B 1 337 LEU 337 419 419 LEU LEU B . n B 1 338 ASN 338 420 420 ASN ASN B . n B 1 339 LYS 339 421 421 LYS LYS B . n B 1 340 TYR 340 422 422 TYR TYR B . n B 1 341 LEU 341 423 423 LEU LEU B . n B 1 342 GLY 342 424 424 GLY GLY B . n B 1 343 ASP 343 425 425 ASP ASP B . n B 1 344 VAL 344 426 426 VAL VAL B . n B 1 345 ASN 345 427 427 ASN ASN B . n B 1 346 ASN 346 428 428 ASN ASN B . n B 1 347 VAL 347 429 429 VAL VAL B . n B 1 348 LYS 348 430 430 LYS LYS B . n B 1 349 VAL 349 431 431 VAL VAL B . n B 1 350 VAL 350 432 432 VAL VAL B . n B 1 351 TYR 351 433 433 TYR TYR B . n B 1 352 GLY 352 434 434 GLY GLY B . n B 1 353 PRO 353 435 435 PRO PRO B . n B 1 354 ALA 354 436 436 ALA ALA B . n B 1 355 ALA 355 437 437 ALA ALA B . n B 1 356 ARG 356 438 438 ARG ARG B . n B 1 357 LEU 357 439 439 LEU LEU B . n B 1 358 ARG 358 440 440 ARG ARG B . n B 1 359 PRO 359 441 441 PRO PRO B . n B 1 360 THR 360 442 442 THR THR B . n B 1 361 ASP 361 443 443 ASP ASP B . n B 1 362 VAL 362 444 444 VAL VAL B . n B 1 363 PRO 363 445 445 PRO PRO B . n B 1 364 GLU 364 446 446 GLU GLU B . n B 1 365 THR 365 447 447 THR THR B . n B 1 366 TYR 366 448 448 TYR TYR B . n B 1 367 TYR 367 449 449 TYR TYR B . n B 1 368 SER 368 450 450 SER SER B . n B 1 369 PHE 369 451 451 PHE PHE B . n B 1 370 ASN 370 452 452 ASN ASN B . n B 1 371 TYR 371 453 453 TYR TYR B . n B 1 372 GLU 372 454 454 GLU GLU B . n B 1 373 ALA 373 455 455 ALA ALA B . n B 1 374 LEU 374 456 456 LEU LEU B . n B 1 375 ALA 375 457 457 ALA ALA B . n B 1 376 LYS 376 458 458 LYS LYS B . n B 1 377 ASN 377 459 459 ASN ASN B . n B 1 378 LEU 378 460 460 LEU LEU B . n B 1 379 SER 379 461 461 SER SER B . n B 1 380 CYS 380 462 462 CYS CYS B . n B 1 381 ARG 381 463 463 ARG ARG B . n B 1 382 GLU 382 464 464 GLU GLU B . n B 1 383 PRO 383 465 465 PRO PRO B . n B 1 384 ASN 384 466 466 ASN ASN B . n B 1 385 GLN 385 467 467 GLN GLN B . n B 1 386 HIS 386 468 468 HIS HIS B . n B 1 387 PHE 387 469 469 PHE PHE B . n B 1 388 ARG 388 470 470 ARG ARG B . n B 1 389 PRO 389 471 471 PRO PRO B . n B 1 390 TYR 390 472 472 TYR TYR B . n B 1 391 LEU 391 473 473 LEU LEU B . n B 1 392 LYS 392 474 474 LYS LYS B . n B 1 393 PRO 393 475 475 PRO PRO B . n B 1 394 PHE 394 476 476 PHE PHE B . n B 1 395 LEU 395 477 477 LEU LEU B . n B 1 396 PRO 396 478 478 PRO PRO B . n B 1 397 LYS 397 479 479 LYS LYS B . n B 1 398 ARG 398 480 480 ARG ARG B . n B 1 399 LEU 399 481 481 LEU LEU B . n B 1 400 HIS 400 482 482 HIS HIS B . n B 1 401 PHE 401 483 483 PHE PHE B . n B 1 402 ALA 402 484 484 ALA ALA B . n B 1 403 LYS 403 485 485 LYS LYS B . n B 1 404 SER 404 486 486 SER SER B . n B 1 405 ASP 405 487 487 ASP ASP B . n B 1 406 ARG 406 488 488 ARG ARG B . n B 1 407 ILE 407 489 489 ILE ILE B . n B 1 408 GLU 408 490 490 GLU GLU B . n B 1 409 PRO 409 491 491 PRO PRO B . n B 1 410 LEU 410 492 492 LEU LEU B . n B 1 411 THR 411 493 493 THR THR B . n B 1 412 PHE 412 494 494 PHE PHE B . n B 1 413 TYR 413 495 495 TYR TYR B . n B 1 414 LEU 414 496 496 LEU LEU B . n B 1 415 ASP 415 497 497 ASP ASP B . n B 1 416 PRO 416 498 498 PRO PRO B . n B 1 417 GLN 417 499 499 GLN GLN B . n B 1 418 TRP 418 500 500 TRP TRP B . n B 1 419 GLN 419 501 501 GLN GLN B . n B 1 420 LEU 420 502 502 LEU LEU B . n B 1 421 ALA 421 503 503 ALA ALA B . n B 1 422 LEU 422 504 504 LEU LEU B . n B 1 423 ASN 423 505 505 ASN ASN B . n B 1 424 PRO 424 506 506 PRO PRO B . n B 1 425 SER 425 507 507 SER SER B . n B 1 426 GLU 426 508 ? ? ? B . n B 1 427 ARG 427 509 ? ? ? B . n B 1 428 LYS 428 510 ? ? ? B . n B 1 429 TYR 429 511 511 TYR TYR B . n B 1 430 CYS 430 512 512 CYS CYS B . n B 1 431 GLY 431 513 513 GLY GLY B . n B 1 432 SER 432 514 514 SER SER B . n B 1 433 GLY 433 515 515 GLY GLY B . n B 1 434 PHE 434 516 516 PHE PHE B . n B 1 435 HIS 435 517 517 HIS HIS B . n B 1 436 GLY 436 518 518 GLY GLY B . n B 1 437 SER 437 519 519 SER SER B . n B 1 438 ASP 438 520 520 ASP ASP B . n B 1 439 ASN 439 521 521 ASN ASN B . n B 1 440 LEU 440 522 522 LEU LEU B . n B 1 441 PHE 441 523 523 PHE PHE B . n B 1 442 SER 442 524 524 SER SER B . n B 1 443 ASN 443 525 525 ASN ASN B . n B 1 444 MSE 444 526 526 MSE MSE B . n B 1 445 GLN 445 527 527 GLN GLN B . n B 1 446 ALA 446 528 528 ALA ALA B . n B 1 447 LEU 447 529 529 LEU LEU B . n B 1 448 PHE 448 530 530 PHE PHE B . n B 1 449 ILE 449 531 531 ILE ILE B . n B 1 450 GLY 450 532 532 GLY GLY B . n B 1 451 TYR 451 533 533 TYR TYR B . n B 1 452 GLY 452 534 534 GLY GLY B . n B 1 453 PRO 453 535 535 PRO PRO B . n B 1 454 ALA 454 536 536 ALA ALA B . n B 1 455 PHE 455 537 537 PHE PHE B . n B 1 456 LYS 456 538 538 LYS LYS B . n B 1 457 HIS 457 539 539 HIS HIS B . n B 1 458 GLY 458 540 540 GLY GLY B . n B 1 459 ALA 459 541 541 ALA ALA B . n B 1 460 GLU 460 542 542 GLU GLU B . n B 1 461 VAL 461 543 543 VAL VAL B . n B 1 462 ASP 462 544 544 ASP ASP B . n B 1 463 SER 463 545 545 SER SER B . n B 1 464 PHE 464 546 546 PHE PHE B . n B 1 465 GLU 465 547 547 GLU GLU B . n B 1 466 ASN 466 548 548 ASN ASN B . n B 1 467 ILE 467 549 549 ILE ILE B . n B 1 468 GLU 468 550 550 GLU GLU B . n B 1 469 VAL 469 551 551 VAL VAL B . n B 1 470 TYR 470 552 552 TYR TYR B . n B 1 471 ASN 471 553 553 ASN ASN B . n B 1 472 LEU 472 554 554 LEU LEU B . n B 1 473 MSE 473 555 555 MSE MSE B . n B 1 474 CYS 474 556 556 CYS CYS B . n B 1 475 ASP 475 557 557 ASP ASP B . n B 1 476 LEU 476 558 558 LEU LEU B . n B 1 477 LEU 477 559 559 LEU LEU B . n B 1 478 GLY 478 560 560 GLY GLY B . n B 1 479 LEU 479 561 561 LEU LEU B . n B 1 480 ILE 480 562 562 ILE ILE B . n B 1 481 PRO 481 563 563 PRO PRO B . n B 1 482 ALA 482 564 564 ALA ALA B . n B 1 483 PRO 483 565 565 PRO PRO B . n B 1 484 ASN 484 566 566 ASN ASN B . n B 1 485 ASN 485 567 567 ASN ASN B . n B 1 486 GLY 486 568 568 GLY GLY B . n B 1 487 SER 487 569 569 SER SER B . n B 1 488 HIS 488 570 570 HIS HIS B . n B 1 489 GLY 489 571 571 GLY GLY B . n B 1 490 SER 490 572 572 SER SER B . n B 1 491 LEU 491 573 573 LEU LEU B . n B 1 492 ASN 492 574 574 ASN ASN B . n B 1 493 HIS 493 575 575 HIS HIS B . n B 1 494 LEU 494 576 576 LEU LEU B . n B 1 495 LEU 495 577 577 LEU LEU B . n B 1 496 LYS 496 578 578 LYS LYS B . n B 1 497 LYS 497 579 579 LYS LYS B . n B 1 498 PRO 498 580 580 PRO PRO B . n B 1 499 ILE 499 581 581 ILE ILE B . n B 1 500 TYR 500 582 582 TYR TYR B . n B 1 501 ASN 501 583 583 ASN ASN B . n B 1 502 PRO 502 584 584 PRO PRO B . n B 1 503 SER 503 585 585 SER SER B . n B 1 504 HIS 504 586 586 HIS HIS B . n B 1 505 PRO 505 587 587 PRO PRO B . n B 1 506 LYS 506 588 588 LYS LYS B . n B 1 507 GLU 507 589 589 GLU GLU B . n B 1 508 GLU 508 590 590 GLU GLU B . n B 1 509 GLY 509 591 591 GLY GLY B . n B 1 510 PHE 510 592 592 PHE PHE B . n B 1 511 LEU 511 593 593 LEU LEU B . n B 1 512 SER 512 594 594 SER SER B . n B 1 513 GLN 513 595 595 GLN GLN B . n B 1 514 CYS 514 596 596 CYS CYS B . n B 1 515 PRO 515 597 597 PRO PRO B . n B 1 516 ILE 516 598 598 ILE ILE B . n B 1 517 LYS 517 599 599 LYS LYS B . n B 1 518 SER 518 600 600 SER SER B . n B 1 519 THR 519 601 601 THR THR B . n B 1 520 SER 520 602 602 SER SER B . n B 1 521 ASN 521 603 603 ASN ASN B . n B 1 522 ASP 522 604 604 ASP ASP B . n B 1 523 LEU 523 605 605 LEU LEU B . n B 1 524 GLY 524 606 606 GLY GLY B . n B 1 525 CYS 525 607 607 CYS CYS B . n B 1 526 THR 526 608 608 THR THR B . n B 1 527 CYS 527 609 609 CYS CYS B . n B 1 528 ASP 528 610 610 ASP ASP B . n B 1 529 PRO 529 611 611 PRO PRO B . n B 1 530 TRP 530 612 ? ? ? B . n B 1 531 ILE 531 613 ? ? ? B . n B 1 532 VAL 532 614 ? ? ? B . n B 1 533 PRO 533 615 ? ? ? B . n B 1 534 ILE 534 616 ? ? ? B . n B 1 535 LYS 535 617 ? ? ? B . n B 1 536 ASP 536 618 ? ? ? B . n B 1 537 PHE 537 619 ? ? ? B . n B 1 538 GLU 538 620 ? ? ? B . n B 1 539 LYS 539 621 ? ? ? B . n B 1 540 GLN 540 622 ? ? ? B . n B 1 541 LEU 541 623 ? ? ? B . n B 1 542 ASN 542 624 ? ? ? B . n B 1 543 LEU 543 625 ? ? ? B . n B 1 544 THR 544 626 ? ? ? B . n B 1 545 THR 