data_2ke4_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ke4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.332 -0.247 . . . . 73.43 110.332 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.415 ' NE2' ' HG2' ' A' ' 345' ' ' LYS . 0.0 OUTLIER -91.23 -21.41 21.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 72.05 110.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -57.87 -43.92 86.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 75.42 110.347 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.484 ' HA ' ' CD1' ' A' ' 347' ' ' LEU . 2.5 ptm180 -74.71 -6.08 46.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 64.13 110.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 345' ' ' LYS . 2.3 tptt -88.54 -9.85 50.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 74.2 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -84.22 -61.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.15 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 344' ' ' ARG . 0.5 OUTLIER -48.94 -52.74 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 74.05 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.452 ' HG3' ' CD1' ' A' ' 412' ' ' LEU . 59.4 mt-30 -38.67 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.11 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.555 ' H ' ' NE2' ' A' ' 349' ' ' GLN . 1.4 mp0 -45.49 -60.16 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.4 110.276 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -48.43 -26.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 73.32 110.291 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 408' ' ' TYR . 1.1 tm? -76.19 -44.73 36.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 63.43 109.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.77 -22.36 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 74.43 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 356' ' ' ARG . 2.9 mm-40 -90.15 -56.38 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 110.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 404' ' ' GLU . 1.6 tpt180 -46.88 -24.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.11 110.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.4 t -92.56 -32.34 14.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.31 110.015 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 353' ' ' GLU . 6.3 mmm-85 -62.59 -53.23 57.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 73.44 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.447 ' CD ' ' CD2' ' A' ' 401' ' ' LEU . 2.4 pt-20 -63.45 -12.55 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.13 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 3.3 tt -85.52 -48.69 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.23 109.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.07 -14.09 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 73.3 110.258 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -81.55 -31.57 32.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 74.31 109.302 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 365' ' ' ARG . 5.5 mt-10 -90.16 -22.64 21.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 73.43 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.459 ' CG2' HD22 ' A' ' 358' ' ' LEU . 3.1 t -78.95 -37.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 74.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.61 -30.57 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 44.52 109.319 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.451 ' HA ' ' CB ' ' A' ' 367' ' ' ALA . 5.8 pt20 -104.66 -23.95 13.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 62.23 110.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -38.85 -48.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 75.31 110.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -87.8 -23.42 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 73.24 110.248 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 364' ' ' GLN . . . -70.06 -20.2 63.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 60.21 109.303 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 9.7 mt -58.63 -55.13 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.4 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . 0.43 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 5.3 mtmp? -49.46 -36.88 24.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.44 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.414 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 15.1 mtmt -76.31 -32.92 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 74.24 109.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.436 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 52.2 mmm -66.84 -8.11 26.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 75.11 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.462 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 10.2 mtpt -90.78 -56.61 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 75.12 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 9.5 t0 -50.42 -41.66 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 74.31 109.249 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 375' ' ' TYR . 10.4 m -50.27 -35.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.3 109.291 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.56 ' CD1' HG23 ' A' ' 374' ' ' VAL . 20.0 m-30 -90.24 -33.01 16.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 70.43 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.72 -27.04 58.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 74.12 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.8 OUTLIER -114.75 -35.84 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 74.15 109.301 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.2 m -131.53 69.22 81.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 73.13 110.397 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . 0.477 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -74.97 0.95 8.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.499 1.789 . . . . 51.14 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -71.47 -7.24 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 60.14 110.251 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -113.18 -4.84 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.24 110.976 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 168.12 171.56 34.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 71.4 110.979 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -120.08 143.43 35.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 75.42 109.292 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 74.22 111.02 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -68.55 -13.67 62.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 72.24 109.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 9.8 t -100.63 8.7 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 74.3 110.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 375' ' ' TYR . 97.6 mt -114.22 -1.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 74.02 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.92 -47.98 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.51 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.94 -6.56 18.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 75.11 111.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -99.44 -33.74 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.5 110.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.462 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 24.0 mt -65.51 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.24 109.29 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 74.53 109.359 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.29 -38.8 49.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 73.12 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.439 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 3.4 m -79.38 -18.39 52.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 63.54 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 3.0 mm? -93.6 -28.22 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 73.31 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 41.2 m -90.92 -20.54 22.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.22 109.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 399' ' ' GLU . 79.3 m-20 -84.22 -51.91 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 74.13 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.439 ' CD1' ' O ' ' A' ' 394' ' ' THR . 52.5 mt -44.81 -27.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 75.43 109.25 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.5 OUTLIER -75.85 -57.88 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 71.52 110.254 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 400' ' ' ARG . 4.8 ptp180 -66.62 -9.39 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.54 110.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.447 ' CD2' ' CD ' ' A' ' 357' ' ' GLU . 4.2 mt -89.91 -67.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 74.44 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.46 ' CA ' HD11 ' A' ' 358' ' ' LEU . 6.4 ptmt -49.92 -46.23 51.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 73.53 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.77 -48.67 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 74.01 109.331 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 43.4 mm-40 -68.29 -31.81 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.24 110.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.467 ' HA ' ' CD2' ' A' ' 351' ' ' LEU . 62.3 t -73.42 -5.09 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 71.51 109.284 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -99.38 -58.4 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 74.42 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.3 ptpp? -45.78 -43.57 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 74.34 109.26 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.468 ' CB ' HD23 ' A' ' 351' ' ' LEU . 4.5 m-85 -63.14 -59.33 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.14 110.955 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.54 -20.59 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 75.14 110.289 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.37 -24.1 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.3 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 43.5 m0 -69.3 -40.67 77.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.956 -1.127 . . . . 75.22 107.956 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.452 ' CD1' ' HG3' ' A' ' 348' ' ' GLN . 4.1 mm? -40.47 -44.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 72.35 109.331 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.05 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 73.41 109.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.84 -15.1 62.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 75.04 110.278 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -102.05 -57.65 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 74.31 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 419' ' ' VAL . 6.7 mt-10 -49.21 -34.0 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.34 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 38.3 t -42.66 -35.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 71.25 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.06 -44.31 96.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 75.31 110.307 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 416' ' ' GLU . 40.7 t -64.94 -61.31 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 62.22 109.263 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 74.34 109.332 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.353 -0.24 . . . . 75.53 110.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.21 -18.08 18.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 74.21 110.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -69.27 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 74.23 110.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 10.3 ptm180 -70.79 -19.99 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 73.14 110.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -65.3 -44.19 88.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.34 109.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 346' ' ' ARG . 0.4 OUTLIER -59.1 -66.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 73.41 110.256 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 346' ' ' ARG . 3.3 mt -34.6 -67.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.11 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.414 ' NE2' HD11 ' A' ' 412' ' ' LEU . 77.2 mt-30 -40.49 -55.13 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.5 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -52.82 -62.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 73.2 110.324 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.38 -17.08 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 71.41 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.511 ' CD1' ' CG ' ' A' ' 409' ' ' GLU . 1.6 tt -68.64 -51.91 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 61.31 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 17.5 tt0 -64.4 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 61.5 110.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.69 -48.9 70.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 73.11 110.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.436 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 3.9 tpt180 -66.2 -37.47 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 72.44 110.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.7 t -76.39 -2.5 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.54 110.018 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 3.0 mmt-85 -98.24 -20.32 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 73.11 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.463 ' OE2' ' CD2' ' A' ' 401' ' ' LEU . 5.4 pt-20 -102.16 -16.47 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 72.22 110.3 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.481 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.6 OUTLIER -75.24 -52.23 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 72.33 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -63.87 -13.18 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 74.13 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -89.2 -34.04 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 75.23 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 365' ' ' ARG . 9.1 mm-40 -82.17 -29.79 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 74.52 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 3.1 t -79.16 -33.9 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.03 109.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.88 -31.74 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 71.21 109.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.0 pt20 -103.92 -22.78 13.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.41 110.311 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -38.73 -51.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 73.35 110.299 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.08 -23.94 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.41 110.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -68.66 -22.94 64.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 63.12 109.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 12.3 mt -57.62 -53.76 54.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 74.53 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -54.0 -31.31 50.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 75.34 109.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.4 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 18.9 mtmt -72.06 -38.08 69.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 72.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 371' ' ' MET . . . . . . . . . . . . . 60.1 mmm -62.16 -12.02 17.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 75.33 111.001 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 1.1 mtpm? -88.58 -54.84 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 72.12 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -51.2 -40.89 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 70.23 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.535 HG22 ' CE1' ' A' ' 375' ' ' TYR . 4.4 m -53.48 -33.35 21.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.03 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.603 ' CE1' ' N ' ' A' ' 382' ' ' GLY . 19.5 m-30 -92.21 -23.11 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.23 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.45 -26.4 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 70.34 110.294 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -36.64 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 73.45 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.485 ' CG2' ' OE1' ' A' ' 380' ' ' GLN . 8.3 m -128.49 87.99 53.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 73.25 110.37 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.28 9.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 62.51 111.06 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . 0.485 ' OE1' ' CG2' ' A' ' 378' ' ' THR . 3.0 pt20 -77.8 -6.8 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 74.44 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.432 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 9.8 mtt -89.61 -51.15 5.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.04 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.603 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -167.8 -149.82 6.26 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.49 1.119 . . . . 75.44 110.987 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.43 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 1.7 t0 -134.95 139.75 33.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 73.41 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 75.44 110.976 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.9 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.235 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 19.3 m -99.92 8.04 44.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.42 109.995 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 391' ' ' ILE . 14.1 mt -116.19 -0.51 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 75.03 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.6 mt-10 -79.5 -48.33 1.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.22 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -7.83 19.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 74.54 111.012 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -98.94 -34.73 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 64.51 110.316 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 10.8 mt -64.54 -62.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.44 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.17 -21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 74.11 109.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.76 -38.48 46.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.22 110.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.495 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 2.5 m -79.82 -18.48 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 72.33 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 3.2 mm? -92.56 -27.89 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 71.24 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 28.4 t -94.19 -7.03 43.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 62.31 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -100.0 -32.37 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 75.43 109.361 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.504 ' O ' ' CD ' ' A' ' 402' ' ' LYS . 31.0 mt -66.75 -25.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.12 109.374 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.3 OUTLIER -77.46 -23.43 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 74.45 110.318 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 8.4 mtp180 -96.45 -27.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.41 110.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.463 ' CD2' ' OE2' ' A' ' 357' ' ' GLU . 51.0 mt -65.15 -72.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 75.2 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 10.5 ptmt -49.3 -47.34 47.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 73.01 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.421 ' CG ' ' O ' ' A' ' 399' ' ' GLU . 2.1 mm? -52.01 -50.5 61.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 75.43 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.61 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 38.0 mm-40 -65.56 -30.83 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 64.21 110.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 401' ' ' LEU . 9.6 t -78.93 -4.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 75.54 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 407' ' ' LYS . 15.2 mt-30 -98.83 -58.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 64.15 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -40.48 -46.85 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 74.34 109.257 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.4 m-85 -60.53 -60.02 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.42 111.027 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.511 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 4.3 mt-10 -54.19 -19.15 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 74.34 110.354 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.23 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 73.54 109.337 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.1 m0 -74.88 -40.2 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 73.21 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 411' ' ' TRP . 3.9 mm? -38.38 -43.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 72.1 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.54 -41.6 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 71.32 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -61.44 -15.53 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 64.14 110.258 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.93 -68.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 70.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.499 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 37.4 mt-10 -38.83 -42.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 74.43 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 12.4 t -41.16 -49.64 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 75.34 109.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -56.7 -41.09 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 73.3 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 416' ' ' GLU . 47.9 t -60.78 -66.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 75.13 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 75.34 109.288 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.3 -0.259 . . . . 71.23 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -98.28 -13.56 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 72.41 110.315 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -86.29 -46.96 9.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 62.54 110.323 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.521 ' NH1' ' CG ' ' A' ' 416' ' ' GLU . 3.5 ptm85 -59.1 -22.39 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 71.54 110.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 346' ' ' ARG . 0.5 OUTLIER -64.02 -42.01 97.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 75.12 109.299 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 347' ' ' LEU . 20.2 mmm180 -55.67 -59.44 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 73.51 110.3 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 408' ' ' TYR . 0.4 OUTLIER -36.07 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 62.44 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 347' ' ' LEU . 27.2 mt-30 -38.01 -57.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 73.25 110.335 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -47.78 -64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 74.54 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 408' ' ' TYR . 29.6 mm-40 -60.73 -15.96 34.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 75.2 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 347' ' ' LEU . 0.9 OUTLIER -73.02 -38.41 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 72.51 109.296 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -89.79 -6.28 56.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 74.42 110.271 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -96.27 -42.47 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 73.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.403 ' CG ' HG21 ' A' ' 405' ' ' VAL . 3.5 tpt180 -68.71 -39.35 80.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 75.41 110.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 9.7 p -76.04 -4.59 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 71.52 110.03 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -89.84 -29.96 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 73.1 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -98.04 -20.95 17.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 75.14 110.325 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.488 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.2 OUTLIER -65.61 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 74.24 109.293 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 43.7 tp60 -45.94 -26.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 71.25 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -71.86 -61.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 74.43 109.283 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 361' ' ' GLU . 0.2 OUTLIER -50.5 -41.88 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 74.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.455 ' CG2' HG12 ' A' ' 398' ' ' ILE . 3.0 t -75.14 -36.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 73.25 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.2 OUTLIER -58.51 -41.55 85.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 65.51 109.277 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.0 pt20 -92.7 -23.11 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 72.1 110.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -38.99 -54.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 63.52 110.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -80.23 -22.94 41.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 73.55 110.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -69.66 -23.81 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 74.14 109.303 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 15.9 mt -56.56 -52.51 64.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 65.3 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . 0.424 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 1.6 mtpm? -53.04 -30.08 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 73.22 109.273 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -81.79 -31.56 31.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 75.23 109.315 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.436 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 57.8 mmm -69.47 -6.79 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 75.44 111.037 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.468 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.6 mtpt -90.93 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 74.44 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 15.1 t0 -50.42 -41.4 52.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 75.25 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.568 HG22 ' CD1' ' A' ' 375' ' ' TYR . 9.5 m -50.66 -35.12 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 75.21 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.568 ' CD1' HG22 ' A' ' 374' ' ' VAL . 19.7 m-30 -90.11 -32.58 16.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 74.42 110.985 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -57.06 -27.73 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 71.24 110.338 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.1 OUTLIER -114.12 -35.04 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 73.21 109.33 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.455 ' O ' ' CG ' ' A' ' 381' ' ' MET . 55.0 m -132.03 69.06 80.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 74.1 110.43 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . 0.485 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.27 7.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 73.2 110.998 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -72.68 -3.99 28.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.23 110.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.455 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.84 -4.24 11.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.21 111.004 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 169.14 175.55 38.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 71.3 110.996 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.08 142.63 41.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 64.11 109.276 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.64 10.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.44 111.012 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.33 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.34 109.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 3.8 t -100.04 8.96 43.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 70.45 110.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 391' ' ' ILE . 96.0 mt -114.27 -2.4 13.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 74.34 109.342 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.7 mt-10 -78.03 -47.97 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 75.01 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.09 -6.75 18.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 73.51 110.958 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -98.24 -34.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 74.12 110.276 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 387' ' ' LEU . 7.4 mt -61.57 -65.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.31 109.265 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.56 -18.81 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 71.43 109.338 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.416 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 11.6 tt0 -78.48 -36.71 44.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 65.41 110.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 398' ' ' ILE . 4.5 m -68.79 -43.8 74.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 62.31 110.398 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.1 -48.82 80.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.34 109.286 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 19.2 m -69.88 -21.69 63.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 71.34 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.477 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 89.7 m-20 -90.55 -13.76 33.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 74.44 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.455 HG12 ' CG2' ' A' ' 362' ' ' VAL . 13.2 mt -87.43 -29.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.11 109.291 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.57 -17.91 34.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 61.45 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.9 ptp180 -92.06 -7.87 47.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.41 110.346 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 12.4 mt -96.74 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 71.13 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.54 -52.83 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 75.22 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.69 -52.2 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 71.13 109.296 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 64.2 mm-40 -66.75 -27.99 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.01 110.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 401' ' ' LEU . 11.3 t -77.7 -5.08 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 74.33 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -98.89 -58.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.22 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.26 -43.23 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 75.41 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 350' ' ' GLN . 9.0 m-85 -62.25 -60.16 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.53 110.981 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 351' ' ' LEU . 9.1 mm-40 -54.02 -19.76 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 70.1 110.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.01 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.44 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 42.3 m0 -73.25 -42.29 62.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 73.12 107.99 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.516 ' CD1' ' NH2' ' A' ' 344' ' ' ARG . 4.5 mm? -40.53 -43.41 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 75.31 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.91 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 62.01 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.3 mm-40 -65.02 -14.27 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 74.42 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.6 -65.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 72.33 109.28 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.521 ' CG ' ' NH1' ' A' ' 344' ' ' ARG . 0.2 OUTLIER -38.85 -57.14 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 74.25 110.298 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 t -43.6 -48.75 7.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 73.42 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.34 -44.45 84.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 72.45 110.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 67.0 t -55.2 -73.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 70.11 109.305 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 72.23 109.31 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . 0.413 ' HA ' ' NH2' ' A' ' 344' ' ' ARG . 32.7 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.308 -0.256 . . . . 62.21 110.308 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 345' ' ' LYS . 9.5 mt-30 -90.68 -37.05 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 64.12 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -42.01 -29.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.53 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.549 ' NH2' ' CG2' ' A' ' 419' ' ' VAL . 7.3 ptp180 -87.23 -38.99 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 73.14 110.336 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.7 ptmt -59.79 -34.75 73.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 73.02 109.278 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 347' ' ' LEU . 11.2 mmt180 -63.1 -54.88 30.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 74.22 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 411' ' ' TRP . 7.2 mt -39.69 -69.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 73.12 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 351' ' ' LEU . 27.3 mt-30 -40.62 -65.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 75.23 110.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 352' ' ' GLU . 0.8 OUTLIER -41.81 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 71.15 110.331 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 408' ' ' TYR . 32.7 mm-40 -46.32 -25.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 75.11 110.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.51 ' CD1' ' CG ' ' A' ' 409' ' ' GLU . 1.0 OUTLIER -68.91 -45.59 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.4 109.285 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 349' ' ' GLN . 2.1 tt0 -69.1 -28.99 66.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.42 110.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -72.8 -57.37 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 64.43 110.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -60.42 -31.74 70.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.03 110.265 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.5 t -78.51 -35.32 46.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -37.82 76.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 75.14 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -86.43 -6.47 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 75.01 110.339 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 401' ' ' LEU . 0.0 OUTLIER -88.76 -41.87 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 74.35 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 69.7 tp60 -66.06 -9.83 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.42 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -12.8 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 72.33 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.57 -41.51 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 72.13 110.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 358' ' ' LEU . 1.9 t -77.24 -19.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 74.45 109.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 2.9 t0 -76.76 -25.81 53.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 65.24 109.252 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 367' ' ' ALA . 6.8 pt20 -105.35 -25.32 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 65.42 110.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.53 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -44.23 -37.69 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 75.01 110.287 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 365' ' ' ARG . 3.7 pt-20 -85.74 -25.89 26.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.45 110.25 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -67.04 -45.63 76.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 74.11 109.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 10.3 mt -40.1 -61.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.22 109.253 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -45.76 -41.51 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 74.32 109.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 367' ' ' ALA . 21.7 mtmt -65.66 -39.97 91.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 74.22 109.277 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.457 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 38.5 mmm -60.47 -13.38 13.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 74.24 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 16.2 mtpt -88.41 -54.53 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 75.41 109.235 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.9 t0 -51.55 -40.5 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 71.11 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.515 HG21 ' CE1' ' A' ' 375' ' ' TYR . 4.4 m -53.26 -33.05 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 74.2 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.515 ' CE1' HG21 ' A' ' 374' ' ' VAL . 19.8 m-30 -92.73 -23.72 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 71.43 111.011 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.15 -27.35 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.41 110.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 1.1 ptmt -113.89 -35.59 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.53 109.302 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.402 ' HB ' ' CE ' ' A' ' 381' ' ' MET . 7.8 m -127.98 86.24 58.65 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.54 110.383 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 73.24 111.029 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -81.38 -2.46 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 73.14 110.302 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.402 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 7.5 mtt -89.75 -50.67 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 63.33 110.986 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.458 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -166.61 -141.02 3.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 75.45 111.023 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.46 132.91 15.62 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.11 109.279 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.45 11.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 72.4 111.057 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 72.24 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 29.7 t -99.69 4.87 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.03 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 371' ' ' MET . 19.1 mt -110.54 -2.84 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 74.42 109.32 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -78.01 -47.96 2.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 71.52 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.04 -5.77 17.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 71.53 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -99.38 -32.03 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.2 110.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 8.5 mt -66.08 -71.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 74.34 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . 0.409 ' N ' HG21 ' A' ' 391' ' ' ILE . . . -47.77 -24.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 54.33 109.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 7.8 tt0 -72.91 -40.59 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.22 110.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 391' ' ' ILE . 89.5 m -75.9 -46.42 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 72.43 110.39 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.86 -53.37 58.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.42 109.316 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 11.4 t -63.73 -23.19 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 71.51 110.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 58.5 m-20 -84.76 -20.63 30.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 73.21 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.461 ' CD1' ' CB ' ' A' ' 365' ' ' ARG . 38.2 mt -79.57 -47.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 75.25 109.244 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -36.08 81.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 74.33 110.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -79.97 -7.16 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 71.55 110.299 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 358' ' ' LEU . 3.6 mt -96.77 -75.13 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 72.01 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -40.21 -42.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 73.34 109.289 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -51.61 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 74.42 109.338 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.7 mm-40 -64.03 -32.05 73.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.458 HG13 ' CD2' ' A' ' 351' ' ' LEU . 3.0 t -76.94 -5.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 73.13 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -99.29 -58.01 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.13 110.287 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -43.04 -44.94 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 74.42 109.3 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 350' ' ' GLN . 8.4 m-85 -61.51 -56.8 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 72.44 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.51 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 5.2 mt-10 -53.91 -21.61 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.21 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.49 -20.73 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 72.24 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.18 -38.87 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 71.03 108.028 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -39.73 -44.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 75.32 109.33 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 417' ' ' SER . . . -78.84 -40.9 31.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 73.51 109.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.8 mm-40 -62.16 -16.07 50.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 74.2 110.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.14 -68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.54 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 419' ' ' VAL . 8.8 mt-10 -42.36 -50.12 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 61.44 110.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 413' ' ' ALA . 38.8 t -42.52 -53.99 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.03 110.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -53.29 -35.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 74.51 110.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.549 ' CG2' ' NH2' ' A' ' 344' ' ' ARG . 35.0 t -70.64 -57.79 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 75.1 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 419' ' ' VAL . 60.1 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 73.34 109.342 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.322 -0.251 . . . . 74.24 110.322 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 345' ' ' LYS . 29.2 mm100 -97.65 -44.98 6.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 72.22 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -42.91 -39.34 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 62.43 110.265 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.464 ' CD ' ' HG2' ' A' ' 416' ' ' GLU . 0.4 OUTLIER -76.45 -36.25 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 73.12 110.332 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.0 tppt? -54.16 -30.37 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 75.25 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -77.23 -37.39 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 72.3 110.248 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' A' ' 411' ' ' TRP . 46.5 mt -54.47 -55.04 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 74.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.451 ' CG ' HD11 ' A' ' 412' ' ' LEU . 31.8 mt-30 -45.14 -38.83 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 60.24 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -70.88 -54.46 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 75.21 110.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.41 -13.77 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 72.35 110.352 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' A' ' 405' ' ' VAL . 