545 627 ? ? ? B . n B 1 546 GLU 546 628 ? ? ? B . n B 1 547 ASP 547 629 629 ASP ASP B . n B 1 548 ASP 548 630 630 ASP ASP B . n B 1 549 ASP 549 631 631 ASP ASP B . n B 1 550 ILE 550 632 632 ILE ILE B . n B 1 551 TYR 551 633 633 TYR TYR B . n B 1 552 HIS 552 634 634 HIS HIS B . n B 1 553 MSE 553 635 635 MSE MSE B . n B 1 554 THR 554 636 636 THR THR B . n B 1 555 VAL 555 637 637 VAL VAL B . n B 1 556 PRO 556 638 638 PRO PRO B . n B 1 557 TYR 557 639 639 TYR TYR B . n B 1 558 GLY 558 640 640 GLY GLY B . n B 1 559 ARG 559 641 641 ARG ARG B . n B 1 560 PRO 560 642 642 PRO PRO B . n B 1 561 ARG 561 643 643 ARG ARG B . n B 1 562 ILE 562 644 644 ILE ILE B . n B 1 563 LEU 563 645 645 LEU LEU B . n B 1 564 LEU 564 646 646 LEU LEU B . n B 1 565 LYS 565 647 647 LYS LYS B . n B 1 566 GLN 566 648 648 GLN GLN B . n B 1 567 HIS 567 649 649 HIS HIS B . n B 1 568 ARG 568 650 650 ARG ARG B . n B 1 569 VAL 569 651 651 VAL VAL B . n B 1 570 CYS 570 652 652 CYS CYS B . n B 1 571 LEU 571 653 653 LEU LEU B . n B 1 572 LEU 572 654 654 LEU LEU B . n B 1 573 GLN 573 655 655 GLN GLN B . n B 1 574 GLN 574 656 656 GLN GLN B . n B 1 575 GLN 575 657 657 GLN GLN B . n B 1 576 GLN 576 658 658 GLN GLN B . n B 1 577 PHE 577 659 659 PHE PHE B . n B 1 578 LEU 578 660 660 LEU LEU B . n B 1 579 THR 579 661 661 THR THR B . n B 1 580 GLY 580 662 662 GLY GLY B . n B 1 581 TYR 581 663 663 TYR TYR B . n B 1 582 SER 582 664 664 SER SER B . n B 1 583 LEU 583 665 665 LEU LEU B . n B 1 584 ASP 584 666 666 ASP ASP B . n B 1 585 LEU 585 667 667 LEU LEU B . n B 1 586 LEU 586 668 668 LEU LEU B . n B 1 587 MSE 587 669 669 MSE MSE B . n B 1 588 PRO 588 670 670 PRO PRO B . n B 1 589 LEU 589 671 671 LEU LEU B . n B 1 590 TRP 590 672 672 TRP TRP B . n B 1 591 ALA 591 673 673 ALA ALA B . n B 1 592 SER 592 674 674 SER SER B . n B 1 593 TYR 593 675 675 TYR TYR B . n B 1 594 THR 594 676 676 THR THR B . n B 1 595 PHE 595 677 677 PHE PHE B . n B 1 596 LEU 596 678 678 LEU LEU B . n B 1 597 SER 597 679 679 SER SER B . n B 1 598 ASN 598 680 680 ASN ASN B . n B 1 599 ASP 599 681 681 ASP ASP B . n B 1 600 GLN 600 682 ? ? ? B . n B 1 601 PHE 601 683 ? ? ? B . n B 1 602 SER 602 684 ? ? ? B . n B 1 603 ARG 603 685 ? ? ? B . n B 1 604 ASP 604 686 ? ? ? B . n B 1 605 ASP 605 687 ? ? ? B . n B 1 606 PHE 606 688 ? ? ? B . n B 1 607 SER 607 689 ? ? ? B . n B 1 608 ASN 608 690 690 ASN ASN B . n B 1 609 CYS 609 691 691 CYS CYS B . n B 1 610 LEU 610 692 692 LEU LEU B . n B 1 611 TYR 611 693 693 TYR TYR B . n B 1 612 GLN 612 694 694 GLN GLN B . n B 1 613 ASP 613 695 695 ASP ASP B . n B 1 614 LEU 614 696 696 LEU LEU B . n B 1 615 ARG 615 697 697 ARG ARG B . n B 1 616 ILE 616 698 698 ILE ILE B . n B 1 617 PRO 617 699 699 PRO PRO B . n B 1 618 LEU 618 700 700 LEU LEU B . n B 1 619 SER 619 701 701 SER SER B . n B 1 620 PRO 620 702 702 PRO PRO B . n B 1 621 VAL 621 703 703 VAL VAL B . n B 1 622 HIS 622 704 704 HIS HIS B . n B 1 623 LYS 623 705 705 LYS LYS B . n B 1 624 CYS 624 706 706 CYS CYS B . n B 1 625 SER 625 707 707 SER SER B . n B 1 626 TYR 626 708 708 TYR TYR B . n B 1 627 TYR 627 709 709 TYR TYR B . n B 1 628 LYS 628 710 710 LYS LYS B . n B 1 629 SER 629 711 ? ? ? B . n B 1 630 ASN 630 712 ? ? ? B . n B 1 631 SER 631 713 ? ? ? B . n B 1 632 LYS 632 714 ? ? ? B . n B 1 633 LEU 633 715 715 LEU LEU B . n B 1 634 SER 634 716 716 SER SER B . n B 1 635 TYR 635 717 717 TYR TYR B . n B 1 636 GLY 636 718 718 GLY GLY B . n B 1 637 PHE 637 719 719 PHE PHE B . n B 1 638 LEU 638 720 720 LEU LEU B . n B 1 639 THR 639 721 721 THR THR B . n B 1 640 PRO 640 722 722 PRO PRO B . n B 1 641 PRO 641 723 723 PRO PRO B . n B 1 642 ARG 642 724 724 ARG ARG B . n B 1 643 LEU 643 725 725 LEU LEU B . n B 1 644 ASN 644 726 726 ASN ASN B . n B 1 645 ARG 645 727 ? ? ? B . n B 1 646 VAL 646 728 ? ? ? B . n B 1 647 SER 647 729 ? ? ? B . n B 1 648 ASN 648 730 ? ? ? B . n B 1 649 HIS 649 731 731 HIS HIS B . n B 1 650 ILE 650 732 732 ILE ILE B . n B 1 651 TYR 651 733 733 TYR TYR B . n B 1 652 SER 652 734 734 SER SER B . n B 1 653 GLU 653 735 735 GLU GLU B . n B 1 654 ALA 654 736 736 ALA ALA B . n B 1 655 LEU 655 737 737 LEU LEU B . n B 1 656 LEU 656 738 738 LEU LEU B . n B 1 657 THR 657 739 739 THR THR B . n B 1 658 SER 658 740 740 SER SER B . n B 1 659 ASN 659 741 741 ASN ASN B . n B 1 660 ILE 660 742 742 ILE ILE B . n B 1 661 VAL 661 743 743 VAL VAL B . n B 1 662 PRO 662 744 744 PRO PRO B . n B 1 663 MSE 663 745 745 MSE MSE B . n B 1 664 TYR 664 746 746 TYR TYR B . n B 1 665 GLN 665 747 747 GLN GLN B . n B 1 666 SER 666 748 748 SER SER B . n B 1 667 PHE 667 749 749 PHE PHE B . n B 1 668 GLN 668 750 750 GLN GLN B . n B 1 669 VAL 669 751 751 VAL VAL B . n B 1 670 ILE 670 752 752 ILE ILE B . n B 1 671 TRP 671 753 753 TRP TRP B . n B 1 672 HIS 672 754 754 HIS HIS B . n B 1 673 TYR 673 755 755 TYR TYR B . n B 1 674 LEU 674 756 756 LEU LEU B . n B 1 675 HIS 675 757 757 HIS HIS B . n B 1 676 ASP 676 758 758 ASP ASP B . n B 1 677 THR 677 759 759 THR THR B . n B 1 678 LEU 678 760 760 LEU LEU B . n B 1 679 LEU 679 761 761 LEU LEU B . n B 1 680 GLN 680 762 762 GLN GLN B . n B 1 681 ARG 681 763 763 ARG ARG B . n B 1 682 TYR 682 764 764 TYR TYR B . n B 1 683 ALA 683 765 765 ALA ALA B . n B 1 684 HIS 684 766 766 HIS HIS B . n B 1 685 GLU 685 767 767 GLU GLU B . n B 1 686 ARG 686 768 768 ARG ARG B . n B 1 687 ASN 687 769 769 ASN ASN B . n B 1 688 GLY 688 770 770 GLY GLY B . n B 1 689 ILE 689 771 771 ILE ILE B . n B 1 690 ASN 690 772 772 ASN ASN B . n B 1 691 VAL 691 773 773 VAL VAL B . n B 1 692 VAL 692 774 774 VAL VAL B . n B 1 693 SER 693 775 775 SER SER B . n B 1 694 GLY 694 776 776 GLY GLY B . n B 1 695 PRO 695 777 777 PRO PRO B . n B 1 696 VAL 696 778 778 VAL VAL B . n B 1 697 PHE 697 779 779 PHE PHE B . n B 1 698 ASP 698 780 780 ASP ASP B . n B 1 699 PHE 699 781 781 PHE PHE B . n B 1 700 ASP 700 782 782 ASP ASP B . n B 1 701 TYR 701 783 783 TYR TYR B . n B 1 702 ASP 702 784 784 ASP ASP B . n B 1 703 GLY 703 785 785 GLY GLY B . n B 1 704 ARG 704 786 786 ARG ARG B . n B 1 705 TYR 705 787 787 TYR TYR B . n B 1 706 ASP 706 788 788 ASP ASP B . n B 1 707 SER 707 789 789 SER SER B . n B 1 708 LEU 708 790 790 LEU LEU B . n B 1 709 GLU 709 791 791 GLU GLU B . n B 1 710 ILE 710 792 792 ILE ILE B . n B 1 711 LEU 711 793 793 LEU LEU B . n B 1 712 LYS 712 794 794 LYS LYS B . n B 1 713 GLN 713 795 795 GLN GLN B . n B 1 714 ASN 714 796 796 ASN ASN B . n B 1 715 SER 715 797 797 SER SER B . n B 1 716 ARG 716 798 798 ARG ARG B . n B 1 717 VAL 717 799 799 VAL VAL B . n B 1 718 ILE 718 800 800 ILE ILE B . n B 1 719 ARG 719 801 801 ARG ARG B . n B 1 720 SER 720 802 802 SER SER B . n B 1 721 GLN 721 803 803 GLN GLN B . n B 1 722 GLU 722 804 804 GLU GLU B . n B 1 723 ILE 723 805 805 ILE ILE B . n B 1 724 LEU 724 806 806 LEU LEU B . n B 1 725 ILE 725 807 807 ILE ILE B . n B 1 726 PRO 726 808 808 PRO PRO B . n B 1 727 THR 727 809 809 THR THR B . n B 1 728 HIS 728 810 810 HIS HIS B . n B 1 729 PHE 729 811 811 PHE PHE B . n B 1 730 PHE 730 812 812 PHE PHE B . n B 1 731 ILE 731 813 813 ILE ILE B . n B 1 732 VAL 732 814 814 VAL VAL B . n B 1 733 LEU 733 815 815 LEU LEU B . n B 1 734 THR 734 816 816 THR THR B . n B 1 735 SER 735 817 817 SER SER B . n B 1 736 CYS 736 818 818 CYS CYS B . n B 1 737 LYS 737 819 819 LYS LYS B . n B 1 738 GLN 738 820 820 GLN GLN B . n B 1 739 LEU 739 821 821 LEU LEU B . n B 1 740 SER 740 822 822 SER SER B . n B 1 741 GLU 741 823 823 GLU GLU B . n B 1 742 THR 742 824 824 THR THR B . n B 1 743 PRO 743 825 825 PRO PRO B . n B 1 744 LEU 744 826 826 LEU LEU B . n B 1 745 GLU 745 827 827 GLU GLU B . n B 1 746 CYS 746 828 828 CYS CYS B . n B 1 747 SER 747 829 829 SER SER B . n B 1 748 ALA 748 830 830 ALA ALA B . n B 1 749 LEU 749 831 831 LEU LEU B . n B 1 750 GLU 750 832 832 GLU GLU B . n B 1 751 SER 751 833 833 SER SER B . n B 1 752 SER 752 834 834 SER SER B . n B 1 753 ALA 753 835 835 