2.2 tt -72.0 -58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.24 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.37 -27.69 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 70.3 110.285 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.27 -62.07 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.32 110.331 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.443 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 3.6 tpt180 -48.63 -37.2 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.13 110.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.7 t -70.48 -46.98 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -45.86 -34.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.41 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 361' ' ' GLU . 3.6 mm-40 -90.07 -34.28 15.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 74.52 110.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.48 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.6 OUTLIER -53.51 -51.75 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.02 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 40.8 tp60 -63.07 -29.87 71.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 73.4 110.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -65.97 -53.8 34.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.52 109.327 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -64.54 -39.28 93.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 74.14 110.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 398' ' ' ILE . 1.6 t -76.27 -19.63 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.13 109.315 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.7 OUTLIER -76.38 -26.4 55.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.01 109.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 367' ' ' ALA . 4.4 pt20 -104.91 -24.65 12.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 65.22 110.273 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -45.47 -36.84 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.53 110.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.3 pt-20 -91.84 -22.57 20.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 72.21 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 370' ' ' LYS . . . -78.4 -18.6 54.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.12 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 7.1 mt -57.91 -57.08 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 74.24 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -48.48 -34.25 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.35 109.274 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 10.3 mtmm -76.71 -36.83 56.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 62.43 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.499 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 50.0 mmm -61.68 -11.9 13.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.11 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.436 ' CE ' HD12 ' A' ' 391' ' ' ILE . 21.0 mtpt -91.55 -56.42 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 75.32 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 20.5 t0 -50.74 -40.68 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 74.35 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.563 HG22 ' CD1' ' A' ' 375' ' ' TYR . 10.8 m -52.05 -35.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 75.33 109.269 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.563 ' CD1' HG22 ' A' ' 374' ' ' VAL . 21.1 m-30 -89.23 -31.07 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 74.42 111.069 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.21 -28.48 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 74.21 110.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.3 OUTLIER -113.7 -34.35 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 74.23 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.457 ' O ' ' CG ' ' A' ' 381' ' ' MET . 6.5 m -131.69 67.59 79.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 72.33 110.413 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.0 1.33 7.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 64.13 111.015 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -72.9 -3.8 28.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 74.22 110.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.64 -4.55 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 64.53 110.975 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.91 170.19 32.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 44.51 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.42 142.75 31.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 74.01 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.38 11.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 64.44 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.54 -14.33 57.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.23 109.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.8 m -101.02 8.95 42.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.31 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 375' ' ' TYR . 87.8 mt -115.35 -1.28 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 73.14 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.27 -47.86 2.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.21 110.342 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.94 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 74.02 111.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -99.45 -34.41 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 70.5 110.34 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 20.8 mt -60.46 -60.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.31 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.01 -16.54 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 61.34 109.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.87 -34.52 24.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 53.33 110.292 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 16.0 m -77.11 -42.71 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.52 110.356 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . 0.406 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.4 mm? -64.01 -44.15 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 74.04 109.29 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' SER . . . . . 0.405 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 16.2 m -74.16 -19.72 60.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 72.12 110.023 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.484 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 35.5 m-20 -87.25 -16.04 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 73.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 362' ' ' VAL . 20.0 mt -87.62 -44.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 74.34 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.491 ' O ' ' CD2' ' A' ' 403' ' ' LEU . 0.1 OUTLIER -68.37 -23.06 64.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.04 110.298 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.6 ptm180 -88.95 -37.85 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 73.11 110.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 2.7 mt -67.96 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.21 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 358' ' ' LEU . 10.6 ptmt -48.07 -42.47 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.41 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 399' ' ' GLU . 2.9 mm? -58.09 -47.92 81.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 65.11 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.603 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 60.3 mm-40 -60.91 -29.13 69.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 72.22 110.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 351' ' ' LEU . 2.2 t -90.81 -4.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -98.65 -13.25 20.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 73.11 110.306 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -91.69 -41.21 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.11 109.285 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 20.1 m-85 -61.03 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 75.01 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.429 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 4.7 mt-10 -54.1 -19.96 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.53 110.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.55 -21.23 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 71.11 109.274 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.63 -40.34 63.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 72.41 107.996 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -39.84 -43.2 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 72.25 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.97 -39.63 29.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.11 109.347 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.2 mm-40 -63.84 -15.45 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.32 110.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.77 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.01 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.464 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 3.2 mt-10 -38.82 -46.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.22 110.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 27.4 t -43.22 -49.63 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.24 109.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -57.09 -37.01 71.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 71.34 110.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 416' ' ' GLU . 40.3 t -66.46 -59.11 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.44 109.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 34.2 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 73.42 109.264 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.289 -0.263 . . . . 72.13 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -4.37 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 73.34 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -89.18 -35.06 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 75.22 110.305 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.498 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.0 ptm180 -70.01 -6.09 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.21 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -77.2 -44.95 28.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.32 109.271 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -69.52 -34.89 74.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 72.11 110.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.13 -71.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 75.34 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.424 ' CG ' HD11 ' A' ' 412' ' ' LEU . 44.1 mt-30 -41.03 -46.52 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.32 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 351' ' ' LEU . 37.4 mt-30 -57.36 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.5 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -44.96 -25.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 74.11 110.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.448 ' CD2' HG12 ' A' ' 405' ' ' VAL . 1.7 tt -58.26 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 64.05 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.76 -46.41 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 71.35 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -57.86 -39.35 77.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.25 110.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.469 ' CG ' HG22 ' A' ' 405' ' ' VAL . 3.3 tpt180 -67.62 -27.74 67.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 75.3 110.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 35.8 t -94.62 -5.89 44.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 74.01 109.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -85.95 -28.13 24.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 74.52 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.07 -18.04 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.23 110.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.496 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 2.3 tt -64.74 -60.49 3.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 74.52 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 53.8 tp60 -49.45 -26.14 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 72.24 110.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -66.7 -49.15 67.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 73.45 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.423 ' N ' ' OE2' ' A' ' 361' ' ' GLU . 0.6 OUTLIER -68.71 -42.05 78.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 70.41 110.329 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.446 ' CG2' HG12 ' A' ' 398' ' ' ILE . 2.3 t -72.93 -24.15 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 64.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.5 OUTLIER -65.98 -33.94 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.1 109.285 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 367' ' ' ALA . 9.0 pt20 -104.03 -18.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 72.15 110.3 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.409 ' CB ' ' HA ' ' A' ' 362' ' ' VAL . 0.0 OUTLIER -40.66 -44.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 73.51 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.72 -25.37 26.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.13 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -61.17 -40.95 95.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 64.12 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 371' ' ' MET . 5.0 mt -50.58 -54.35 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 63.21 109.325 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -49.54 -24.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 75.21 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 18.6 mtmm -91.24 -31.06 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.31 109.366 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.599 ' O ' ' CE2' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -63.5 -10.39 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 73.22 111.013 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -94.36 -59.03 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.25 109.292 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.5 t70 -47.91 -34.07 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.13 109.331 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 375' ' ' TYR . 18.1 m -60.05 -39.58 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.5 109.287 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.654 ' CE1' ' N ' ' A' ' 382' ' ' GLY . 17.5 m-85 -85.58 -19.89 30.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 70.54 110.981 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.9 -31.15 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 65.31 110.304 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -113.0 -34.4 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.2 109.285 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.425 ' CG2' ' HG2' ' A' ' 380' ' ' GLN . 33.9 m -126.61 86.12 59.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.22 110.396 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.58 8.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 75.21 111.046 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . 0.425 ' HG2' ' CG2' ' A' ' 378' ' ' THR . 1.1 pt20 -79.0 2.41 20.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 71.34 110.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 9.9 mtm -103.17 -47.87 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 74.31 111.022 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.654 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -176.19 -157.68 17.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 75.12 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.503 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 33.2 m-20 -122.0 141.3 33.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.58 9.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 73.11 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -73.79 -4.58 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.34 109.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 27.0 t -97.78 7.18 46.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.5 109.992 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.495 ' O ' ' CG1' ' A' ' 391' ' ' ILE . 1.4 mt -115.9 -0.34 12.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 75.11 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.6 OUTLIER -74.05 -45.93 6.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 75.53 110.318 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.56 21.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 72.13 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -99.49 -33.28 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 75.23 110.304 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 11.2 mt -64.78 -59.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 64.52 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.09 -17.02 22.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 71.22 109.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.66 -35.25 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 64.11 110.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.4 m -70.28 -42.92 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.31 110.391 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.41 -54.61 41.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 73.01 109.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' SER . . . . . 0.417 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 1.1 m -64.44 -19.44 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.11 109.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.481 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 68.7 m-20 -91.84 -12.21 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 62.51 109.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.446 HG12 ' CG2' ' A' ' 362' ' ' VAL . 15.7 mt -93.7 -34.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 72.12 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.417 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.3 OUTLIER -79.73 -23.15 42.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 75.14 110.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.5 ptm180 -91.45 -7.14 51.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 75.45 110.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 9.2 mt -96.65 -61.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 63.34 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.446 ' HG3' ' CD2' ' A' ' 403' ' ' LEU . 7.8 ptmm? -53.64 -52.85 58.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 75.32 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.32 -51.41 11.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 70.21 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 72.5 mm-40 -61.83 -32.51 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.21 110.33 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.469 HG22 ' CG ' ' A' ' 354' ' ' ARG . 11.2 t -77.69 -5.1 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 70.41 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.26 -58.0 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 73.31 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.84 -44.95 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 74.44 109.287 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 12.5 m-85 -60.7 -60.51 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.3 110.983 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.405 ' N ' HD11 ' A' ' 351' ' ' LEU . 6.8 mt-10 -54.1 -19.22 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 71.02 110.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.5 -20.96 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 73.41 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -74.72 -40.9 61.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 75.13 108.037 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.424 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.0 mm? -39.43 -42.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.3 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.76 -40.97 24.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.21 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.446 ' O ' ' NE ' ' A' ' 418' ' ' ARG . 0.8 OUTLIER -62.22 -15.85 49.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.54 110.339 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.88 -65.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 72.24 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.498 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.5 mt-10 -40.28 -49.72 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 75.12 110.349 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.9 t -39.21 -51.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.51 110.015 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 2.9 mpt_? -71.49 -47.75 53.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.42 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 57.8 t -40.68 -66.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 71.01 109.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 75.52 109.295 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.322 -0.251 . . . . 73.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -98.05 -23.3 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.02 110.298 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -57.9 -33.97 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 75.5 110.312 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.495 ' NH2' ' NE2' ' A' ' 348' ' ' GLN . 6.7 ptm180 -86.74 -6.11 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 75.12 110.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.551 ' HZ3' ' NE2' ' A' ' 349' ' ' GLN . 4.0 tptt -82.71 -23.12 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.14 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -86.8 -35.93 18.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 73.01 110.297 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 408' ' ' TYR . 35.6 mt -55.08 -58.93 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 65.11 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.495 ' NE2' ' NH2' ' A' ' 344' ' ' ARG . 77.6 mt-30 -38.93 -61.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 75.32 110.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.551 ' NE2' ' HZ3' ' A' ' 345' ' ' LYS . 2.4 mp0 -53.72 -61.51 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 64.11 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 350' ' ' GLN . 12.8 mm-40 -51.95 -20.76 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.516 ' CD1' ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -70.49 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 72.15 109.328 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -52.95 -20.25 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 74.21 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 356' ' ' ARG . 5.1 mm-40 -78.26 -69.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 74.21 110.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.455 ' CB ' HG22 ' A' ' 405' ' ' VAL . 8.6 mmt-85 -44.79 -26.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.42 110.25 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.465 ' CA ' HG21 ' A' ' 405' ' ' VAL . 1.8 p -85.13 -39.93 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 63.44 109.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 353' ' ' GLU . 13.3 mtp180 -61.26 -41.03 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.11 110.284 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' A' ' 401' ' ' LEU . 2.9 pt-20 -82.33 1.92 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 71.42 110.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.8 OUTLIER -86.97 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.03 109.277 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 56.2 tp60 -51.13 -21.55 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 71.15 110.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -65.21 -55.98 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.13 109.308 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -68.28 -33.32 74.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 71.32 110.319 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.444 HG21 ' CD2' ' A' ' 358' ' ' LEU . 2.6 t -78.67 -18.07 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.22 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -79.71 -28.69 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 75.03 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.3 pt20 -103.23 -22.58 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.44 110.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.5 OUTLIER -39.01 -62.92 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 71.44 110.275 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.68 -21.53 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 75.15 110.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.469 ' HB3' ' CE ' ' A' ' 370' ' ' LYS . . . -67.62 -35.11 78.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.34 109.348 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 17.0 mt -50.67 -44.05 57.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.05 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -54.27 -38.9 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 71.3 109.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' A' ' 367' ' ' ALA . 0.1 OUTLIER -70.05 -36.31 74.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 74.12 109.259 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 371' ' ' MET . . . . . . . . . . . . . 56.6 mmm -63.33 -10.79 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 65.51 110.989 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.545 ' NZ ' ' CD1' ' A' ' 391' ' ' ILE . 14.6 mtpt -89.9 -55.33 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 75.03 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.34 -41.38 60.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 71.25 109.306 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 375' ' ' TYR . 6.1 m -51.42 -34.3 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.2 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.566 ' CE1' HG23 ' A' ' 374' ' ' VAL . 18.6 m-30 -91.28 -24.94 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 74.43 111.016 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.48 -27.72 68.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 72.42 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.9 -36.4 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 75.03 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 380' ' ' GLN . 3.5 m -125.98 85.78 58.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 72.32 110.448 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.471 1.774 . . . . 70.44 110.987 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . 0.461 ' CG ' HG23 ' A' ' 378' ' ' THR . 2.6 pt20 -81.41 1.2 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 61.23 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.442 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 7.0 mtt -94.9 -48.99 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 73.32 111.013 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.87 -151.27 7.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.16 . . . . 72.01 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.99 134.0 25.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 73.54 109.335 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.55 9.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.789 . . . . 74.2 110.985 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.35 -18.92 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.35 109.295 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 8.1 t -92.22 7.25 43.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 60.55 110.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 94.5 mt -108.71 -12.73 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 75.34 109.262 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -69.87 -46.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 72.34 110.271 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.792 . . . . 74.52 110.988 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -99.57 -36.56 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 74.12 110.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.545 ' CD1' ' NZ ' ' A' ' 372' ' ' LYS . 20.9 mt -65.53 -58.71 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 74.04 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.56 -15.84 31.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 51.22 109.35 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -83.18 -33.86 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.4 110.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 398' ' ' ILE . 3.1 m -66.28 -47.56 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 72.52 110.422 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.51 -55.46 34.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.23 109.306 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -28.04 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 71.14 110.037 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.471 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 92.9 m-20 -86.12 -13.95 45.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 75.24 109.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 394' ' ' THR . 18.2 mt -88.16 -37.99 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 75.44 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 403' ' ' LEU . 0.5 OUTLIER -76.45 -20.51 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 72.02 110.304 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.471 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.7 ptm180 -90.37 -8.05 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 74.12 110.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 357' ' ' GLU . 7.7 mt -96.8 -63.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 71.12 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -51.7 -42.95 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.1 109.288 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.402 ' CG ' ' O ' ' A' ' 399' ' ' GLU . 0.6 OUTLIER -51.91 -49.66 62.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 71.34 109.304 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.6 mm-40 -66.35 -30.66 71.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 63.11 110.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.465 HG21 ' CA ' ' A' ' 355' ' ' SER . 3.4 t -77.03 -5.17 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.44 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -99.17 -58.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 71.25 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -42.67 -45.42 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 74.24 109.29 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.523 ' CD1' HD23 ' A' ' 347' ' ' LEU . 8.4 m-85 -61.54 -57.18 13.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 74.43 111.002 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.516 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 7.1 mt-10 -54.72 -20.97 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.45 110.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.45 -20.24 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 74.35 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.64 -39.89 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.966 -1.124 . . . . 74.35 107.966 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 412' ' ' LEU . 3.8 mm? -40.06 -42.76 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 75.31 109.309 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -39.41 28.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 72.4 109.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -63.99 -15.68 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.13 110.29 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.87 -61.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 64.24 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.47 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 27.6 mt-10 -38.68 -41.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 72.33 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -51.63 26.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 74.43 109.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -54.76 -33.07 60.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 74.41 110.25 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 54.9 t -73.38 -67.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 64.42 109.296 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 73.51 109.283 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 71.04 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -28.27 13.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.14 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.48 -61.63 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.13 110.244 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.49 ' NH1' ' CG2' ' A' ' 419' ' ' VAL . 2.2 ptp85 -62.96 -16.2 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 75.42 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -30.56 64.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 75.34 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 347' ' ' LEU . 6.0 mtt85 -73.81 -48.24 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.04 110.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 408' ' ' TYR . 18.5 mt -40.2 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.21 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.416 ' NE2' HD12 ' A' ' 412' ' ' LEU . 26.5 mt-30 -38.48 -58.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.52 110.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -50.93 -67.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 72.43 110.296 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -51.23 -21.24 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 73.2 110.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 405' ' ' VAL . 0.6 OUTLIER -72.91 -42.87 63.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 75.31 109.254 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -67.26 -15.85 63.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.44 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 356' ' ' ARG . 13.2 mt-10 -84.98 -60.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.24 110.346 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.471 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 36.8 mmt-85 -40.16 -42.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.53 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.0 t -68.95 -43.16 75.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 74.11 110.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 353' ' ' GLU . 5.5 mmm180 -54.13 -37.87 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 72.2 110.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 2.0 mm-40 -85.19 -34.78 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 72.42 110.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 361' ' ' GLU . 0.4 OUTLIER -62.3 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 74.42 109.301 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 4.2 tp60 -38.79 -32.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.13 110.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . 0.459 ' NZ ' ' CB ' ' A' ' 360' ' ' LYS . 6.1 mtpm? -70.63 -52.96 17.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 73.42 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 358' ' ' LEU . 7.5 mm-40 -58.05 -46.71 84.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.21 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' A' ' 358' ' ' LEU . 2.2 t -70.48 -34.81 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 74.12 109.283 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.9 OUTLIER -58.42 -37.94 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 61.44 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 367' ' ' ALA . 5.4 pt20 -93.71 -23.85 18.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 74.21 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.61 -47.48 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 72.21 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -86.31 -22.94 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.33 110.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -72.75 -19.87 61.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 73.43 109.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 9.6 mt -58.92 -58.35 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.45 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . 0.447 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 4.6 mtmp? -48.33 -36.4 14.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 72.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.465 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 11.2 mtpp -68.06 -38.61 82.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 74.23 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.457 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 60.8 mmm -65.45 -9.11 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.22 111.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 3.9 mtpm? -91.93 -57.79 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.51 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.32 -40.42 35.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.33 109.351 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 375' ' ' TYR . 10.7 m -53.42 -36.57 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 74.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.566 ' CE1' ' HA3' ' A' ' 382' ' ' GLY . 19.1 m-30 -87.11 -30.54 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 74.23 111.031 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.9 -28.17 63.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 75.42 110.315 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 -34.81 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 74.2 109.335 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.6 m -132.47 69.29 79.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 73.32 110.419 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.2 Cg_endo -75.04 1.07 8.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 74.23 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -72.4 -3.96 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 64.2 110.308 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.25 -4.21 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 75.11 110.981 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 179.57 41.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 53.53 111.005 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.25 143.05 47.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 73.21 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 73.55 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.68 -13.03 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 65.41 109.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 96.2 p -101.04 8.96 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 63.31 110.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 391' ' ' ILE . 15.6 mt -116.86 -1.7 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 75.11 109.242 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 5.7 mm-40 -78.66 -43.69 1.93 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 65.02 110.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.0 -20.39 16.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 74.52 111.007 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -89.45 -34.4 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.03 110.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 12.3 mt -60.17 -57.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 74.14 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.88 47.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 74.54 109.289 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 7.3 tt0 -86.88 -32.7 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.33 110.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 2.3 m -70.61 -33.69 71.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 75.44 110.378 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.67 -60.94 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.43 109.335 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' SER . . . . . 0.457 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 0.2 OUTLIER -59.29 -25.93 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.51 110.022 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.468 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 81.6 m-20 -83.89 -17.66 40.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.42 109.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 394' ' ' THR . 9.3 mt -86.81 -46.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.14 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.5 OUTLIER -67.1 -35.62 80.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 74.25 110.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.3 ptm180 -72.19 -9.71 58.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.44 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . . . . . . . . . 2.8 mt -96.8 -65.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 75.41 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 405' ' ' VAL . 13.0 ptpt -45.77 -54.38 8.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 71.11 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.414 ' HA ' ' NE2' ' A' ' 406' ' ' GLN . 1.0 OUTLIER -43.0 -51.06 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.11 109.275 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 54.1 mm-40 -64.37 -33.33 75.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 75.33 110.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.481 ' HA ' ' CD2' ' A' ' 351' ' ' LEU . 38.1 t -74.48 -5.9 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 71.02 109.313 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 403' ' ' LEU . 0.8 OUTLIER -99.17 -57.92 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 75.42 110.319 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.6 OUTLIER -45.53 -44.41 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 72.23 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.561 ' CD1' HD21 ' A' ' 347' ' ' LEU . 5.6 m-85 -63.21 -59.05 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.13 111.018 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -53.48 -19.83 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 72.32 110.271 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.46 -24.9 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.42 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -69.3 -40.27 77.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.973 -1.121 . . . . 74.51 107.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 348' ' ' GLN . 2.9 mm? -40.43 -42.79 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 75.12 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.53 -38.43 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 65.12 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 63.21 110.265 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.7 -58.2 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 65.1 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.422 ' HA ' ' NH2' ' A' ' 344' ' ' ARG . 15.7 mt-10 -43.29 -27.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 60.44 110.284 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 415' ' ' ALA . 6.4 t -52.72 -46.86 67.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.45 109.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -56.0 -44.94 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 75.34 110.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.49 ' CG2' ' NH1' ' A' ' 344' ' ' ARG . 14.9 t -58.6 -68.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.21 109.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 64.4 109.305 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.297 -0.26 . . . . 74.11 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.86 -5.32 34.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 62.35 110.301 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -89.84 -37.26 14.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 70.53 110.311 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.78 -19.2 57.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 73.33 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.65 81.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 74.11 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 347' ' ' LEU . 20.8 mtp85 -59.15 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 74.41 110.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 351' ' ' LEU . 8.1 mt -40.3 -62.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 73.15 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.52 -43.24 71.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 70.05 110.351 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 351' ' ' LEU . 11.0 mt-30 -61.7 -76.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.45 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 346' ' ' ARG . 38.8 mm-40 -45.3 -25.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 74.32 110.3 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 405' ' ' VAL . 17.7 tp -66.84 -48.9 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 75.54 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 7.0 tt0 -66.2 -16.23 63.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 70.35 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -92.27 -35.47 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.23 110.318 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.46 ' CG ' HG22 ' A' ' 405' ' ' VAL . 4.9 tpt180 -73.83 -45.55 50.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.34 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.4 p -70.57 -6.48 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 72.53 109.971 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 2.0 mmm180 -88.02 -56.17 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.03 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -5.86 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 73.21 110.263 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 358' ' ' LEU . 0.3 OUTLIER -90.39 -40.12 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 75.51 109.295 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.443 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 39.7 tp60 -63.96 -13.89 49.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 74.44 110.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -93.15 -10.68 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.21 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 365' ' ' ARG . 75.3 mm-40 -103.45 -40.84 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.44 110.