ALA ALA B . n B 1 754 TYR 754 836 836 TYR TYR B . n B 1 755 ILE 755 837 837 ILE ILE B . n B 1 756 LEU 756 838 838 LEU LEU B . n B 1 757 PRO 757 839 839 PRO PRO B . n B 1 758 HIS 758 840 840 HIS HIS B . n B 1 759 ARG 759 841 841 ARG ARG B . n B 1 760 PRO 760 842 842 PRO PRO B . n B 1 761 ASP 761 843 843 ASP ASP B . n B 1 762 ASN 762 844 844 ASN ASN B . n B 1 763 ILE 763 845 845 ILE ILE B . n B 1 764 GLU 764 846 846 GLU GLU B . n B 1 765 SER 765 847 847 SER SER B . n B 1 766 CYS 766 848 848 CYS CYS B . n B 1 767 THR 767 849 849 THR THR B . n B 1 768 HIS 768 850 850 HIS HIS B . n B 1 769 GLY 769 851 851 GLY GLY B . n B 1 770 LYS 770 852 852 LYS LYS B . n B 1 771 ARG 771 853 853 ARG ARG B . n B 1 772 GLU 772 854 854 GLU GLU B . n B 1 773 SER 773 855 855 SER SER B . n B 1 774 SER 774 856 856 SER SER B . n B 1 775 TRP 775 857 857 TRP TRP B . n B 1 776 VAL 776 858 858 VAL VAL B . n B 1 777 GLU 777 859 859 GLU GLU B . n B 1 778 GLU 778 860 860 GLU GLU B . n B 1 779 LEU 779 861 861 LEU LEU B . n B 1 780 LEU 780 862 862 LEU LEU B . n B 1 781 THR 781 863 863 THR THR B . n B 1 782 LEU 782 864 864 LEU LEU B . n B 1 783 HIS 783 865 865 HIS HIS B . n B 1 784 ARG 784 866 866 ARG ARG B . n B 1 785 ALA 785 867 867 ALA ALA B . n B 1 786 ARG 786 868 868 ARG ARG B . n B 1 787 VAL 787 869 869 VAL VAL B . n B 1 788 THR 788 870 870 THR THR B . n B 1 789 ASP 789 871 871 ASP ASP B . n B 1 790 VAL 790 872 872 VAL VAL B . n B 1 791 GLU 791 873 873 GLU GLU B . n B 1 792 LEU 792 874 874 LEU LEU B . n B 1 793 ILE 793 875 875 ILE ILE B . n B 1 794 THR 794 876 876 THR THR B . n B 1 795 GLY 795 877 877 GLY GLY B . n B 1 796 LEU 796 878 878 LEU LEU B . n B 1 797 SER 797 879 879 SER SER B . n B 1 798 PHE 798 880 880 PHE PHE B . n B 1 799 TYR 799 881 881 TYR TYR B . n B 1 800 GLN 800 882 882 GLN GLN B . n B 1 801 ASP 801 883 883 ASP ASP B . n B 1 802 ARG 802 884 884 ARG ARG B . n B 1 803 GLN 803 885 885 GLN GLN B . n B 1 804 GLU 804 886 886 GLU GLU B . n B 1 805 SER 805 887 887 SER SER B . n B 1 806 VAL 806 888 888 VAL VAL B . n B 1 807 SER 807 889 889 SER SER B . n B 1 808 GLU 808 890 890 GLU GLU B . n B 1 809 LEU 809 891 891 LEU LEU B . n B 1 810 LEU 810 892 892 LEU LEU B . n B 1 811 ARG 811 893 893 ARG ARG B . n B 1 812 LEU 812 894 894 LEU LEU B . n B 1 813 LYS 813 895 895 LYS LYS B . n B 1 814 THR 814 896 896 THR THR B . n B 1 815 HIS 815 897 897 HIS HIS B . n B 1 816 LEU 816 898 898 LEU LEU B . n B 1 817 PRO 817 899 899 PRO PRO B . n B 1 818 ILE 818 900 900 ILE ILE B . n B 1 819 PHE 819 901 901 PHE PHE B . n B 1 820 SER 820 902 902 SER SER B . n B 1 821 GLN 821 903 ? ? ? B . n B 1 822 GLU 822 904 ? ? ? B . n B 1 823 ASP 823 905 ? ? ? 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 1001 2000 NAG NAG A . D 2 NAG 2 1002 2001 NAG NAG A . E 3 BMA 3 1003 2002 BMA MAN A . F 4 MAN 4 1004 2003 MAN MAN A . G 4 MAN 5 1005 2004 MAN MAN A . H 4 MAN 6 1006 2005 MAN MAN A . I 2 NAG 1 1007 3000 NAG NAG A . J 2 NAG 1 1008 4000 NAG NAG A . K 5 AMP 1 1009 5000 AMP AMP A . L 6 ZN 1 1010 5001 ZN ZN A . M 6 ZN 1 1011 5002 ZN ZN A . N 7 CA 1 1012 5003 CA CA A . O 2 NAG 1 1001 2000 NAG NAG B . P 2 NAG 2 1002 2001 NAG NAG B . Q 2 NAG 1 1003 3000 NAG NAG B . R 2 NAG 1 1004 4000 NAG NAG B . S 5 AMP 1 1005 5000 AMP AMP B . T 6 ZN 1 1006 5001 ZN ZN B . U 6 ZN 1 1007 5002 ZN ZN B . V 7 CA 1 1008 5003 CA CA B . W 8 HOH 1 1101 1 HOH HOH A . W 8 HOH 2 1102 3 HOH HOH A . W 8 HOH 3 1103 4 HOH HOH A . W 8 HOH 4 1104 6 HOH HOH A . W 8 HOH 5 1105 7 HOH HOH A . W 8 HOH 6 1106 10 HOH HOH A . W 8 HOH 7 1107 11 HOH HOH A . W 8 HOH 8 1108 14 HOH HOH A . W 8 HOH 9 1109 17 HOH HOH A . W 8 HOH 10 1110 23 HOH HOH A . W 8 HOH 11 1111 27 HOH HOH A . W 8 HOH 12 1112 28 HOH HOH A . W 8 HOH 13 1113 35 HOH HOH A . W 8 HOH 14 1114 37 HOH HOH A . W 8 HOH 15 1115 40 HOH HOH A . W 8 HOH 16 1116 42 HOH HOH A . W 8 HOH 17 1117 44 HOH HOH A . W 8 HOH 18 1118 52 HOH HOH A . W 8 HOH 19 1119 53 HOH HOH A . W 8 HOH 20 1120 56 HOH HOH A . W 8 HOH 21 1121 57 HOH HOH A . W 8 HOH 22 1122 63 HOH HOH A . W 8 HOH 23 1123 68 HOH HOH A . W 8 HOH 24 1124 72 HOH HOH A . W 8 HOH 25 1125 81 HOH HOH A . W 8 HOH 26 1126 82 HOH HOH A . W 8 HOH 27 1127 83 HOH HOH A . W 8 HOH 28 1128 84 HOH HOH A . W 8 HOH 29 1129 89 HOH HOH A . W 8 HOH 30 1130 92 HOH HOH A . W 8 HOH 31 1131 93 HOH HOH A . W 8 HOH 32 1132 94 HOH HOH A . W 8 HOH 33 1133 96 HOH HOH A . W 8 HOH 34 1134 98 HOH HOH A . W 8 HOH 35 1135 102 HOH HOH A . W 8 HOH 36 1136 103 HOH HOH A . W 8 HOH 37 1137 104 HOH HOH A . W 8 HOH 38 1138 105 HOH HOH A . W 8 HOH 39 1139 107 HOH HOH A . W 8 HOH 40 1140 114 HOH HOH A . W 8 HOH 41 1141 116 HOH HOH A . W 8 HOH 42 1142 118 HOH HOH A . W 8 HOH 43 1143 129 HOH HOH A . W 8 HOH 44 1144 133 HOH HOH A . W 8 HOH 45 1145 143 HOH HOH A . W 8 HOH 46 1146 148 HOH HOH A . W 8 HOH 47 1147 149 HOH HOH A . W 8 HOH 48 1148 154 HOH HOH A . W 8 HOH 49 1149 165 HOH HOH A . W 8 HOH 50 1150 169 HOH HOH A . W 8 HOH 51 1151 172 HOH HOH A . W 8 HOH 52 1152 173 HOH HOH A . W 8 HOH 53 1153 176 HOH HOH A . W 8 HOH 54 1154 178 HOH HOH A . W 8 HOH 55 1155 187 HOH HOH A . W 8 HOH 56 1156 191 HOH HOH A . W 8 HOH 57 1157 193 HOH HOH A . W 8 HOH 58 1158 196 HOH HOH A . W 8 HOH 59 1159 197 HOH HOH A . W 8 HOH 60 1160 198 HOH HOH A . W 8 HOH 61 1161 200 HOH HOH A . W 8 HOH 62 1162 204 HOH HOH A . W 8 HOH 63 1163 206 HOH HOH A . W 8 HOH 64 1164 218 HOH HOH A . W 8 HOH 65 1165 222 HOH HOH A . W 8 HOH 66 1166 223 HOH HOH A . W 8 HOH 67 1167 227 HOH HOH A . W 8 HOH 68 1168 231 HOH HOH A . W 8 HOH 69 1169 232 HOH HOH A . W 8 HOH 70 1170 234 HOH HOH A . X 8 HOH 1 1101 2 HOH HOH B . X 8 HOH 2 1102 8 HOH HOH B . X 8 HOH 3 1103 15 HOH HOH B . X 8 HOH 4 1104 20 HOH HOH B . X 8 HOH 5 1105 31 HOH HOH B . X 8 HOH 6 1106 38 HOH HOH B . X 8 HOH 7 1107 39 HOH HOH B . X 8 HOH 8 1108 43 HOH HOH B . X 8 HOH 9 1109 48 HOH HOH B . X 8 HOH 10 1110 58 HOH HOH B . X 8 HOH 11 1111 59 HOH HOH B . X 8 HOH 12 1112 75 HOH HOH B . X 8 HOH 13 1113 100 HOH HOH B . X 8 HOH 14 1114 101 HOH HOH B . X 8 HOH 15 1115 106 HOH HOH B . X 8 HOH 16 1116 109 HOH HOH B . X 8 HOH 17 1117 110 HOH HOH B . X 8 HOH 18 1118 120 HOH HOH B . X 8 HOH 19 1119 121 HOH HOH B . X 8 HOH 20 1120 122 HOH HOH B . X 8 HOH 21 1121 123 HOH HOH B . X 8 HOH 22 1122 125 HOH HOH B . X 8 HOH 23 1123 126 HOH HOH B . X 8 HOH 24 1124 134 HOH HOH B . X 8 HOH 25 1125 140 HOH HOH B . X 8 HOH 26 1126 141 HOH HOH B . X 8 HOH 27 1127 152 HOH HOH B . X 8 HOH 28 1128 153 HOH HOH B . X 8 HOH 29 1129 155 HOH HOH B . X 8 HOH 30 1130 158 HOH HOH B . X 8 HOH 31 1131 161 HOH HOH B . X 8 HOH 32 1132 162 HOH HOH B . X 8 HOH 33 1133 174 HOH HOH B . X 8 HOH 34 1134 180 HOH HOH B . X 8 HOH 35 1135 181 HOH HOH B . X 8 HOH 36 1136 184 HOH HOH B . X 8 HOH 37 1137 185 HOH HOH B . X 8 HOH 38 1138 189 HOH HOH B . X 8 HOH 39 1139 199 HOH HOH B . X 8 HOH 40 1140 201 HOH HOH B . X 8 HOH 41 1141 207 HOH HOH B . X 8 HOH 42 1142 209 HOH HOH B . X 8 HOH 43 1143 213 HOH HOH B . X 8 HOH 44 1144 215 HOH HOH B . X 8 HOH 45 1145 217 HOH HOH B . X 8 HOH 46 1146 224 HOH HOH B . X 8 HOH 47 1147 226 HOH HOH B . X 8 HOH 48 1148 228 HOH HOH B . X 8 HOH 49 1149 233 HOH HOH B . X 8 HOH 50 1150 235 HOH HOH B . X 8 HOH 51 1151 236 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 485 A ASN 567 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 485 B ASN 567 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 241 A ASN 323 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 185 A ASN 267 ? ASN 'GLYCOSYLATION SITE' 5 B ASN 185 B ASN 267 ? ASN 'GLYCOSYLATION SITE' 6 B ASN 241 B ASN 323 ? ASN 'GLYCOSYLATION SITE' 7 A MSE 148 A MSE 230 ? MET SELENOMETHIONINE 8 A MSE 151 A MSE 233 ? MET SELENOMETHIONINE 9 A MSE 179 A MSE 261 ? MET SELENOMETHIONINE 10 A MSE 184 A MSE 266 ? MET SELENOMETHIONINE 11 A MSE 302 A MSE 384 ? MET SELENOMETHIONINE 12 A MSE 304 A MSE 386 ? MET SELENOMETHIONINE 13 A MSE 326 A MSE 408 ? MET SELENOMETHIONINE 14 A MSE 444 A MSE 526 ? MET SELENOMETHIONINE 15 A MSE 473 A MSE 555 ? MET SELENOMETHIONINE 16 A MSE 553 A MSE 635 ? MET SELENOMETHIONINE 17 A MSE 587 A MSE 669 ? MET SELENOMETHIONINE 18 A MSE 663 A MSE 745 ? MET SELENOMETHIONINE 19 B MSE 148 B MSE 230 ? MET SELENOMETHIONINE 20 B MSE 151 B MSE 233 ? MET SELENOMETHIONINE 21 B MSE 179 B MSE 261 ? MET SELENOMETHIONINE 22 B MSE 184 B MSE 266 ? MET SELENOMETHIONINE 23 B MSE 302 B MSE 384 ? MET SELENOMETHIONINE 24 B MSE 304 B MSE 386 ? MET SELENOMETHIONINE 25 B MSE 326 B MSE 408 ? MET SELENOMETHIONINE 26 B MSE 444 B MSE 526 ? MET SELENOMETHIONINE 27 B MSE 473 B MSE 555 ? MET SELENOMETHIONINE 28 B MSE 553 B MSE 635 ? MET SELENOMETHIONINE 29 B MSE 587 B MSE 669 ? MET SELENOMETHIONINE 30 B MSE 663 B MSE 745 ? MET SELENOMETHIONINE # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,H,I,J,K,L,M,N,W 2 1 B,O,P,Q,R,S,T,U,V,X # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OG1 ? B THR 156 ? B THR 238 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 NE2 ? B HIS 324 ? B HIS 406 ? 