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.426 HG23 ' CD2' ' A' ' 358' ' ' LEU . 2.5 t -76.77 -34.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 63.43 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 5.5 t70 -61.08 -30.59 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 63.32 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 367' ' ' ALA . 5.7 pt20 -104.69 -21.79 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 75.35 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.455 ' HB2' ' CD1' ' A' ' 398' ' ' ILE . 0.6 OUTLIER -37.6 -49.55 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 75.43 110.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -33.46 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 72.1 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -53.05 -45.69 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 74.41 109.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 371' ' ' MET . 3.6 mt -48.59 -65.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 74.53 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -51.38 -22.31 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 74.44 109.332 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -33.44 29.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 73.53 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.457 ' HE3' ' CZ ' ' A' ' 375' ' ' TYR . 68.3 mmm -70.19 -7.02 38.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 71.25 111.031 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 376' ' ' GLU . 16.0 mttt -86.82 -59.09 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.42 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -48.85 -47.35 42.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.31 109.313 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.564 HG22 ' CD1' ' A' ' 375' ' ' TYR . 19.3 m -55.34 -38.46 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 73.44 109.249 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.564 ' CD1' HG22 ' A' ' 374' ' ' VAL . 12.6 m-30 -84.63 -15.59 44.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 75.23 111.012 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.3 mm-40 -76.47 -33.83 58.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.41 110.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -38.13 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.13 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.439 ' HB ' ' CE ' ' A' ' 381' ' ' MET . 7.4 m -119.76 82.49 27.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 74.31 110.384 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 73.32 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . 0.4 ' NE2' HG22 ' A' ' 378' ' ' THR . 1.2 pt20 -78.25 -0.33 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 75.44 110.247 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.439 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 9.7 mtt -95.83 -49.22 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 53.41 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -172.39 -163.1 25.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 74.32 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.88 132.6 22.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.77 . . . . 74.13 109.308 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.54 11.82 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 73.25 110.975 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.11 -14.12 59.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.04 109.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 t -96.49 6.09 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 75.12 110.019 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 21.1 mt -108.14 -6.71 16.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 74.15 109.256 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.8 mt-10 -75.73 -47.14 4.04 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 72.22 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.99 -7.53 19.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 73.41 111.062 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -99.03 -34.77 10.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.24 110.282 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 27.9 mt -66.44 -58.41 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 75.4 109.288 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.74 -16.57 28.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 74.34 109.313 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.406 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 14.4 tt0 -83.89 -34.72 24.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.41 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 7.2 m -85.64 -24.7 26.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 72.43 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.04 -55.84 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.03 109.263 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 1.7 t -64.66 -16.96 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 73.42 109.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.47 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 55.7 m-20 -90.51 -17.61 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.24 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 394' ' ' THR . 9.3 mt -84.6 -44.2 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 71.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.97 -22.07 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 73.11 110.338 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptm180 -95.36 -8.78 34.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 74.14 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . . . . . . . . . 2.4 mt -96.78 -75.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.35 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -40.37 -49.51 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 62.04 109.312 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -46.97 -53.71 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 74.11 109.334 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.503 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.0 mm-40 -64.5 -30.85 71.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 75.25 110.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 351' ' ' LEU . 12.1 t -77.51 -5.57 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 74.35 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -99.01 -58.04 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 74.13 110.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 6.4 ptpt -42.23 -43.66 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 75.43 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.5 m-85 -61.85 -58.82 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 73.43 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -52.68 -21.02 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.31 110.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.41 -22.15 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 75.32 109.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.5 m0 -72.55 -38.85 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.04 108.012 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -40.12 -44.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.43 109.271 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.81 35.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.21 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.87 -15.14 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 72.12 110.304 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -63.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.4 109.329 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 419' ' ' VAL . 78.6 mt-10 -41.79 -37.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 72.25 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 t -40.01 -46.72 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 73.13 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -58.67 -46.79 86.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 75.13 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 416' ' ' GLU . 23.3 t -55.17 -67.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 75.11 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 72.44 109.258 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.276 -0.268 . . . . 74.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.432 ' NE2' ' NH1' ' A' ' 346' ' ' ARG . 0.0 OUTLIER -93.98 -5.78 46.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.11 110.325 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -88.31 -34.4 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 72.05 110.284 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.506 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.9 ptm180 -65.14 -36.11 83.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.4 110.319 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 344' ' ' ARG . 4.5 ptpt -55.99 -32.66 64.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 75.04 109.299 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.432 ' NH1' ' NE2' ' A' ' 342' ' ' GLN . 3.0 mtp85 -68.96 -43.28 75.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 73.2 110.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 411' ' ' TRP . 29.2 mt -58.61 -75.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.32 109.333 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.04 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 74.24 110.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -66.58 -65.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 73.14 110.29 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -64.79 -11.51 37.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 72.3 110.309 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.1 tt -61.81 -61.68 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 72.24 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.3 tt0 -51.16 -21.71 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 72.31 110.261 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 38.1 mm-40 -74.86 -70.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.13 110.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.444 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 3.5 mmt-85 -39.85 -40.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 74.23 110.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 10.8 t -73.78 -43.36 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 71.34 109.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 14.0 mmt180 -54.89 -46.72 74.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.2 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.502 ' CD ' ' CD2' ' A' ' 401' ' ' LEU . 2.9 pt-20 -79.75 3.5 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.13 110.32 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 3.3 tt -85.89 -61.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 75.5 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -61.42 -13.85 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 74.31 110.273 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -84.98 -21.6 29.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 75.43 109.332 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -92.16 -40.57 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.51 110.266 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 398' ' ' ILE . 2.4 t -73.1 -26.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 74.34 109.333 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.82 -28.27 64.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 73.03 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 367' ' ' ALA . 4.5 pt20 -99.95 -24.04 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 65.32 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.501 ' HG3' ' CD1' ' A' ' 398' ' ' ILE . 1.5 mtp-105 -36.57 -66.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 75.32 110.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -66.3 -25.54 66.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 71.3 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -62.09 -38.64 89.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 75.3 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 8.1 mt -55.89 -44.87 78.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.11 109.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -62.85 -23.58 67.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.43 109.264 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -80.14 -35.34 36.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 73.35 109.291 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 371' ' ' MET . . . . . . . . . . . . . 66.1 mmm -66.48 -8.72 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 74.23 110.997 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -88.59 -55.74 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 71.44 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -50.5 -43.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 72.31 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 375' ' ' TYR . 4.9 m -50.95 -33.72 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.34 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.563 ' CE2' HD13 ' A' ' 387' ' ' LEU . 19.6 m-30 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 75.21 110.988 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.3 -25.77 67.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 74.4 110.306 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 -36.69 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 74.42 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.424 ' CG2' ' HG2' ' A' ' 380' ' ' GLN . 11.4 m -129.46 88.27 50.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.41 110.388 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.13 9.28 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 75.43 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . 0.424 ' HG2' ' CG2' ' A' ' 378' ' ' THR . 1.7 pt20 -80.66 1.99 27.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 74.41 110.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 6.6 mtm -95.76 -48.13 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.02 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.536 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -174.35 -164.53 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 73.4 110.961 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.77 135.02 21.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 73.32 109.338 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -23.98 13.23 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.421 1.748 . . . . 73.14 111.016 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.84 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 62.11 109.28 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 1.8 t -97.11 3.47 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 74.22 109.954 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 375' ' ' TYR . 9.0 mt -108.52 -4.88 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 74.11 109.3 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -77.7 -47.67 2.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.51 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 72.4 110.971 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -99.56 -35.1 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 72.1 110.304 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 24.7 mt -64.8 -69.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 71.32 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.08 -23.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 75.53 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -73.01 -40.14 65.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 74.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.3 m -75.02 -25.21 58.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.55 110.4 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.86 -27.64 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.14 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 15.6 t -87.97 -10.33 50.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 74.2 110.018 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -102.12 -45.46 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.13 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.501 ' CD1' ' HG3' ' A' ' 365' ' ' ARG . 12.4 mt -55.05 -37.96 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.42 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 403' ' ' LEU . 0.2 OUTLIER -64.44 -22.47 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 71.31 110.306 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -95.99 -26.83 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.2 110.266 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.502 ' CD2' ' CD ' ' A' ' 357' ' ' GLU . 19.0 mt -67.56 -52.35 39.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 72.15 109.299 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -68.61 -41.98 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.52 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.451 ' CG ' ' O ' ' A' ' 399' ' ' GLU . 0.7 OUTLIER -56.93 -53.98 51.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.32 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.601 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 50.9 mm-40 -62.21 -23.61 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 75.15 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 354' ' ' ARG . 3.3 t -89.33 -5.31 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.41 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -99.2 -13.87 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 63.52 110.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -97.73 -42.0 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 73.43 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.2 m-85 -61.73 -60.04 4.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 72.53 111.05 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.46 ' CG ' HD11 ' A' ' 351' ' ' LEU . 9.7 mt-10 -54.11 -19.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.43 110.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -21.28 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 75.41 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -74.33 -41.29 61.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 74.41 107.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.2 mm? -38.96 -43.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.24 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.99 -41.15 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 65.13 109.236 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.4 mm-40 -62.3 -15.75 49.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 71.4 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.97 -63.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 74.14 109.309 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.506 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.4 mt-10 -38.9 -52.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 74.15 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 39.3 t -48.9 -48.97 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 72.41 110.01 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -60.17 -32.61 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 75.23 110.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.44 -66.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 71.54 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 65.53 109.318 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.286 -0.265 . . . . 74.21 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.493 ' NE2' ' NZ ' ' A' ' 345' ' ' LYS . 0.0 OUTLIER -97.9 -31.95 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.31 110.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -58.17 -69.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 70.53 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.73 HH12 ' N ' ' A' ' 416' ' ' GLU . 5.5 ptp180 -43.58 -38.45 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 63.21 110.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.493 ' NZ ' ' NE2' ' A' ' 342' ' ' GLN . 1.6 ttpt -52.51 -49.65 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 74.24 109.308 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 347' ' ' LEU . 21.1 mtp85 -71.12 -43.89 66.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.11 110.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 351' ' ' LEU . 53.6 mt -39.19 -51.45 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.31 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.42 ' CG ' HD12 ' A' ' 412' ' ' LEU . 63.4 mt-30 -68.02 -43.62 78.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 73.43 110.337 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.83 -72.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 53.03 110.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 353' ' ' GLU . 38.2 mm-40 -45.51 -41.73 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 72.03 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.53 ' CD1' ' CG1' ' A' ' 405' ' ' VAL . 4.7 tp -45.08 -53.78 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 75.45 109.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 9.0 tt0 -59.3 -29.06 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 73.14 110.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 350' ' ' GLN . 45.6 mm-40 -71.31 -46.2 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 72.33 110.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.472 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 3.7 tpt180 -65.74 -40.65 92.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.34 110.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 3.1 t -78.18 0.61 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 73.33 109.971 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 1.2 mmm180 -97.49 -28.19 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 72.33 110.28 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.464 ' CD ' ' CD2' ' A' ' 401' ' ' LEU . 0.6 OUTLIER -100.8 3.82 42.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 73.12 110.288 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.453 HD12 ' CA ' ' A' ' 402' ' ' LYS . 3.9 tt -80.63 -73.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 72.3 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -43.51 -27.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 73.44 110.256 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -46.4 85.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.33 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 358' ' ' LEU . 24.3 mm-40 -66.1 -43.35 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 63.04 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.464 HG22 ' CZ ' ' A' ' 365' ' ' ARG . 2.4 t -71.72 -20.21 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 71.24 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -25.56 55.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 70.31 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 367' ' ' ALA . 5.2 pt20 -103.2 -23.45 13.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 74.23 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.518 ' HG3' ' CD1' ' A' ' 398' ' ' ILE . 2.9 mtm180 -37.86 -64.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 74.42 110.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.84 -21.99 64.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 74.2 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -65.92 -37.35 85.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 75.54 109.289 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 9.4 mt -55.4 -45.54 76.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 74.41 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -41.39 77.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 75.02 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -66.69 -37.48 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 72.23 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.461 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 63.4 mmm -63.01 -11.21 17.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 75.23 111.018 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -87.31 -55.48 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 73.54 109.296 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.37 -43.74 54.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 74.42 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 375' ' ' TYR . 4.0 m -52.06 -33.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 75.1 109.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.563 ' CE1' ' HA3' ' A' ' 382' ' ' GLY . 19.9 m-30 -90.92 -27.69 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 72.52 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.45 -24.16 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.11 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -38.05 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 70.45 109.342 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.449 ' O ' ' CG ' ' A' ' 381' ' ' MET . 90.6 m -130.88 70.41 82.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 72.23 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.12 8.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 75.31 111.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.91 -4.58 29.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 74.11 110.324 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.32 -5.26 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 73.4 110.966 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.563 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.45 175.51 38.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 73.4 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.432 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 34.4 m-20 -127.15 145.6 54.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 52.53 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -25.77 11.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.412 1.743 . . . . 64.14 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.77 -12.9 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 62.34 109.271 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 95.2 p -100.31 8.9 43.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 71.44 110.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 375' ' ' TYR . 18.6 mt -113.98 -2.31 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.22 109.306 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.2 mt-10 -77.73 -47.62 2.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 75.34 110.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.04 -6.27 17.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 73.23 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -99.58 -32.79 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 74.04 110.305 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 42.1 mt -69.13 -64.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.84 -21.32 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 74.21 109.348 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 27.0 tt0 -75.51 -39.02 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 72.52 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.3 m -76.7 -24.42 53.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 72.2 110.372 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . 0.512 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 4.2 mm? -87.52 -26.44 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 75.03 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 32.8 t -92.63 -18.94 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 72.43 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 393' ' ' GLU . 88.0 m-20 -89.63 -53.32 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 72.21 109.254 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.518 ' CD1' ' HG3' ' A' ' 365' ' ' ARG . 30.9 mt -43.69 -28.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 75.13 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.4 OUTLIER -66.64 -51.88 51.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 62.33 110.284 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 22.5 mtt-85 -61.82 -35.5 78.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 75.24 110.269 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.464 ' CD2' ' CD ' ' A' ' 357' ' ' GLU . 7.9 mt -60.64 -71.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 73.14 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.453 ' CA ' HD12 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -46.02 -59.46 2.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 71.11 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 1.2 mm? -43.44 -52.74 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 74.21 109.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.609 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 39.6 mm-40 -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.43 110.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.53 ' CG1' ' CD1' ' A' ' 351' ' ' LEU . 9.5 t -77.6 -5.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 72.34 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -99.26 -58.03 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 63.52 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.623 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.1 OUTLIER -41.65 -48.21 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.42 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 18.9 m-85 -59.6 -60.13 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 74.22 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.419 ' CG ' ' CD2' ' A' ' 351' ' ' LEU . 6.3 mt-10 -54.44 -19.08 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.44 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.61 -21.23 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 73.05 109.325 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.3 m0 -75.39 -38.91 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 71.42 107.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 412' ' ' LEU . 3.8 mm? -40.15 -40.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.11 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -83.5 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.32 109.334 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.9 mm-40 -57.02 -17.24 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 73.34 110.276 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.81 -56.02 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 71.01 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.73 ' N ' HH12 ' A' ' 344' ' ' ARG . 63.7 mt-10 -39.67 -44.91 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.11 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 m -58.35 -46.68 85.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 73.21 110.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 415' ' ' ALA . 32.5 mmm-85 -54.94 -39.77 69.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 74.13 110.279 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.501 ' CG2' ' NH2' ' A' ' 344' ' ' ARG . 19.5 t -69.05 -68.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.54 109.316 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.4 109.295 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 72.42 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.99 -33.57 11.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 71.52 110.307 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 346' ' ' ARG . 54.7 tt0 -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 74.01 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.482 ' NH2' HE22 ' A' ' 348' ' ' GLN . 7.3 ptm180 -77.99 -6.34 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 74.55 110.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -82.99 -52.37 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 62.44 109.288 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 343' ' ' GLN . 0.9 OUTLIER -49.78 -35.97 24.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 74.35 110.298 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 408' ' ' TYR . 19.4 mt -59.88 -68.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.52 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.482 HE22 ' NH2' ' A' ' 344' ' ' ARG . 52.2 mt-30 -38.78 -36.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -69.72 -58.61 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 73.42 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -65.13 -11.21 37.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.41 110.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . . . . . . . . . 1.8 tt -73.4 -61.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 71.23 109.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.96 -16.43 30.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.52 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.3 mt-10 -80.62 -56.44 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.32 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.422 ' NE ' ' HB2' ' A' ' 404' ' ' GLU . 3.5 mmt-85 -44.67 -35.17 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 74.24 110.353 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 1.8 t -77.74 -36.3 50.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 71.52 110.054 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' GLU . 31.7 mtt180 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 75.22 110.305 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.6 -39.77 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 72.3 110.309 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.459 ' CD2' HG23 ' A' ' 362' ' ' VAL . 0.5 OUTLIER -59.33 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 64.01 109.282 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 38.7 tp60 -39.35 -29.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 72.52 110.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 358' ' ' LEU . 11.1 mmmt -72.28 -53.16 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 74.11 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 358' ' ' LEU . 73.3 mm-40 -58.91 -43.16 91.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 74.11 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 358' ' ' LEU . 2.6 t -75.3 -22.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 70.15 109.278 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -73.22 -40.58 64.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 75.42 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.9 pt20 -87.09 -28.54 22.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 65.23 110.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 364' ' ' GLN . 1.6 tmt_? -37.45 -64.69 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 74.54 110.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.79 -30.56 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.32 110.279 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.482 ' HB3' ' CE ' ' A' ' 370' ' ' LYS . . . -63.76 -34.3 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 75.45 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 21.3 mt -50.57 -41.8 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 74.43 109.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -53.27 -33.8 54.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 71.45 109.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.482 ' CE ' ' HB3' ' A' ' 367' ' ' ALA . 1.8 ptpt -70.47 -44.81 66.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 72.03 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 371' ' ' MET . 0.0 OUTLIER -48.4 -22.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 74.45 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.419 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 7.4 mtpt -84.68 -53.67 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.3 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -52.32 -42.19 63.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 53.23 109.274 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.542 HG22 ' CE1' ' A' ' 375' ' ' TYR . 3.1 m -52.34 -30.85 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 72.33 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.557 ' CE2' HD11 ' A' ' 387' ' ' LEU . 18.9 m-30 -94.63 -24.35 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.43 111.017 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.74 -27.26 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 63.53 110.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -38.35 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 71.33 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.453 ' HB ' ' CE ' ' A' ' 381' ' ' MET . 32.2 m -126.11 87.81 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 73.51 110.413 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 62.13 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.19 -16.71 48.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 73.22 110.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.453 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 4.9 mtt -70.14 -56.08 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 75.43 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -161.87 -141.35 3.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 71.43 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.23 136.95 19.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 74.41 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.29 19.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 72.31 111.002 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -76.31 -10.61 59.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 71.14 109.278 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.4 t -101.24 7.15 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 73.14 109.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 375' ' ' TYR . 11.0 mt -110.52 -2.98 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 65.23 109.36 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.573 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -75.52 -47.1 4.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.44 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.01 -7.48 19.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 74.04 110.99 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.57 -37.13 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 75.11 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 36.0 mt -64.84 -68.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 73.13 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.46 -21.66 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 64.23 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 28.8 tt0 -74.69 -39.08 62.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 62.41 110.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 20.2 m -69.59 -38.35 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.41 110.373 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.78 -45.14 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 73.22 109.31 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 74.9 m -69.29 -23.15 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 61.34 109.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.473 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 98.4 m-20 -90.41 -10.67 42.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 75.02 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.492 ' O ' ' CD ' ' A' ' 402' ' ' LYS . 12.0 mt -92.02 -29.25 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 74.41 109.293 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 403' ' ' LEU . 0.2 OUTLIER -85.92 -19.24 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.1 110.292 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.8 ptm180 -95.88 -13.2 24.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 74.41 110.333 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 1.2 mt -90.64 -65.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 73.21 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 6.4 ptmm? -50.78 -45.08 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 74.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.409 ' CG ' ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -47.66 -38.97 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.3 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.0 mm-40 -76.18 -27.16 56.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 75.52 110.261 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 402' ' ' LYS . 0.4 OUTLIER -78.42 -4.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 74.14 109.264 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.27 -58.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 70.42 110.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 5.0 ptpt -40.86 -44.35 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 62.44 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 10.6 m-85 -61.67 -59.92 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 75.21 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -52.99 -20.02 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 75.34 110.284 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.4 -22.61 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.44 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -72.37 -39.9 67.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 70.23 108.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 348' ' ' GLN . 4.1 mm? -39.6 -44.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 72.41 109.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.54 -41.33 27.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 74.32 109.309 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -61.87 -15.52 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 73.52 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.78 -65.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 72.31 109.319 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 419' ' ' VAL . 50.4 mt-10 -39.76 -41.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.4 110.348 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 13.4 t -42.05 -49.65 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 70.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -55.67 -40.24 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 73.03 110.313 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 416' ' ' GLU . 70.0 t -64.86 -53.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 73.04 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 74.53 109.28 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . 0.409 ' HA ' ' NH2' ' A' ' 344' ' ' ARG . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.298 -0.26 . . . . 75.42 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -93.51 -32.95 13.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 73.03 110.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -49.97 -60.52 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.11 110.346 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.539 ' NH2' ' CG2' ' A' ' 419' ' ' VAL . 7.6 ptp180 -48.92 -39.1 24.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.42 110.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 17.3 ttmt -62.38 -47.68 83.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 73.42 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 347' ' ' LEU . 17.6 mmm180 -53.96 -53.7 49.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 75.11 110.232 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 351' ' ' LEU . 5.0 mt -40.05 -65.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 74.25 109.353 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -39.51 -53.09 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 72.12 110.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -49.51 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 73.35 110.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -66.23 -9.72 34.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 74.11 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.467 ' CD2' ' HG2' ' A' ' 409' ' ' GLU . 1.9 tt -69.97 -46.91 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 61.53 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.59 -26.67 55.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 64.31 110.277 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.33 -48.29 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 75.44 110.278 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.455 ' CG ' HG21 ' A' ' 405' ' ' VAL . 3.7 tpt180 -64.33 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 73.44 110.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 4.6 t -72.35 -24.12 61.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 72.45 109.932 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -69.47 -65.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.4 110.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.447 ' OE1' ' CD2' ' A' ' 401' ' ' LEU . 3.1 pt-20 -55.62 -19.72 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 61.42 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.508 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.4 OUTLIER -65.09 -73.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 74.53 109.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.9 tp60 -45.75 -25.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 75.44 110.322 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -65.86 -54.91 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 74.54 109.352 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.64 -34.11 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 75.31 110.25 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.445 ' CG2' HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.71 -21.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 75.44 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 1.1 t70 -74.97 -25.31 58.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.42 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.6 pt20 -104.92 -27.62 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 70.32 110.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.508 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -43.5 -37.03 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 75.31 110.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.6 pt-20 -80.35 -31.89 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 71.12 110.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -66.14 -37.44 85.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 74.4 109.329 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.486 HD12 ' CB ' ' A' ' 394' ' ' THR . 6.1 mt -44.54 -47.82 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 72.25 109.307 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -34.45 78.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 74.5 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 367' ' ' ALA . 25.6 mtmm -72.88 -21.54 60.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.44 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.435 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 67.0 mmm -79.29 -6.44 56.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.35 111.001 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 376' ' ' GLU . 0.1 OUTLIER -91.05 -56.35 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.43 109.277 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -52.2 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 75.42 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.565 HG23 ' CD1' ' A' ' 375' ' ' TYR . 