1_555 115.2 ? 2 OG1 ? B THR 156 ? B THR 238 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD1 ? B ASP 118 ? B ASP 200 ? 1_555 132.3 ? 3 NE2 ? B HIS 324 ? B HIS 406 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD1 ? B ASP 118 ? B ASP 200 ? 1_555 112.2 ? 4 OG1 ? B THR 156 ? B THR 238 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 O2P ? S AMP . ? B AMP 1005 ? 1_555 77.4 ? 5 NE2 ? B HIS 324 ? B HIS 406 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 O2P ? S AMP . ? B AMP 1005 ? 1_555 92.4 ? 6 OD1 ? B ASP 118 ? B ASP 200 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 O2P ? S AMP . ? B AMP 1005 ? 1_555 105.9 ? 7 OG1 ? B THR 156 ? B THR 238 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD2 ? B ASP 323 ? B ASP 405 ? 1_555 96.0 ? 8 NE2 ? B HIS 324 ? B HIS 406 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD2 ? B ASP 323 ? B ASP 405 ? 1_555 81.7 ? 9 OD1 ? B ASP 118 ? B ASP 200 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD2 ? B ASP 323 ? B ASP 405 ? 1_555 85.6 ? 10 O2P ? S AMP . ? B AMP 1005 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD2 ? B ASP 323 ? B ASP 405 ? 1_555 168.4 ? 11 OG1 ? B THR 156 ? B THR 238 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD2 ? B ASP 118 ? B ASP 200 ? 1_555 77.7 ? 12 NE2 ? B HIS 324 ? B HIS 406 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD2 ? B ASP 118 ? B ASP 200 ? 1_555 163.1 ? 13 OD1 ? B ASP 118 ? B ASP 200 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD2 ? B ASP 118 ? B ASP 200 ? 1_555 54.8 ? 14 O2P ? S AMP . ? B AMP 1005 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD2 ? B ASP 118 ? B ASP 200 ? 1_555 101.5 ? 15 OD2 ? B ASP 323 ? B ASP 405 ? 1_555 ZN ? T ZN . ? B ZN 1006 ? 1_555 OD2 ? B ASP 118 ? B ASP 200 ? 1_555 86.2 ? 16 NE2 ? A HIS 324 ? A HIS 406 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 OG1 ? A THR 156 ? A THR 238 ? 1_555 121.9 ? 17 NE2 ? A HIS 324 ? A HIS 406 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 OD1 ? A ASP 118 ? A ASP 200 ? 1_555 114.5 ? 18 OG1 ? A THR 156 ? A THR 238 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 OD1 ? A ASP 118 ? A ASP 200 ? 1_555 123.6 ? 19 NE2 ? A HIS 324 ? A HIS 406 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 OD2 ? A ASP 323 ? A ASP 405 ? 1_555 81.6 ? 20 OG1 ? A THR 156 ? A THR 238 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 OD2 ? A ASP 323 ? A ASP 405 ? 1_555 98.0 ? 21 OD1 ? A ASP 118 ? A ASP 200 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 OD2 ? A ASP 323 ? A ASP 405 ? 1_555 88.3 ? 22 NE2 ? A HIS 324 ? A HIS 406 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 O2P ? K AMP . ? A AMP 1009 ? 1_555 91.6 ? 23 OG1 ? A THR 156 ? A THR 238 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 O2P ? K AMP . ? A AMP 1009 ? 1_555 76.4 ? 24 OD1 ? A ASP 118 ? A ASP 200 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 O2P ? K AMP . ? A AMP 1009 ? 1_555 104.4 ? 25 OD2 ? A ASP 323 ? A ASP 405 ? 1_555 ZN ? L ZN . ? A ZN 1010 ? 1_555 O2P ? K AMP . ? A AMP 1009 ? 1_555 167.2 ? 26 NE2 ? B HIS 435 ? B HIS 517 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 NE2 ? B HIS 280 ? B HIS 362 ? 1_555 94.5 ? 27 NE2 ? B HIS 435 ? B HIS 517 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 OD2 ? B ASP 276 ? B ASP 358 ? 1_555 104.2 ? 28 NE2 ? B HIS 280 ? B HIS 362 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 OD2 ? B ASP 276 ? B ASP 358 ? 1_555 98.4 ? 29 NE2 ? B HIS 435 ? B HIS 517 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 O2P ? S AMP . ? B AMP 1005 ? 1_555 95.5 ? 30 NE2 ? B HIS 280 ? B HIS 362 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 O2P ? S AMP . ? B AMP 1005 ? 1_555 165.5 ? 31 OD2 ? B ASP 276 ? B ASP 358 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 O2P ? S AMP . ? B AMP 1005 ? 1_555 89.3 ? 32 NE2 ? B HIS 435 ? B HIS 517 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 OD1 ? B ASP 276 ? B ASP 358 ? 1_555 161.2 ? 33 NE2 ? B HIS 280 ? B HIS 362 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 OD1 ? B ASP 276 ? B ASP 358 ? 1_555 90.3 ? 34 OD2 ? B ASP 276 ? B ASP 358 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 OD1 ? B ASP 276 ? B ASP 358 ? 1_555 57.1 ? 35 O2P ? S AMP . ? B AMP 1005 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 OD1 ? B ASP 276 ? B ASP 358 ? 1_555 83.5 ? 36 NE2 ? B HIS 435 ? B HIS 517 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 O3P ? S AMP . ? B AMP 1005 ? 1_555 102.5 ? 37 NE2 ? B HIS 280 ? B HIS 362 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 O3P ? S AMP . ? B AMP 1005 ? 1_555 103.8 ? 38 OD2 ? B ASP 276 ? B ASP 358 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 O3P ? S AMP . ? B AMP 1005 ? 1_555 143.6 ? 39 O2P ? S AMP . ? B AMP 1005 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 O3P ? S AMP . ? B AMP 1005 ? 1_555 63.7 ? 40 OD1 ? B ASP 276 ? B ASP 358 ? 1_555 ZN ? U ZN . ? B ZN 1007 ? 1_555 O3P ? S AMP . ? B AMP 1005 ? 1_555 94.0 ? 41 NE2 ? A HIS 280 ? A HIS 362 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 O2P ? K AMP . ? A AMP 1009 ? 1_555 170.1 ? 42 NE2 ? A HIS 280 ? A HIS 362 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 NE2 ? A HIS 435 ? A HIS 517 ? 1_555 90.3 ? 43 O2P ? K AMP . ? A AMP 1009 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 NE2 ? A HIS 435 ? A HIS 517 ? 1_555 89.8 ? 44 NE2 ? A HIS 280 ? A HIS 362 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 OD1 ? A ASP 276 ? A ASP 358 ? 1_555 100.0 ? 45 O2P ? K AMP . ? A AMP 1009 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 OD1 ? A ASP 276 ? A ASP 358 ? 1_555 89.8 ? 46 NE2 ? A HIS 435 ? A HIS 517 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 OD1 ? A ASP 276 ? A ASP 358 ? 1_555 97.3 ? 47 NE2 ? A HIS 280 ? A HIS 362 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 OD2 ? A ASP 276 ? A ASP 358 ? 1_555 88.9 ? 48 O2P ? K AMP . ? A AMP 1009 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 OD2 ? A ASP 276 ? A ASP 358 ? 1_555 94.7 ? 49 NE2 ? A HIS 435 ? A HIS 517 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 OD2 ? A ASP 276 ? A ASP 358 ? 1_555 158.1 ? 50 OD1 ? A ASP 276 ? A ASP 358 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 OD2 ? A ASP 276 ? A ASP 358 ? 1_555 61.4 ? 51 NE2 ? A HIS 280 ? A HIS 362 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 O3P ? K AMP . ? A AMP 1009 ? 1_555 104.6 ? 52 O2P ? K AMP . ? A AMP 1009 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 O3P ? K AMP . ? A AMP 1009 ? 1_555 65.4 ? 53 NE2 ? A HIS 435 ? A HIS 517 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 O3P ? K AMP . ? A AMP 1009 ? 1_555 92.8 ? 54 OD1 ? A ASP 276 ? A ASP 358 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 O3P ? K AMP . ? A AMP 1009 ? 1_555 153.3 ? 55 OD2 ? A ASP 276 ? A ASP 358 ? 