22.2 m -56.49 -38.82 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.11 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 387' ' ' LEU . 14.1 m-30 -84.92 -16.36 41.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.41 110.995 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 372' ' ' LYS . 4.9 mt-10 -75.29 -34.49 61.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 73.11 110.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 -38.18 5.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.2 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.422 HG21 ' CG ' ' A' ' 380' ' ' GLN . 3.2 m -119.46 82.27 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 63.22 110.385 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 72.44 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . 0.422 ' CG ' HG21 ' A' ' 378' ' ' THR . 3.9 pt20 -78.83 2.01 21.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 75.31 110.254 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.456 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 4.7 mtm -100.42 -48.77 4.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 75.21 110.99 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . -171.05 -165.45 28.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 61.51 110.959 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.85 143.18 36.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 62.44 109.284 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -24.35 13.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 71.25 111.012 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.91 -11.79 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.41 109.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 7.21 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.43 110.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 375' ' ' TYR . 7.1 mt -112.3 -1.9 14.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 74.33 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.548 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -78.17 -48.3 2.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.42 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.65 21.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 74.22 110.998 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . 0.42 ' NE2' HD23 ' A' ' 368' ' ' LEU . 0.4 OUTLIER -95.46 -40.05 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 75.41 110.262 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 30.2 mt -61.54 -67.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 70.22 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.84 -21.34 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 74.24 109.252 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.06 -37.75 53.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 63.35 110.281 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.486 ' CB ' HD12 ' A' ' 368' ' ' LEU . 11.7 m -71.19 -46.61 60.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 72.12 110.417 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.15 -54.4 45.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 71.44 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 2.0 t -63.68 -19.69 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.15 109.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.491 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 74.8 m-20 -91.94 -16.36 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 65.41 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.445 HG12 ' CG2' ' A' ' 362' ' ' VAL . 28.7 mt -88.64 -43.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 73.33 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 403' ' ' LEU . 0.3 OUTLIER -70.79 -23.09 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 73.13 110.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.7 ptm180 -86.11 -29.07 23.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 74.14 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 13.2 mt -73.86 -73.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 75.14 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.41 ' HB2' ' NE2' ' A' ' 406' ' ' GLN . 9.0 ptmt -40.52 -40.96 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 75.4 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 399' ' ' GLU . 2.2 mm? -56.93 -51.67 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 72.03 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.603 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 57.3 mm-40 -60.9 -26.83 67.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.22 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.455 HG21 ' CG ' ' A' ' 354' ' ' ARG . 2.2 t -91.44 -4.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 75.03 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 402' ' ' LYS . 47.0 mt-30 -98.7 -12.17 21.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 75.23 110.303 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.7 OUTLIER -93.65 -41.2 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.14 109.279 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.3 m-85 -61.69 -60.03 4.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 73.42 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 351' ' ' LEU . 7.1 mm-40 -54.37 -19.15 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.43 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.56 -21.37 16.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 71.32 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.46 -43.45 60.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 74.13 108.006 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.3 mm? -39.08 -41.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 75.21 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.3 -41.85 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 71.12 109.281 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -62.59 -14.67 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 74.21 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.79 -67.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.44 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -42.74 -34.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 75.24 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 36.0 t -61.23 -63.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.52 110.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.29 -26.67 52.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 72.34 110.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.539 ' CG2' ' NH2' ' A' ' 344' ' ' ARG . 38.3 t -67.57 -75.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.22 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 75.01 109.315 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.303 -0.258 . . . . 71.13 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 345' ' ' LYS . 2.1 mt-30 -89.59 -34.86 16.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 72.15 110.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -42.59 -40.05 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 73.52 110.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.5 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.2 ptm180 -65.91 -42.49 90.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 55.31 110.306 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 8.7 ttmt -64.69 -30.21 71.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 74.03 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.413 ' O ' ' OE1' ' A' ' 350' ' ' GLN . 20.0 mmm180 -62.01 -32.09 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.13 110.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.427 HD21 ' CE1' ' A' ' 408' ' ' TYR . 10.5 mt -77.65 -49.03 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 75.15 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 347' ' ' LEU . 57.2 mt-30 -37.17 -38.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 74.42 110.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 345' ' ' LYS . 1.8 mp0 -70.04 -66.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 73.21 110.282 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . 0.561 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 1.2 mp0 -42.81 -52.66 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.04 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 409' ' ' GLU . 0.4 OUTLIER -37.66 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 73.21 109.261 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -50.26 -47.22 55.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 75.03 110.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . 0.42 ' OE1' ' NE2' ' A' ' 350' ' ' GLN . 76.2 mt-10 -51.96 -30.14 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 75.23 110.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.47 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 0.1 OUTLIER -79.83 -39.27 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.45 110.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 38.1 t -77.24 0.61 21.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 73.54 110.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -97.96 -26.17 14.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.43 110.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 360' ' ' LYS . 9.4 pt-20 -104.96 -32.1 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 72.55 110.323 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.3 OUTLIER -52.02 -54.49 29.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.42 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -60.84 -14.8 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.32 110.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 357' ' ' GLU . 24.4 mmmt -84.19 -54.63 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 75.5 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.413 ' OE2' ' CG2' ' A' ' 394' ' ' THR . 9.2 mm-40 -62.91 -35.77 81.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.2 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 2.1 t -77.58 -22.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.02 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -24.6 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 74.31 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.3 pt20 -105.14 -27.45 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.44 110.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.5 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -45.18 -36.83 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 75.52 110.295 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 0.9 OUTLIER -85.51 -25.42 26.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 74.22 110.302 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -74.34 -27.54 60.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 64.14 109.256 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 16.0 mt -50.21 -49.85 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 73.32 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.43 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -71.06 -20.87 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 74.5 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.475 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 69.1 mmm -83.76 -6.45 59.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.54 111.029 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 376' ' ' GLU . 9.8 mtpt -89.38 -58.9 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.41 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.68 -46.36 58.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 74.51 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.566 HG23 ' CD1' ' A' ' 375' ' ' TYR . 21.0 m -54.72 -39.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 71.14 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.57 ' CD2' HD12 ' A' ' 387' ' ' LEU . 13.8 m-30 -85.09 -15.86 42.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 71.3 111.01 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.4 mm-40 -76.29 -34.8 59.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 73.32 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 -37.9 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 74.2 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 381' ' ' MET . 19.1 m -118.8 82.43 20.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 74.45 110.44 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 75.13 111.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . 0.423 ' HG2' ' CG2' ' A' ' 378' ' ' THR . 3.6 pt20 -79.34 1.87 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.55 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.457 ' HG3' ' CG2' ' A' ' 378' ' ' THR . 4.0 mtt -99.42 -48.62 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.11 111.009 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.71 -163.55 25.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 73.24 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -117.41 135.51 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 73.33 109.305 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.3 12.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 75.3 110.987 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.09 -10.1 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 74.11 109.337 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 38.9 t -100.58 6.56 44.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 65.34 109.972 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 375' ' ' TYR . 8.7 mt -109.91 -2.45 17.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 74.52 109.354 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.9 mt-10 -78.49 -47.68 1.91 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 73.33 110.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.0 -13.24 21.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 74.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -95.33 -32.32 13.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 63.5 110.295 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 20.7 mt -67.88 -63.3 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 74.23 109.312 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.32 -21.67 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 74.31 109.324 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.38 -38.83 55.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 75.44 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 2.9 m -80.05 -29.31 39.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 65.24 110.431 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 2.8 mm? -78.89 -29.57 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 73.21 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 37.4 m -90.1 -23.01 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 70.21 109.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -83.99 -52.35 6.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.01 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 394' ' ' THR . 33.2 mt -43.27 -29.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 75.24 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.6 OUTLIER -69.19 -54.92 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.12 110.316 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 2.4 mtm105 -59.42 -35.85 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.53 110.262 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.13 -73.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 73.03 109.269 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 7.7 ptmt -47.62 -60.14 2.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 72.44 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.7 -50.84 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 71.41 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.606 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 23.3 mm-40 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.51 110.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 354' ' ' ARG . 0.4 OUTLIER -73.56 -4.45 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.21 109.316 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.03 -57.53 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 73.45 110.292 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -48.03 -42.58 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.31 109.322 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 10.3 m-85 -61.8 -54.09 47.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 73.34 110.983 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 351' ' ' LEU . 30.8 mm-40 -54.96 -22.41 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.24 110.33 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.37 -20.15 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 72.33 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.0 m0 -75.2 -40.35 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 74.11 108.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.409 ' CD2' ' O ' ' A' ' 408' ' ' TYR . 4.6 mm? -39.81 -40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.2 109.281 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.53 -39.89 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.34 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.9 mm-40 -64.24 -14.26 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.15 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.73 -56.63 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.21 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.5 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 0.7 OUTLIER -47.53 -51.98 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 64.32 110.265 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 20.7 t -47.99 -52.82 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 73.24 110.007 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -53.34 -32.7 50.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.32 110.255 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.25 -76.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.15 109.301 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.23 109.269 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . 0.419 ' HA ' ' NH2' ' A' ' 344' ' ' ARG . 31.0 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.29 -0.263 . . . . 71.12 110.29 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -90.1 -21.18 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.35 110.245 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.37 -33.28 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.32 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.521 ' NH2' ' CG2' ' A' ' 419' ' ' VAL . 6.8 ptp180 -90.85 -6.33 54.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 72.21 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -78.87 -27.98 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 73.33 109.29 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 347' ' ' LEU . 5.3 ptm180 -88.04 -40.74 13.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 70.23 110.313 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 344' ' ' ARG . 17.2 mt -44.44 -59.35 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 75.35 109.321 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -59.65 -46.22 89.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 71.25 110.335 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -56.67 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 61.44 110.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -44.31 -45.97 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.24 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 405' ' ' VAL . 26.0 tp -42.71 -53.85 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 75.34 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 356' ' ' ARG . 4.9 tt0 -55.76 -49.11 74.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.14 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.02 -16.38 12.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 71.11 110.326 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 401' ' ' LEU . 4.3 tpt180 -95.75 -40.59 9.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.34 110.269 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.39 0.48 53.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.52 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 352' ' ' GLU . 54.6 mtt180 -99.42 -45.3 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 73.45 110.301 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 401' ' ' LEU . 11.6 pt-20 -80.17 3.04 21.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 70.53 110.255 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.457 HD21 ' CG2' ' A' ' 362' ' ' VAL . 5.2 tt -77.92 -55.39 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 72.1 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -56.27 -16.87 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 73.31 110.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -76.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 75.3 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.463 ' HB2' ' CG2' ' A' ' 394' ' ' THR . 13.1 pt-20 -57.06 -22.77 41.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 74.11 110.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.457 ' CG2' HD21 ' A' ' 358' ' ' LEU . 1.7 t -77.11 -37.48 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.32 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.87 -30.26 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 75.55 109.317 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.1 pt20 -103.77 -24.95 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.01 110.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -37.73 -40.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 71.31 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . 0.411 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.5 pt-20 -90.98 -31.92 16.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 74.03 110.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -54.8 -38.12 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 73.33 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 14.5 mt -43.82 -45.26 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.11 109.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -41.38 66.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 75.14 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 367' ' ' ALA . 0.0 OUTLIER -61.19 -28.09 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.33 109.269 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.61 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 49.2 mmm -80.65 -6.07 57.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 75.21 110.987 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.475 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.5 mtpt -90.94 -59.8 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 73.12 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.08 -47.76 61.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.15 109.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 375' ' ' TYR . 28.5 m -49.02 -37.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 72.52 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 371' ' ' MET . 19.2 m-30 -86.63 -26.28 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 74.12 110.999 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.05 -26.16 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.54 110.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -37.41 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 72.11 109.279 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 381' ' ' MET . 27.4 m -128.49 71.38 80.34 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 73.52 110.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 382' ' ' GLY . 18.3 Cg_endo -74.99 1.7 7.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 74.52 111.