1_555 ZN ? M ZN . ? A ZN 1011 ? 1_555 O3P ? K AMP . ? A AMP 1009 ? 1_555 108.5 ? 56 OD1 ? A ASP 702 ? A ASP 784 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD1 ? A ASP 706 ? A ASP 788 ? 1_555 136.8 ? 57 OD1 ? A ASP 702 ? A ASP 784 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 O ? A ARG 704 ? A ARG 786 ? 1_555 82.9 ? 58 OD1 ? A ASP 706 ? A ASP 788 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 O ? A ARG 704 ? A ARG 786 ? 1_555 97.6 ? 59 OD1 ? A ASP 702 ? A ASP 784 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD1 ? A ASP 700 ? A ASP 782 ? 1_555 83.0 ? 60 OD1 ? A ASP 706 ? A ASP 788 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD1 ? A ASP 700 ? A ASP 782 ? 1_555 66.3 ? 61 O ? A ARG 704 ? A ARG 786 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD1 ? A ASP 700 ? A ASP 782 ? 1_555 135.1 ? 62 OD1 ? A ASP 702 ? A ASP 784 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD1 ? A ASP 698 ? A ASP 780 ? 1_555 63.4 ? 63 OD1 ? A ASP 706 ? A ASP 788 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD1 ? A ASP 698 ? A ASP 780 ? 1_555 76.3 ? 64 O ? A ARG 704 ? A ARG 786 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD1 ? A ASP 698 ? A ASP 780 ? 1_555 69.8 ? 65 OD1 ? A ASP 700 ? A ASP 782 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD1 ? A ASP 698 ? A ASP 780 ? 1_555 65.8 ? 66 OD1 ? A ASP 702 ? A ASP 784 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 700 ? A ASP 782 ? 1_555 79.3 ? 67 OD1 ? A ASP 706 ? A ASP 788 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 700 ? A ASP 782 ? 1_555 100.2 ? 68 O ? A ARG 704 ? A ARG 786 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 700 ? A ASP 782 ? 1_555 160.9 ? 69 OD1 ? A ASP 700 ? A ASP 782 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 700 ? A ASP 782 ? 1_555 49.3 ? 70 OD1 ? A ASP 698 ? A ASP 780 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 700 ? A ASP 782 ? 1_555 107.7 ? 71 OD1 ? A ASP 702 ? A ASP 784 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 702 ? A ASP 784 ? 1_555 45.6 ? 72 OD1 ? A ASP 706 ? A ASP 788 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 702 ? A ASP 784 ? 1_555 165.6 ? 73 O ? A ARG 704 ? A ARG 786 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 702 ? A ASP 784 ? 1_555 96.8 ? 74 OD1 ? A ASP 700 ? A ASP 782 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 702 ? A ASP 784 ? 1_555 103.0 ? 75 OD1 ? A ASP 698 ? A ASP 780 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 702 ? A ASP 784 ? 1_555 109.0 ? 76 OD2 ? A ASP 700 ? A ASP 782 ? 1_555 CA ? N CA . ? A CA 1012 ? 1_555 OD2 ? A ASP 702 ? A ASP 784 ? 1_555 65.5 ? 77 OD1 ? B ASP 706 ? B ASP 788 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD1 ? B ASP 700 ? B ASP 782 ? 1_555 66.4 ? 78 OD1 ? B ASP 706 ? B ASP 788 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD1 ? B ASP 702 ? B ASP 784 ? 1_555 136.0 ? 79 OD1 ? B ASP 700 ? B ASP 782 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD1 ? B ASP 702 ? B ASP 784 ? 1_555 82.2 ? 80 OD1 ? B ASP 706 ? B ASP 788 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 O ? B ARG 704 ? B ARG 786 ? 1_555 94.3 ? 81 OD1 ? B ASP 700 ? B ASP 782 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 O ? B ARG 704 ? B ARG 786 ? 1_555 130.9 ? 82 OD1 ? B ASP 702 ? B ASP 784 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 O ? B ARG 704 ? B ARG 786 ? 1_555 83.5 ? 83 OD1 ? B ASP 706 ? B ASP 788 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD1 ? B ASP 698 ? B ASP 780 ? 1_555 75.7 ? 84 OD1 ? B ASP 700 ? B ASP 782 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD1 ? B ASP 698 ? B ASP 780 ? 1_555 64.8 ? 85 OD1 ? B ASP 702 ? B ASP 784 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD1 ? B ASP 698 ? B ASP 780 ? 1_555 63.0 ? 86 O ? B ARG 704 ? B ARG 786 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD1 ? B ASP 698 ? B ASP 780 ? 1_555 66.9 ? 87 OD1 ? B ASP 706 ? B ASP 788 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 700 ? B ASP 782 ? 1_555 101.7 ? 88 OD1 ? B ASP 700 ? B ASP 782 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 700 ? B ASP 782 ? 1_555 50.7 ? 89 OD1 ? B ASP 702 ? B ASP 784 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 700 ? B ASP 782 ? 1_555 78.5 ? 90 O ? B ARG 704 ? B ARG 786 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 700 ? B ASP 782 ? 1_555 161.4 ? 91 OD1 ? B ASP 698 ? B ASP 780 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 700 ? B ASP 782 ? 1_555 107.9 ? 92 OD1 ? B ASP 706 ? B ASP 788 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 702 ? B ASP 784 ? 1_555 166.6 ? 93 OD1 ? B ASP 700 ? B ASP 782 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 702 ? B ASP 784 ? 1_555 103.2 ? 94 OD1 ? B ASP 702 ? B ASP 784 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 702 ? B ASP 784 ? 1_555 45.3 ? 95 O ? B ARG 704 ? B ARG 786 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 702 ? B ASP 784 ? 1_555 99.0 ? 96 OD1 ? B ASP 698 ? B ASP 780 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 702 ? B ASP 784 ? 1_555 108.3 ? 97 OD2 ? B ASP 700 ? B ASP 782 ? 1_555 CA ? V CA . ? B CA 1008 ? 1_555 OD2 ? B ASP 702 ? B ASP 784 ? 1_555 64.9 ? # 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 2012-11-07 2 'Structure model' 1 1 2017-08-23 3 'Structure model' 1 2 2017-11-15 4 'Structure model' 1 3 2018-06-20 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Source and taxonomy' 2 3 'Structure model' 'Refinement description' 3 4 'Structure model' 'Data collection' 4 4 'Structure model' 'Source and taxonomy' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' entity_src_gen 2 3 'Structure model' software 3 4 'Structure model' entity_src_gen # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_entity_src_gen.host_org_common_name' 2 4 'Structure model' '_entity_src_gen.pdbx_host_org_cell_line' 3 4 'Structure model' '_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id' 4 4 'Structure model' '_entity_src_gen.pdbx_host_org_scientific_name' 5 4 'Structure model' '_entity_src_gen.pdbx_host_org_strain' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined 23.3752 20.3488 32.3613 0.4938 0.1344 0.1267 0.0037 0.0810 0.0336 0.6823 0.6410 0.7947 -0.1718 -0.1130 -0.2478 0.0381 0.1416 0.0958 -0.3186 -0.1372 0.2084 0.5452 -0.1970 -0.2485 'X-RAY DIFFRACTION' 2 ? refined 26.5552 26.3748 27.1436 0.2667 0.0963 0.1438 0.0454 0.0367 -0.1263 0.8514 1.0863 0.8036 -0.0100 0.1874 0.3843 0.0497 0.1296 0.1571 -0.2773 0.0436 0.0067 0.4170 -0.1079 -0.0788 'X-RAY DIFFRACTION' 3 ? refined 23.0642 51.5879 3.7921 0.2067 0.0341 0.3010 0.0759 0.1816 0.0212 0.3872 1.3406 0.4844 0.1501 -0.1473 0.0092 0.2280 0.0617 0.1107 0.0308 0.1619 0.1722 0.0148 -0.2725 -0.0155 'X-RAY DIFFRACTION' 4 ? refined 33.8812 60.9234 12.7791 0.4660 0.0926 0.3688 0.0612 0.1894 -0.0864 0.7601 1.1494 0.3290 -0.4827 0.2513 -0.1190 0.0751 0.0244 -0.1114 -0.0185 0.2872 -0.2150 0.1625 -0.3532 -0.0539 'X-RAY DIFFRACTION' 5 ? refined 31.5754 44.9902 16.6252 0.0447 -0.2537 0.0815 0.1594 0.1966 -0.2825 0.4906 0.8519 0.7745 -0.1045 -0.0975 -0.0862 0.0549 0.0977 -0.1686 -0.1463 0.1193 -0.1398 0.3194 -0.2031 0.1585 'X-RAY DIFFRACTION' 6 ? refined 21.9943 29.9469 -26.4680 -0.3671 0.3741 0.0668 0.1780 -0.1466 -0.0274 0.7021 0.8171 0.6622 0.1327 0.1713 -0.2492 0.0580 0.1691 0.2355 0.6080 0.1028 0.1873 -0.5878 0.2298 -0.3748 'X-RAY DIFFRACTION' 7 ? refined 33.8797 -4.3078 0.1653 0.3688 0.1633 0.4407 0.0710 -0.0350 -0.1503 0.2596 0.5021 0.1286 0.0227 -0.0619 -0.0240 -0.0878 -0.0414 -0.2950 0.0887 -0.2839 -0.0295 0.0058 0.4026 0.0790 'X-RAY DIFFRACTION' 8 ? refined 39.3834 -5.7589 -5.5134 0.3745 0.1458 0.4385 0.1652 -0.0977 -0.1297 0.7931 0.8037 0.8238 -0.2624 -0.4274 -0.1625 -0.1236 0.0024 0.0021 0.1045 -0.3638 -0.1345 -0.0504 0.4390 0.1465 'X-RAY DIFFRACTION' 9 ? refined 37.2235 8.1160 -13.2270 0.0025 -0.1101 0.0601 0.2256 0.0691 -0.4089 0.5469 0.6140 0.7267 -0.1578 -0.2304 -0.0723 -0.0173 -0.0549 -0.0527 0.1809 -0.1770 -0.1419 -0.0706 0.3456 0.2085 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 170 A 481 'CHAIN A AND (RESSEQ 170:481)' ? ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 482 A 576 'CHAIN A AND (RESSEQ 482:576)' ? ? ? ? ? 'X-RAY DIFFRACTION' 3 3 A 577 A 664 'CHAIN A AND (RESSEQ 577:664)' ? ? ? ? ? 'X-RAY DIFFRACTION' 4 4 A 665 A 758 'CHAIN A AND (RESSEQ 665:758)' ? ? ? ? ? 'X-RAY DIFFRACTION' 5 5 A 759 A 902 'CHAIN A AND (RESSEQ 759:902)' ? ? ? ? ? 'X-RAY DIFFRACTION' 6 6 B 170 B 591 'CHAIN B AND (RESSEQ 170:591)' ? ? ? ? ? 'X-RAY DIFFRACTION' 7 7 B 592 B 649 'CHAIN B AND (RESSEQ 592:649)' ? ? ? ? ? 'X-RAY DIFFRACTION' 8 8 B 650 B 734 'CHAIN B AND (RESSEQ 650:734)' ? ? ? ? ? 'X-RAY DIFFRACTION' 9 9 B 735 B 902 'CHAIN B AND (RESSEQ 735:902)' ? ? ? ? ? # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 DENZO . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 2 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 3 PHENIX 1.7.2_869 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ ? 4 PDB_EXTRACT 3.11 'April 22, 2011' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 BSS . ? ? ? ? 'data collection' ? ? ? 6 HKL-2000 . ? ? ? ? 'data reduction' ? ? ? 7 HKL-2000 . ? ? ? ? 'data scaling' ? ? ? 8 SHARP . ? ? ? ? phasing ? ? ? # _pdbx_entry_details.sequence_details 'THE FUSION PROTEIN OF ENPP2 (UNP RESIDUES 51-59) AND ENPP1 (UNP RESIDUES 92-905)' _pdbx_entry_details.entry_id 4GTW _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 SG B CYS 607 ? ? CB B CYS 706 ? ? 1.98 2 1 O A LEU 715 ? ? NH2 A ARG 801 ? ? 2.12 3 1 ND2 A ASN 267 ? ? C2 A NAG 1007 ? ? 2.16 4 1 NH1 B ARG 650 ? ? OD1 B ASP 666 ? ? 2.16 5 1 ND2 A ASN 323 ? ? C2 A NAG 1008 ? ? 2.19 # 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 ILE A 180 ? ? -105.68 71.19 2 1 GLU A 188 ? ? 75.19 -4.90 3 1 TRP A 210 ? ? -99.51 37.44 4 1 CYS A 397 ? ? -140.97 19.71 5 1 LYS A 415 ? ? -105.85 64.35 6 1 ASP A 425 ? ? -68.50 67.54 7 1 ALA A 484 ? ? -137.33 -47.06 8 1 PRO A 565 ? ? -56.47 108.13 9 1 TYR A 783 ? ? 39.45 46.57 10 1 GLU A 827 ? ? -142.37 35.13 11 1 ILE B 180 ? ? -105.35 71.87 12 1 CYS B 397 ? ? -141.38 19.24 13 1 LYS B 415 ? ? -105.48 64.66 14 1 ASP B 425 ? ? -69.04 67.38 15 1 ALA B 484 ? ? -136.94 -46.63 16 1 PRO B 565 ? ? -56.75 108.17 17 1 TYR B 783 ? ? 39.39 46.28 18 1 GLU B 827 ? ? -142.48 35.38 19 1 HIS B 850 ? ? -57.26 109.50 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 170 ? CG ? A LYS 88 CG 2 1 Y 1 A LYS 170 ? CD ? A LYS 88 CD 3 1 Y 1 A LYS 170 ? CE ? A LYS 88 CE 4 1 Y 1 A LYS 170 ? NZ ? A LYS 88 NZ 5 1 Y 1 A GLU 184 ? CG ? A GLU 102 CG 6 1 Y 1 A GLU 184 ? CD ? A GLU 102 CD 7 1 Y 1 A GLU 184 ? OE1 ? A GLU 102 OE1 8 1 Y 1 A GLU 184 ? OE2 ? A GLU 102 OE2 9 1 Y 1 A GLU 188 ? CG ? A GLU 106 CG 10 1 Y 1 A GLU 188 ? CD ? A GLU 106 CD 11 1 Y 1 A GLU 188 ? OE1 ? A GLU 106 OE1 12 1 Y 1 A GLU 188 ? OE2 ? A GLU 106 OE2 13 1 Y 1 A LYS 260 ? CG ? A LYS 178 CG 14 1 Y 1 A LYS 260 ? CD ? A LYS 178 CD 15 1 Y 1 A LYS 260 ? CE ? A LYS 178 CE 16 1 Y 1 A LYS 260 ? NZ ? A LYS 178 NZ 17 1 Y 1 A LYS 265 ? CG ? A LYS 183 CG 18 1 Y 1 A LYS 265 ? CD ? A LYS 183 CD 19 1 Y 1 A LYS 265 ? CE ? A LYS 183 CE 20 1 Y 1 A LYS 265 ? NZ ? A LYS 183 NZ 21 1 Y 1 A LYS 273 ? CG ? A LYS 191 CG 22 1 Y 1 A LYS 273 ? CD ? A LYS 191 CD 23 1 Y 1 A LYS 273 ? CE ? A LYS 191 CE 24 1 Y 1 A LYS 273 ? NZ ? A LYS 191 NZ 25 1 Y 1 A LYS 275 ? CG ? A LYS 193 CG 26 1 Y 1 A LYS 275 ? CD ? A LYS 193 CD 27 1 Y 1 A LYS 275 ? CE ? A LYS 193 CE 28 1 Y 1 A LYS 275 ? NZ ? A LYS 193 NZ 29 1 Y 1 A LYS 298 ? CG ? A LYS 216 CG 30 1 Y 1 A LYS 298 ? CD ? A LYS 216 CD 31 1 Y 1 A LYS 298 ? CE ? A LYS 216 CE 32 1 Y 1 A LYS 298 ? NZ ? A LYS 216 NZ 33 1 Y 1 A ILE 311 ? CD1 ? A ILE 229 CD1 34 1 Y 1 A LYS 320 ? CG ? A LYS 238 CG 35 1 Y 1 A LYS 320 ? CD ? A LYS 238 CD 36 1 Y 1 A LYS 320 ? CE ? A LYS 238 CE 37 1 Y 1 A LYS 320 ? NZ ? A LYS 238 NZ 38 1 Y 1 A GLU 329 ? CG ? A GLU 247 CG 39 1 Y 1 A GLU 329 ? CD ? A GLU 247 CD 40 1 Y 1 A GLU 329 ? OE1 ? A GLU 247 OE1 41 1 Y 1 A GLU 329 ? OE2 ? A GLU 247 OE2 42 1 Y 1 A GLU 345 ? CG ? A GLU 263 CG 43 1 Y 1 A GLU 345 ? CD ? A GLU 263 CD 44 1 Y 1 A GLU 345 ? OE1 ? A GLU 263 OE1 45 1 Y 1 A GLU 345 ? OE2 ? A GLU 263 OE2 46 1 Y 1 A LYS 414 ? CG ? A LYS 332 CG 47 1 Y 1 A LYS 414 ? CD ? A LYS 332 CD 48 1 Y 1 A LYS 414 ? CE ? A LYS 332 CE 49 1 Y 1 A LYS 414 ? NZ ? A LYS 332 NZ 50 1 Y 1 A ASP 425 ? CG ? A ASP 343 CG 51 1 Y 1 A ASP 425 ? OD1 ? A ASP 343 OD1 52 1 Y 1 A ASP 425 ? OD2 ? A ASP 343 OD2 53 1 Y 1 A LYS 430 ? CG ? A LYS 348 CG 54 1 Y 1 A LYS 430 ? CD ? A LYS 348 CD 55 1 Y 1 A LYS 430 ? CE ? A LYS 348 CE 56 1 Y 1 A LYS 430 ? NZ ? A LYS 348 NZ 57 1 Y 1 A ARG 440 ? CZ ? A ARG 358 CZ 58 1 Y 1 A ARG 440 ? NH1 ? A ARG 358 NH1 59 1 Y 1 A ARG 440 ? NH2 ? A ARG 358 NH2 60 1 Y 1 A ASP 443 ? CG ? A ASP 361 CG 61 1 Y 1 A ASP 443 ? OD1 ? A ASP 361 OD1 62 1 Y 1 A ASP 443 ? OD2 ? A ASP 361 OD2 63 1 Y 1 A GLU 446 ? CG ? A GLU 364 CG 64 1 Y 1 A GLU 446 ? CD ? A GLU 364 CD 65 1 Y 1 A GLU 446 ? OE1 ? A GLU 364 OE1 66 1 Y 1 A GLU 446 ? OE2 ? A GLU 364 OE2 67 1 Y 1 A GLU 454 ? CG ? A GLU 372 CG 68 1 Y 1 A GLU 454 ? CD ? A GLU 372 CD 69 1 Y 1 A GLU 454 ? OE1 ? A GLU 372 OE1 70 1 Y 1 A GLU 454 ? OE2 ? A GLU 372 OE2 71 1 Y 1 A LYS 458 ? CG ? A LYS 376 CG 72 1 Y 1 A LYS 458 ? CD ? A LYS 376 CD 73 1 Y 1 A LYS 458 ? CE ? A LYS 376 CE 74 1 Y 1 A LYS 458 ? NZ ? A LYS 376 NZ 75 1 Y 1 A LYS 485 ? CG ? A LYS 403 CG 76 1 Y 1 A LYS 485 ? CD ? A LYS 403 CD 77 1 Y 1 A LYS 485 ? CE ? A LYS 403 CE 78 1 Y 1 A LYS 485 ? NZ ? A LYS 403 NZ 79 1 Y 1 A ASN 505 ? CG ? A ASN 423 CG 80 1 Y 1 A ASN 505 ? OD1 ? A ASN 423 OD1 81 1 Y 1 A ASN 505 ? ND2 ? A ASN 423 ND2 82 1 Y 1 A GLU 508 ? CG ? A GLU 426 CG 83 1 Y 1 A GLU 508 ? CD ? A GLU 426 CD 84 1 Y 1 A GLU 508 ? OE1 ? A GLU 426 OE1 85 1 Y 1 A GLU 508 ? OE2 ? A GLU 426 OE2 86 1 Y 1 A LYS 510 ? CG ? A LYS 428 CG 87 1 Y 1 A LYS 510 ? CD ? A LYS 428 CD 88 1 Y 1 A LYS 510 ? CE ? A LYS 428 CE 89 1 Y 1 A LYS 510 ? NZ ? A LYS 428 NZ 90 1 Y 1 A PHE 592 ? CG ? A PHE 510 CG 91 1 Y 1 A PHE 592 ? CD1 ? A PHE 510 CD1 92 1 Y 1 A PHE 592 ? CD2 ? A PHE 510 CD2 93 1 Y 1 A PHE 592 ? CE1 ? A PHE 510 CE1 94 1 Y 1 A PHE 592 ? CE2 ? A PHE 510 CE2 95 1 Y 1 A PHE 592 ? CZ ? A PHE 510 CZ 96 1 Y 1 A LYS 599 ? CG ? A LYS 517 CG 97 1 Y 1 A LYS 599 ? CD ? A LYS 517 CD 98 1 Y 1 A LYS 599 ? CE ? A LYS 517 CE 99 1 Y 1 A LYS 599 ? NZ ? A LYS 517 NZ 100 1 Y 1 A ASN 603 ? CG ? A ASN 521 CG 101 1 Y 1 A ASN 603 ? OD1 ? A ASN 521 OD1 102 1 Y 1 A ASN 603 ? ND2 ? A ASN 521 ND2 103 1 Y 1 A ASP 604 ? CG ? A ASP 522 CG 104 1 Y 1 A ASP 604 ? OD1 ? A ASP 522 OD1 105 1 Y 1 A ASP 604 ? OD2 ? A ASP 522 OD2 106 1 Y 1 A ASP 610 ? CG ? A ASP 528 CG 107 1 Y 1 A ASP 610 ? OD1 ? A ASP 528 OD1 108 1 Y 1 A ASP 610 ? OD2 ? A ASP 528 OD2 109 1 Y 1 A LYS 647 ? CG ? A LYS 565 CG 110 1 Y 1 A LYS 647 ? CD ? A LYS 565 CD 111 1 Y 1 A LYS 647 ? CE ? A LYS 565 CE 112 1 Y 1 A LYS 647 ? NZ ? A LYS 565 NZ 113 1 Y 1 A GLN 648 ? CG ? A GLN 566 CG 114 1 Y 1 A GLN 648 ? CD ? A GLN 566 CD 115 1 Y 1 A GLN 648 ? OE1 ? A GLN 566 OE1 116 1 Y 1 A GLN 648 ? NE2 ? A GLN 566 NE2 117 1 Y 1 A ARG 650 ? CG ? A ARG 568 CG 118 1 Y 1 A ARG 650 ? CD ? A ARG 568 CD 119 1 Y 1 A ARG 650 ? NE ? A ARG 568 NE 120 1 Y 1 A ARG 650 ? CZ ? A ARG 568 CZ 121 1 Y 1 A ARG 650 ? NH1 ? A ARG 568 NH1 122 1 Y 1 A ARG 650 ? NH2 ? A ARG 568 NH2 123 1 Y 1 A ASN 680 ? CG ? A ASN 598 CG 124 1 Y 1 A ASN 680 ? OD1 ? A ASN 598 OD1 125 1 Y 1 A ASN 680 ? ND2 ? A ASN 598 ND2 126 1 Y 1 A LYS 705 ? CG ? A LYS 623 CG 127 1 Y 1 A LYS 705 ? CD ? A LYS 623 CD 128 1 Y 1 A LYS 705 ? CE ? A LYS 623 CE 129 1 Y 1 A LYS 705 ? NZ ? A LYS 623 NZ 130 1 Y 1 A LYS 710 ? CG ? A LYS 628 CG 131 1 Y 1 A LYS 710 ? CD ? A LYS 628 CD 132 1 Y 1 A LYS 710 ? CE ? A LYS 628 CE 133 1 Y 1 A LYS 710 ? NZ ? A LYS 628 NZ 134 1 Y 1 A ASN 712 ? CG ? A ASN 630 CG 135 1 Y 1 A ASN 712 ? OD1 ? A ASN 630 OD1 136 1 Y 1 A ASN 712 ? ND2 ? A ASN 630 ND2 137 1 Y 1 A HIS 731 ? CG ? A HIS 649 CG 138 1 Y 1 A HIS 731 ? ND1 ? A HIS 649 ND1 139 1 Y 1 A HIS 731 ? CD2 ? A HIS 649 CD2 140 1 Y 1 A HIS 731 ? CE1 ? A HIS 649 CE1 141 1 Y 1 A HIS 731 ? NE2 ? A HIS 649 NE2 142 1 Y 1 A GLN 747 ? CG ? A GLN 665 CG 143 1 Y 1 A GLN 747 ? CD ? A GLN 665 CD 144 1 Y 1 A GLN 747 ? OE1 ? A GLN 665 OE1 145 1 Y 1 A GLN 747 ? NE2 ? A GLN 665 NE2 146 1 Y 1 A GLU 791 ? CG ? A GLU 709 CG 147 1 Y 1 A GLU 791 ? CD ? A GLU 709 CD 148 1 Y 1 A GLU 791 ? OE1 ? A GLU 709 OE1 149 1 Y 1 A GLU 791 ? OE2 ? A GLU 709 OE2 150 1 Y 1 A LYS 794 ? CG ? A LYS 712 CG 151 1 Y 1 A LYS 794 ? CD ? A LYS 712 CD 152 1 Y 1 A LYS 794 ? CE ? A LYS 712 CE 153 1 Y 1 A LYS 794 ? NZ ? A LYS 712 NZ 154 1 Y 1 A GLU 804 ? CG ? A GLU 722 CG 155 1 Y 1 A GLU 804 ? CD ? A GLU 722 CD 156 1 Y 1 A GLU 804 ? OE1 ? A GLU 722 OE1 157 1 Y 1 A GLU 804 ? OE2 ? A GLU 722 OE2 158 1 Y 1 A ILE 845 ? CD1 ? A ILE 763 CD1 159 1 Y 1 A LYS 852 ? CG ? A LYS 770 CG 160 1 Y 1 A LYS 852 ? CD ? A LYS 770 CD 161 1 Y 1 A LYS 852 ? CE ? A LYS 770 CE 162 1 Y 1 A LYS 852 ? NZ ? A LYS 770 NZ 163 1 Y 1 A ARG 853 ? CG ? A ARG 771 CG 164 1 Y 1 A ARG 853 ? CD ? A ARG 771 CD 165 1 Y 1 A ARG 853 ? NE ? A ARG 771 NE 166 1 Y 1 A ARG 853 ? CZ ? A ARG 771 CZ 167 1 Y 1 A ARG 853 ? NH1 ? A ARG 771 NH1 168 1 Y 1 A ARG 853 ? NH2 ? A ARG 771 NH2 169 1 Y 1 A ARG 866 ? CG ? A ARG 784 CG 170 1 Y 1 A ARG 866 ? CD ? A ARG 784 CD 171 1 Y 1 A ARG 866 ? NE ? A ARG 784 NE 172 1 Y 1 A ARG 866 ? CZ ? A ARG 784 CZ 173 1 Y 1 A ARG 866 ? NH1 ? A ARG 784 NH1 174 1 Y 1 A ARG 866 ? NH2 ? A ARG 784 NH2 175 1 Y 1 B LYS 170 ? CG ? B LYS 88 CG 176 1 Y 1 B LYS 170 ? CD ? B LYS 88 CD 177 1 Y 1 B LYS 170 ? CE ? B LYS 88 CE 178 1 Y 1 B LYS 170 ? NZ ? B LYS 88 NZ 179 1 Y 1 B GLU 188 ? CG ? B GLU 106 CG 180 1 Y 1 B GLU 188 ? CD ? B GLU 106 CD 181 1 Y 1 B GLU 188 ? OE1 ? B GLU 106 OE1 182 1 Y 1 B GLU 188 ? OE2 ? B GLU 106 OE2 183 1 Y 1 B LYS 260 ? CG ? B LYS 178 CG 184 1 Y 1 B LYS 260 ? CD ? B LYS 178 CD 185 1 Y 1 B LYS 260 ? CE ? B LYS 178 CE 186 1 Y 1 B LYS 260 ? NZ ? B LYS 178 NZ 187 1 Y 1 B LYS 265 ? CG ? B LYS 183 CG 188 1 Y 1 B LYS 265 ? CD ? B LYS 183 CD 189 1 Y 1 B LYS 265 ? CE ? B LYS 183 CE 190 1 Y 1 B LYS 265 ? NZ ? B LYS 183 NZ 191 1 Y 1 B LYS 273 ? CG ? B LYS 191 CG 192 1 Y 1 B LYS 273 ? CD ? B LYS 191 CD 193 1 Y 1 B LYS 273 ? CE ? B LYS 191 CE 194 1 Y 1 B LYS 273 ? NZ ? B LYS 191 NZ 195 1 Y 1 B LYS 275 ? CG ? B LYS 193 CG 196 1 Y 1 B LYS 275 ? CD ? B LYS 193 CD 197 1 Y 1 B LYS 275 ? CE ? B LYS 193 CE 198 1 Y 1 B LYS 275 ? NZ ? B LYS 193 NZ 199 1 Y 1 B LYS 298 ? CG ? B LYS 216 CG 200 1 Y 1 B LYS 298 ? CD ? B LYS 216 CD 201 1 Y 1 B LYS 298 ? CE ? B LYS 216 CE 202 1 Y 1 B LYS 298 ? NZ ? B LYS 216 NZ 203 1 Y 1 B ILE 311 ? CD1 ? B ILE 229 CD1 204 1 Y 1 B LYS 320 ? CG ? B LYS 238 CG 205 1 Y 1 B LYS 320 ? CD ? B LYS 238 CD 206 1 Y 1 B LYS 320 ? CE ? B LYS 238 CE 207 1 Y 1 B LYS 320 ? NZ ? B LYS 238 NZ 208 1 Y 1 B HIS 344 ? CG ? B HIS 262 CG 209 1 Y 1 B HIS 344 ? ND1 ? B HIS 262 ND1 210 1 Y 1 B HIS 344 ? CD2 ? B HIS 262 CD2 211 1 Y 1 B HIS 344 ? CE1 ? B HIS 262 CE1 212 1 Y 1 B HIS 344 ? NE2 ? B HIS 262 NE2 213 1 Y 1 B GLU 345 ? CG ? B GLU 263 CG 214 1 Y 1 B GLU 345 ? CD ? B GLU 263 CD 215 1 Y 1 B GLU 345 ? OE1 ? B GLU 263 OE1 216 1 Y 1 B GLU 345 ? OE2 ? B GLU 263 OE2 217 1 Y 1 B LYS 414 ? CG ? B LYS 332 CG 218 1 Y 1 B LYS 414 ? CD ? B LYS 332 CD 219 1 Y 1 B LYS 414 ? CE ? B LYS 332 CE 220 1 Y 1 B LYS 414 ? NZ ? B LYS 332 NZ 221 1 Y 1 B LYS 421 ? CG ? B LYS 339 CG 222 1 Y 1 B LYS 421 ? CD ? B LYS 339 CD 223 1 Y 1 B LYS 421 ? CE ? B LYS 339 CE 224 1 Y 1 B LYS 421 ? NZ ? B LYS 339 NZ 225 1 Y 1 B LEU 423 ? CG ? B LEU 341 CG 226 1 Y 1 B LEU 423 ? CD1 ? B LEU 341 CD1 227 1 Y 1 B LEU 423 ? CD2 ? B LEU 341 CD2 228 1 Y 1 B LYS 430 ? CG ? B LYS 348 CG 229 1 Y 1 B LYS 430 ? CD ? B LYS 348 CD 230 1 Y 1 B LYS 430 ? CE ? B LYS 348 CE 231 1 Y 1 B LYS 430 ? NZ ? B LYS 348 NZ 232 1 Y 1 B ARG 440 ? CZ ? B ARG 358 CZ 233 1 Y 1 B ARG 440 ? NH1 ? B ARG 358 NH1 234 1 Y 1 B ARG 440 ? NH2 ? B ARG 358 NH2 235 1 Y 1 B ASP 443 ? CG ? B ASP 361 CG 236 1 Y 1 B ASP 443 ? OD1 ? B ASP 361 OD1 237 1 Y 1 B ASP 443 ? OD2 ? B ASP 361 OD2 238 1 Y 1 B GLU 446 ? CG ? B GLU 364 CG 239 1 Y 1 B GLU 446 ? CD ? B GLU 364 CD 240 1 Y 1 B GLU 446 ? OE1 ? B GLU 364 OE1 241 1 Y 1 B GLU 446 ? OE2 ? B GLU 364 OE2 242 1 Y 1 B GLU 454 ? CG ? B GLU 372 CG 243 1 Y 1 B GLU 454 ? CD ? B GLU 372 CD 244 1 Y 1 B GLU 454 ? OE1 ? B GLU 372 OE1 245 1 Y 1 B GLU 454 ? OE2 ? B GLU 372 OE2 246 1 Y 1 B LYS 458 ? CG ? B LYS 376 CG 247 1 Y 1 B LYS 458 ? CD ? B LYS 376 CD 248 1 Y 1 B LYS 458 ? CE ? B LYS 376 CE 249 1 Y 1 B LYS 458 ? NZ ? B LYS 376 NZ 250 1 Y 1 B LYS 485 ? CG ? B LYS 403 CG 251 1 Y 1 B LYS 485 ? CD ? B LYS 403 CD 252 1 Y 1 B LYS 485 ? CE ? B LYS 403 CE 253 1 Y 1 B LYS 485 ? NZ ? B LYS 403 NZ 254 1 Y 1 B ASN 505 ? CG ? B ASN 423 CG 255 1 Y 1 B ASN 505 ? OD1 ? B ASN 423 OD1 256 1 Y 1 B ASN 505 ? ND2 ? B ASN 423 ND2 257 1 Y 1 B LYS 588 ? CG ? B LYS 506 CG 258 1 Y 1 B LYS 588 ? CD ? B LYS 506 CD 259 1 Y 1 B LYS 588 ? CE ? B LYS 506 CE 260 1 Y 1 B LYS 588 ? NZ ? B LYS 506 NZ 261 1 Y 1 B PHE 592 ? CG ? B PHE 510 CG 262 1 Y 1 B PHE 592 ? CD1 ? B PHE 510 CD1 263 1 Y 1 B PHE 592 ? CD2 ? B PHE 510 CD2 264 1 Y 1 B PHE 592 ? CE1 ? B PHE 510 CE1 265 1 Y 1 B PHE 592 ? CE2 ? B PHE 510 CE2 266 1 Y 1 B PHE 592 ? CZ ? B PHE 510 CZ 267 1 Y 1 B GLN 595 ? CG ? B GLN 513 CG 268 1 Y 1 B GLN 595 ? CD ? B GLN 513 CD 269 1 Y 1 B GLN 595 ? OE1 ? B GLN 513 OE1 270 1 Y 1 B GLN 595 ? NE2 ? B GLN 513 NE2 271 1 Y 1 B LYS 599 ? CG ? B LYS 517 CG 272 1 Y 1 B LYS 599 ? CD ? B LYS 517 CD 273 1 Y 1 B LYS 599 ? CE ? B LYS 517 CE 274 1 Y 1 B LYS 599 ? NZ ? B LYS 517 NZ 275 1 Y 1 B ASP 610 ? CG ? B ASP 528 CG 276 1 Y 1 B ASP 610 ? OD1 ? B ASP 528 OD1 277 1 Y 1 B ASP 610 ? OD2 ? B ASP 528 OD2 278 1 Y 1 B LYS 647 ? CG ? B LYS 565 CG 279 1 Y 1 B LYS 647 ? CD ? B LYS 565 CD 280 1 Y 1 B LYS 647 ? CE ? B LYS 565 CE 281 1 Y 1 B LYS 647 ? NZ ? B LYS 565 NZ 282 1 Y 1 B GLN 648 ? CG ? B GLN 566 CG 283 1 Y 1 B GLN 648 ? CD ? B GLN 566 CD 284 1 Y 1 B GLN 648 ? OE1 ? B GLN 566 OE1 285 1 Y 1 B GLN 648 ? NE2 ? B GLN 566 NE2 286 1 Y 1 B LYS 705 ? CG ? B LYS 623 CG 287 1 Y 1 B LYS 705 ? CD ? B LYS 623 CD 288 1 Y 1 B LYS 705 ? CE ? B LYS 623 CE 289 1 Y 1 B LYS 705 ? NZ ? B LYS 623 NZ 290 1 Y 1 B LYS 710 ? CG ? B LYS 628 CG 291 1 Y 1 B LYS 710 ? CD ? B LYS 628 CD 292 1 Y 1 B LYS 710 ? CE ? B LYS 628 CE 293 1 Y 1 B LYS 710 ? NZ ? B LYS 628 NZ 294 1 Y 1 B ASN 726 ? CG ? B ASN 644 CG 295 1 Y 1 B ASN 726 ? OD1 ? B ASN 644 OD1 296 1 Y 1 B ASN 726 ? ND2 ? B ASN 644 ND2 297 1 Y 1 B HIS 731 ? CG ? B HIS 649 CG 298 1 Y 1 B HIS 731 ? ND1 ? B HIS 649 ND1 299 1 Y 1 B HIS 731 ? CD2 ? B HIS 649 CD2 300 1 Y 1 B HIS 731 ? CE1 ? B HIS 649 CE1 301 1 Y 1 B HIS 731 ? NE2 ? B HIS 649 NE2 302 1 Y 1 B GLN 747 ? CG ? B GLN 665 CG 303 1 Y 1 B GLN 747 ? CD ? B GLN 665 CD 304 1 Y 1 B GLN 747 ? OE1 ? B GLN 665 OE1 305 1 Y 1 B GLN 747 ? NE2 ? B GLN 665 NE2 306 1 Y 1 B LYS 794 ? CG ? B LYS 712 CG 307 1 Y 1 B LYS 794 ? CD ? B LYS 712 CD 308 1 Y 1 B LYS 794 ? CE ? B LYS 712 CE 309 1 Y 1 B LYS 794 ? NZ ? B LYS 712 NZ 310 1 Y 1 B GLU 804 ? CG ? B GLU 722 CG 311 1 Y 1 B GLU 804 ? CD ? B GLU 722 CD 312 1 Y 1 B GLU 804 ? OE1 ? B GLU 722 OE1 313 1 Y 1 B GLU 804 ? OE2 ? B GLU 722 OE2 314 1 Y 1 B ILE 845 ? CD1 ? B ILE 763 CD1 315 1 Y 1 B LYS 852 ? CG ? B LYS 770 CG 316 1 Y 1 B LYS 852 ? CD ? B LYS 770 CD 317 1 Y 1 B LYS 852 ? CE ? B LYS 770 CE 318 1 Y 1 B LYS 852 ? NZ ? B LYS 770 NZ 319 1 Y 1 B ARG 853 ? CG ? B ARG 771 CG 320 1 Y 1 B ARG 853 ? CD ? B ARG 771 CD 321 1 Y 1 B ARG 853 ? NE ? B ARG 771 NE 322 1 Y 1 B ARG 853 ? CZ ? B ARG 771 CZ 323 1 Y 1 B ARG 853 ? NH1 ? B ARG 771 NH1 324 1 Y 1 B ARG 853 ? NH2 ? B ARG 771 NH2 325 1 Y 1 B ARG 866 ? CG ? B ARG 784 CG 326 1 Y 1 B ARG 866 ? CD ? B ARG 784 CD 327 1 Y 1 B ARG 866 ? NE ? B ARG 784 NE 328 1 Y 1 B ARG 866 ? CZ ? B ARG 784 CZ 329 1 Y 1 B ARG 866 ? NH1 ? B ARG 784 NH1 330 1 Y 1 B ARG 866 ? NH2 ? B ARG 784 NH2 # 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 TRP 51 ? A TRP 1 2 1 Y 1 A THR 52 ? A THR 2 3 1 Y 1 A ASN 53 ? A ASN 3 4 1 Y 1 A THR 54 ? A THR 4 5 1 Y 1 A SER 55 ? A SER 5 6 1 Y 1 A GLY 56 ? A GLY 6 7 1 Y 1 A SER 57 ? A SER 7 8 1 Y 1 A CYS 58 ? A CYS 8 9 1 Y 1 A ARG 59 ? A ARG 9 10 1 Y 1 A GLY 92 ? A GLY 10 11 1 Y 1 A ARG 93 ? A ARG 11 12 1 Y 1 A CYS 94 ? A CYS 12 13 1 Y 1 A PHE 95 ? A PHE 13 14 1 Y 1 A GLU 96 ? A GLU 14 15 1 Y 1 A ARG 97 ? A ARG 15 16 1 Y 1 A THR 98 ? A THR 16 17 1 Y 1 A PHE 99 ? A PHE 17 18 1 Y 1 A SER 100 ? A SER 18 19 1 Y 1 A ASN 101 ? A ASN 19 20 1 Y 1 A CYS 102 ? A CYS 20 21 1 Y 1 A ARG 103 ? A ARG 21 22 1 Y 1 A CYS 104 ? A CYS 22 23 1 Y 1 A ASP 105 ? A ASP 23 24 1 Y 1 A ALA 106 ? A ALA 24 25 1 Y 1 A ALA 107 ? A ALA 25 26 1 Y 1 A CYS 108 ? A CYS 26 27 1 Y 1 A VAL 109 ? A VAL 27 28 1 Y 1 A SER 110 ? A SER 28 29 1 Y 1 A LEU 111 ? A LEU 29 30 1 Y 1 A GLY 112 ? A GLY 30 31 1 Y 1 A ASN 113 ? A ASN 31 32 1 Y 1 A CYS 114 ? A CYS 32 33 1 Y 1 A CYS 115 ? A CYS 33 34 1 Y 1 A LEU 116 ? A LEU 34 35 1 Y 1 A ASP 117 ? A ASP 35 36 1 Y 1 A PHE 118 ? A PHE 36 37 1 Y 1 A GLN 119 ? A GLN 37 38 1 Y 1 A GLU 120 ? A GLU 38 39 1 Y 1 A THR 121 ? A THR 39 40 1 Y 1 A CYS 122 ? A CYS 40 41 1 Y 1 A VAL 123 ? A VAL 41 42 1 Y 1 A GLU 124 ? A GLU 42 43 1 Y 1 A PRO 125 ? A PRO 43 44 1 Y 1 A THR 126 ? A THR 44 45 1 Y 1 A HIS 127 ? A HIS 45 46 1 Y 1 A ILE 128 ? A ILE 46 47 1 Y 1 A TRP 129 ? A TRP 47 48 1 Y 1 A THR 130 ? A THR 48 49 1 Y 1 A CYS 131 ? A CYS 49 50 1 Y 1 A ASN 132 ? A ASN 50 51 1 Y 1 A LYS 133 ? A LYS 51 52 1 Y 1 A PHE 134 ? A PHE 52 53 1 Y 1 A ARG 135 ? A ARG 53 54 1 Y 1 A CYS 136 ? A CYS 54 55 1 Y 1 A GLY 137 ? A GLY 55 56 1 Y 1 A GLU 138 ? A GLU 56 57 1 Y 1 A LYS 139 ? A LYS 57 58 1 Y 1 A ARG 140 ? A ARG 58 59 1 Y 1 A LEU 141 ? A LEU 59 60 1 Y 1 A SER 142 ? A SER 60 61 1 Y 1 A ARG 143 ? A ARG 61 62 1 Y 1 A PHE 144 ? A PHE 62 63 1 Y 1 A VAL 145 ? A VAL 63 64 1 Y 1 A CYS 146 ? A CYS 64 65 1 Y 1 A SER 147 ? A SER 65 66 1 Y 1 A CYS 148 ? A CYS 66 67 1 Y 1 A ALA 149 ? A ALA 67 68 1 Y 1 A ASP 150 ? A ASP 68 69 1 Y 1 A ASP 151 ? A ASP 69 70 1 Y 1 A CYS 152 ? A CYS 70 71 1 Y 1 A LYS 153 ? A LYS 71 72 1 Y 1 A THR 154 ? A THR 72 73 1 Y 1 A HIS 155 ? A HIS 73 74 1 Y 1 A ASN 156 ? A ASN 74 75 1 Y 1 A ASP 157 ? A ASP 75 76 1 Y 1 A CYS 158 ? A CYS 76 77 1 Y 1 A CYS 159 ? A CYS 77 78 1 Y 1 A ILE 160 ? A ILE 78 79 1 Y 1 A ASN 161 ? A ASN 79 80 1 Y 1 A TYR 162 ? A TYR 80 81 1 Y 1 A SER 163 ? A SER 81 82 1 Y 1 A SER 164 ? A SER 82 83 1 Y 1 A VAL 165 ? A VAL 83 84 1 Y 1 A CYS 166 ? A CYS 84 85 1 Y 1 A GLN 167 ? A GLN 85 86 1 Y 1 A ASP 168 ? A ASP 86 87 1 Y 1 A LYS 169 ? A LYS 87 88 1 Y 1 A TRP 612 ? A TRP 530 89 1 Y 1 A ILE 613 ? A ILE 531 90 1 Y 1 A VAL 614 ? A VAL 532 91 1 Y 1 A PRO 615 ? A PRO 533 92 1 Y 1 A ILE 616 ? A ILE 534 93 1 Y 1 A LYS 617 ? A LYS 535 94 1 Y 1 A ASP 618 ? A ASP 536 95 1 Y 1 A PHE 619 ? A PHE 537 96 1 Y 1 A GLU 620 ? A GLU 538 97 1 Y 1 A LYS 621 ? A LYS 539 98 1 Y 1 A GLN 622 ? A GLN 540 99 1 Y 1 A LEU 623 ? A LEU 541 100 1 Y 1 A ASN 624 ? A ASN 542 101 1 Y 1 A LEU 625 ? A LEU 543 102 1 Y 1 A THR 626 ? A THR 544 103 1 Y 1 A THR 627 ? A THR 545 104 1 Y 1 A GLN 682 ? A GLN 600 105 1 Y 1 A PHE 683 ? A PHE 601 106 1 Y 1 A SER 684 ? A SER 602 107 1 Y 1 A ARG 685 ? A ARG 603 108 1 Y 1 A ASP 686 ? A ASP 604 109 1 Y 1 A ASP 687 ? A ASP 605 110 1 Y 1 A PHE 688 ? A PHE 606 111 1 Y 1 A ARG 727 ? A ARG 645 112 1 Y 1 A VAL 728 ? A VAL 646 113 1 Y 1 A SER 729 ? A SER 647 114 1 Y 1 A ASN 730 ? A ASN 648 115 1 Y 1 A GLN 903 ? A GLN 821 116 1 Y 1 A GLU 904 ? A GLU 822 117 1 Y 1 A ASP 905 ? A ASP 823 118 1 Y 1 B TRP 51 ? B TRP 1 119 1 Y 1 B THR 52 ? B THR 2 120 1 Y 1 B ASN 53 ? B ASN 3 121 1 Y 1 B THR 54 ? B THR 4 122 1 Y 1 B SER 55 ? B SER 5 123 1 Y 1 B GLY 56 ? B GLY 6 124 1 Y 1 B SER 57 ? B SER 7 125 1 Y 1 B CYS 58 ? B CYS 8 126 1 Y 1 B ARG 59 ? B ARG 9 127 1 Y 1 B GLY 92 ? B GLY 10 128 1 Y 1 B ARG 93 ? B ARG 11 129 1 Y 1 B CYS 94 ? B CYS 12 130 1 Y 1 B PHE 95 ? B PHE 13 131 1 Y 1 B GLU 96 ? B GLU 14 132 1 Y 1 B ARG 97 ? B ARG 15 133 1 Y 1 B THR 98 ? B THR 16 134 1 Y 1 B PHE 99 ? B PHE 17 135 1 Y 1 B SER 100 ? B SER 18 136 1 Y 1 B ASN 101 ? B ASN 19 137 1 Y 1 B CYS 102 ? B CYS 20 138 1 Y 1 B ARG 103 ? B ARG 21 139 1 Y 1 B CYS 104 ? B CYS 22 140 1 Y 1 B ASP 105 ? B ASP 23 141 1 Y 1 B ALA 106 ? B ALA 24 142 1 Y 1 B ALA 107 ? B ALA 25 143 1 Y 1 B CYS 108 ? B CYS 26 144 1 Y 1 B VAL 109 ? B VAL 27 145 1 Y 1 B SER 110 ? B SER 28 146 1 Y 1 B LEU 111 ? B LEU 29 147 1 Y 1 B GLY 112 ? B GLY 30 148 1 Y 1 B ASN 113 ? B ASN 31 149 1 Y 1 B CYS 114 ? B CYS 32 150 1 Y 1 B CYS 115 ? B CYS 33 151 1 Y 1 B LEU 116 ? B LEU 34 152 1 Y 1 B ASP 117 ? B ASP 35 153 1 Y 1 B PHE 118 ? B PHE 36 154 1 Y 1 B GLN 119 ? B GLN 37 155 1 Y 1 B GLU 120 ? B GLU 38 156 1 Y 1 B THR 121 ? B THR 39 157 1 Y 1 B CYS 122 ? B CYS 40 158 1 Y 1 B VAL 123 ? B VAL 41 159 1 Y 1 B GLU 124 ? B GLU 42 160 1 Y 1 B PRO 125 ? B PRO 43 161 1 Y 1 B THR 126 ? B THR 44 162 1 Y 1 B HIS 127 ? B HIS 45 163 1 Y 1 B ILE 128 ? B ILE 46 164 1 Y 1 B TRP 129 ? B TRP 47 165 1 Y 1 B THR 130 ? B THR 48 166 1 Y 1 B CYS 131 ? B CYS 49 167 1 Y 1 B ASN 132 ? B ASN 50 168 1 Y 1 B LYS 133 ? B LYS 51 169 1 Y 1 B PHE 134 ? B PHE 52 170 1 Y 1 B ARG 135 ? B ARG 53 171 1 Y 1 B CYS 136 ? B CYS 54 172 1 Y 1 B GLY 137 ? B GLY 55 173 1 Y 1 B GLU 138 ? B GLU 56 174 1 Y 1 B LYS 139 ? B LYS 57 175 1 Y 1 B ARG 140 ? B ARG 58 176 1 Y 1 B LEU 141 ? B LEU 59 177 1 Y 1 B SER 142 ? B SER 60 178 1 Y 1 B ARG 143 ? B ARG 61 179 1 Y 1 B PHE 144 ? B PHE 62 180 1 Y 1 B VAL 145 ? B VAL 63 181 1 Y 1 B CYS 146 ? B CYS 64 182 1 Y 1 B SER 147 ? B SER 65 183 1 Y 1 B CYS 148 ? B CYS 66 184 1 Y 1 B ALA 149 ? B ALA 67 185 1 Y 1 B ASP 150 ? B ASP 68 186 1 Y 1 B ASP 151 ? B ASP 69 187 1 Y 1 B CYS 152 ? B CYS 70 188 1 Y 1 B LYS 153 ? B LYS 71 189 1 Y 1 B THR 154 ? B THR 72 190 1 Y 1 B HIS 155 ? B HIS 73 191 1 Y 1 B ASN 156 ? B ASN 74 192 1 Y 1 B ASP 157 ? B ASP 75 193 1 Y 1 B CYS 158 ? B CYS 76 194 1 Y 1 B CYS 159 ? B CYS 77 195 1 Y 1 B ILE 160 ? B ILE 78 196 1 Y 1 B ASN 161 ? B ASN 79 197 1 Y 1 B TYR 162 ? B TYR 80 198 1 Y 1 B SER 163 ? B SER 81 199 1 Y 1 B SER 164 ? B SER 82 200 1 Y 1 B VAL 165 ? B VAL 83 201 1 Y 1 B CYS 166 ? B CYS 84 202 1 Y 1 B GLN 167 ? B GLN 85 203 1 Y 1 B ASP 168 ? B ASP 86 204 1 Y 1 B LYS 169 ? B LYS 87 205 1 Y 1 B GLU 508 ? B GLU 426 206 1 Y 1 B ARG 509 ? B ARG 427 207 1 Y 1 B LYS 510 ? B LYS 428 208 1 Y 1 B TRP 612 ? B TRP 530 209 1 Y 1 B ILE 613 ? B ILE 531 210 1 Y 1 B VAL 614 ? B VAL 532 211 1 Y 1 B PRO 615 ? B PRO 533 212 1 Y 1 B ILE 616 ? B ILE 534 213 1 Y 1 B LYS 617 ? B LYS 535 214 1 Y 1 B ASP 618 ? B ASP 536 215 1 Y 1 B PHE 619 ? B PHE 537 216 1 Y 1 B GLU 620 ? B GLU 538 217 1 Y 1 B LYS 621 ? B LYS 539 218 1 Y 1 B GLN 622 ? B GLN 540 219 1 Y 1 B LEU 623 ? B LEU 541 220 1 Y 1 B ASN 624 ? B ASN 542 221 1 Y 1 B LEU 625 ? B LEU 543 222 1 Y 1 B THR 626 ? B THR 544 223 1 Y 1 B THR 627 ? B THR 545 224 1 Y 1 B GLU 628 ? B GLU 546 225 1 Y 1 B GLN 682 ? B GLN 600 226 1 Y 1 B PHE 683 ? B PHE 601 227 1 Y 1 B SER 684 ? B SER 602 228 1 Y 1 B ARG 685 ? B ARG 603 229 1 Y 1 B ASP 686 ? B ASP 604 230 1 Y 1 B ASP 687 ? B ASP 605 231 1 Y 1 B PHE 688 ? B PHE 606 232 1 Y 1 B SER 689 ? B SER 607 233 1 Y 1 B SER 711 ? B SER 629 234 1 Y 1 B ASN 712 ? B ASN 630 235 1 Y 1 B SER 713 ? B SER 631 236 1 Y 1 B LYS 714 ? B LYS 632 237 1 Y 1 B ARG 727 ? B ARG 645 238 1 Y 1 B VAL 728 ? B VAL 646 239 1 Y 1 B SER 729 ? B SER 647 240 1 Y 1 B ASN 730 ? B ASN 648 241 1 Y 1 B GLN 903 ? B GLN 821 242 1 Y 1 B GLU 904 ? B GLU 822 243 1 Y 1 B ASP 905 ? B ASP 823 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 'ADENOSINE MONOPHOSPHATE' AMP 6 'ZINC ION' ZN 7 'CALCIUM ION' CA 8 water HOH #