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -72.56 -13.87 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 74.41 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.1 OUTLIER -104.41 -4.84 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.45 111.005 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.535 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.57 -177.73 41.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 70.43 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.39 147.11 60.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 74.34 109.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.51 1.794 . . . . 73.33 111.045 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.17 -14.47 60.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 75.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 97.6 p -101.1 4.76 42.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 75.04 109.999 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 391' ' ' ILE . 41.5 mt -110.43 -3.89 15.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 73.15 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.5 mt-10 -72.73 -46.96 9.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 71.34 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.98 -9.13 20.67 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 74.01 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.77 -31.31 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 64.52 110.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 387' ' ' LEU . 23.5 mt -77.44 -54.54 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 70.22 109.26 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.95 56.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 73.4 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.06 -34.99 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.12 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 361' ' ' GLU . 4.9 m -84.98 -11.7 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 64.42 110.412 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.99 -28.06 14.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.51 109.234 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 7.2 t -90.59 -5.89 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 75.32 109.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -97.0 -52.59 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.42 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 96.3 mt -46.83 -42.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.32 109.326 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.415 ' HA ' ' CD ' ' A' ' 402' ' ' LYS . 0.1 OUTLIER -54.48 -39.51 67.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 71.33 110.325 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 39.5 mtt180 -74.28 -38.77 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 73.51 110.298 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 354' ' ' ARG . 1.5 mt -59.21 -55.79 30.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.43 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 405' ' ' VAL . 6.1 ptmm? -59.2 -58.05 10.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.14 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.414 ' HA ' ' NE2' ' A' ' 406' ' ' GLN . 1.8 mm? -42.99 -53.31 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 72.01 109.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.548 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 20.7 mm-40 -60.57 -33.25 72.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.11 110.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 401' ' ' LEU . 98.9 t -76.15 -6.8 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 75.5 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 403' ' ' LEU . 0.7 OUTLIER -98.84 -57.53 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 75.04 110.323 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -44.72 -42.0 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.44 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 6.3 m-85 -62.26 -57.38 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 72.02 111.001 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.42 -21.09 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 62.43 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.49 -21.29 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.34 109.298 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.0 -38.38 64.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.974 -1.121 . . . . 75.41 107.974 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 347' ' ' LEU . 4.1 mm? -39.81 -44.81 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 73.33 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.63 -38.88 38.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.43 109.299 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.54 -15.26 60.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 72.11 110.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.66 -63.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.22 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 419' ' ' VAL . 9.2 mt-10 -46.46 -34.41 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.14 110.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 t -47.27 -42.24 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.4 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -60.83 -32.96 72.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.32 110.28 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.521 ' CG2' ' NH2' ' A' ' 344' ' ' ARG . 36.8 t -70.37 -72.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 74.42 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.31 109.311 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.309 -0.256 . . . . 74.15 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 343' ' ' GLN . 0.0 OUTLIER -96.1 -24.56 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 74.33 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' ' 342' ' ' GLN . 39.3 tt0 -56.65 -31.55 64.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 73.24 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.485 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.9 ptm180 -74.29 -26.21 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 75.24 110.286 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -30.0 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 74.23 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -38.06 81.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.34 110.258 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 351' ' ' LEU . 4.2 mt -59.41 -61.64 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.33 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -39.47 -29.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 72.43 110.314 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 347' ' ' LEU . 38.1 mt-30 -85.19 -47.87 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 74.2 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 347' ' ' LEU . 18.4 mm-40 -71.71 -6.14 39.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 74.33 110.303 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 347' ' ' LEU . 1.4 tt -84.53 -50.72 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.31 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 21.1 tt0 -63.18 -23.89 67.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 72.53 110.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -76.03 -51.3 12.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.3 110.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.448 ' NH2' ' CD ' ' A' ' 404' ' ' GLU . 9.0 mmt180 -58.83 -33.39 70.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 75.04 110.276 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 7.0 t -86.37 -1.96 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.4 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.1 mmm-85 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.13 110.296 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 360' ' ' LYS . 0.6 OUTLIER -99.47 1.44 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 71.22 110.272 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 401' ' ' LEU . 2.4 tt -89.39 -49.69 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.53 109.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 50.0 tp60 -59.25 -27.38 65.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 74.42 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 357' ' ' GLU . 2.1 ptpt -78.69 -38.78 38.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 73.53 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 360' ' ' LYS . 5.6 mm-40 -69.36 -36.76 77.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 71.45 110.261 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.68 -39.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.33 109.256 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 7.9 t70 -56.63 -29.7 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 71.53 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.5 pt20 -104.65 -27.68 11.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 75.2 110.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 364' ' ' GLN . 0.9 OUTLIER -35.68 -44.39 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 70.31 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -85.44 -36.47 20.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 74.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -51.75 -35.67 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 73.12 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 390' ' ' GLN . 10.3 mt -45.66 -45.31 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 73.15 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -37.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 65.5 109.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.486 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 0.0 OUTLIER -65.44 -30.0 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 64.42 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 39.6 mmm -73.66 -7.42 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 74.22 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.0 mtpt -92.12 -56.57 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 75.5 109.308 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.73 -42.57 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 74.33 109.282 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 375' ' ' TYR . 17.3 m -53.55 -33.78 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 73.41 109.278 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.599 ' CD1' HG21 ' A' ' 374' ' ' VAL . 22.4 m-30 -90.15 -26.74 20.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 73.23 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -63.72 -26.76 68.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 72.34 110.294 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -35.57 4.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 73.21 109.284 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 381' ' ' MET . 33.3 m -130.07 67.88 80.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 74.44 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.03 1.88 7.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 72.13 110.987 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.86 -1.61 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.4 110.277 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -118.93 -4.81 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 75.23 111.005 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 173.19 -164.26 36.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 35.52 111.02 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.416 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 2.0 m-20 -154.28 146.39 17.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 70.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -24.54 12.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 65.54 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.16 -17.38 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 71.23 109.334 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 34.3 m -100.63 7.12 44.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 75.53 109.977 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 71.4 mt -108.65 -12.26 14.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 64.41 109.283 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.594 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -58.45 -45.41 99.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 75.45 110.245 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.03 -6.89 18.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 73.31 110.988 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 368' ' ' LEU . 5.6 tt0 -99.65 -21.21 15.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 75.01 110.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 372' ' ' LYS . 18.6 mt -89.99 -54.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 72.44 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.76 -23.92 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 75.15 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 389' ' ' PRO . 15.3 tt0 -78.37 -40.05 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 74.21 110.334 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.407 ' O ' ' CG1' ' A' ' 398' ' ' ILE . 31.2 m -76.52 -26.55 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 74.23 110.421 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . 0.502 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 2.3 mm? -84.36 -28.02 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 65.14 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 42.1 t -88.25 -20.84 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 63.33 110.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 400' ' ' ARG . 92.8 m-20 -86.48 -47.72 9.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 75.55 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.493 ' O ' ' CD ' ' A' ' 402' ' ' LYS . 46.1 mt -48.08 -28.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 73.4 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.3 OUTLIER -72.57 -36.74 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 75.13 110.308 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 16.4 mtp85 -76.03 -39.88 54.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 75.14 110.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 358' ' ' LEU . 13.8 mt -53.08 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 64.12 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.35 -56.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 75.22 109.35 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -42.67 -50.93 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 70.13 109.315 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 400' ' ' ARG . 2.5 mm-40 -60.33 -36.69 78.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.44 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 402' ' ' LYS . 24.6 t -73.21 -5.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 75.3 109.277 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -99.54 -57.8 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.32 110.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.602 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.9 ptpp? -46.94 -43.39 19.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 75.21 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 5.1 m-85 -62.47 -59.92 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.14 110.97 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.435 ' HG3' ' CD1' ' A' ' 351' ' ' LEU . 8.2 mt-10 -53.09 -19.93 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 73.21 110.29 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.414 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -22.5 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 65.14 109.271 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -71.99 -40.84 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 75.53 107.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.5 mm? -39.79 -43.76 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.44 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.84 32.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.01 109.351 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.3 mm-40 -63.49 -16.06 59.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 65.3 110.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 75.43 109.308 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.485 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 31.0 mt-10 -38.47 -50.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 75.51 110.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 23.0 t -51.93 -48.58 64.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 73.51 110.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 415' ' ' ALA . 36.9 mtp85 -57.55 -32.29 66.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 74.02 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 39.4 t -73.15 -70.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 74.34 109.327 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.41 109.33 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.341 -0.244 . . . . 74.14 110.341 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -23.54 15.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.45 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.72 -30.74 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 75.2 110.296 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.44 -6.3 54.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 72.33 110.309 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -84.93 -45.97 11.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 64.54 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.445 ' CG ' HD22 ' A' ' 347' ' ' LEU . 3.4 ptt85 -57.14 -31.87 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.54 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.445 HD22 ' CG ' ' A' ' 346' ' ' ARG . 24.8 mt -63.65 -59.56 4.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.44 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -42.67 -44.16 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 75.01 110.279 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 351' ' ' LEU . 39.0 mm-40 -65.57 -70.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 72.55 110.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 350' ' ' GLN . 13.4 mm-40 -43.04 -27.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.23 110.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.522 ' CD1' ' CG ' ' A' ' 409' ' ' GLU . 1.3 tt -61.9 -73.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.299 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 44.1 tt0 -53.04 -20.14 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.41 110.301 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.61 -42.64 61.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 71.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.469 ' HB2' ' CG2' ' A' ' 405' ' ' VAL . 12.7 mmt180 -68.3 -57.6 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.43 110.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 358' ' ' LEU . 1.6 t -53.86 -33.56 56.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 74.34 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.8 mmm-85 -54.09 -29.94 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.55 110.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LYS . 2.9 mm-40 -105.51 -24.57 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 72.4 110.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.446 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 2.3 tt -50.43 -46.03 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 65.13 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 54.6 tp60 -72.36 -26.67 61.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 75.25 110.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . 0.458 ' HA ' ' CE ' ' A' ' 360' ' ' LYS . 0.0 OUTLIER -64.92 -45.15 87.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.52 109.274 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -76.59 -37.78 55.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 72.45 110.288 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.96 -19.97 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.12 109.312 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.8 OUTLIER -76.48 -26.55 55.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 71.31 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -104.97 -22.53 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 74.34 110.29 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.458 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.5 OUTLIER -48.36 -36.01 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.42 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 6.1 pt-20 -92.38 -20.11 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 53.21 110.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -80.89 -20.4 42.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.32 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 5.0 mt -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 65.12 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -50.04 -23.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 74.01 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.489 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 23.2 mtpt -87.5 -33.65 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.03 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.559 ' O ' ' CE2' ' A' ' 375' ' ' TYR . 52.5 mmm -66.41 -10.53 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 73.42 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -61.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 74.23 109.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 12.1 t0 -45.26 -35.23 3.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 52.12 109.275 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 370' ' ' LYS . 35.5 m -52.87 -44.51 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 74.15 109.252 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.569 ' CE1' ' HA3' ' A' ' 382' ' ' GLY . 18.5 m-85 -80.63 -31.89 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 71.43 110.97 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -54.12 -30.97 50.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.45 110.306 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.6 OUTLIER -111.93 -32.43 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 74.13 109.336 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.6 m -133.72 69.83 75.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 72.12 110.41 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.5 Cg_endo -74.97 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 64.43 111.023 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -70.71 -5.71 31.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 72.1 110.303 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -114.94 -7.54 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 71.05 111.032 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.569 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 164.99 -171.81 40.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 75.44 111.027 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.558 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 48.3 m-20 -132.6 146.96 63.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 74.11 109.284 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.78 19.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 70.54 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.4 ' HA ' ' CG ' ' A' ' 388' ' ' GLU . . . -79.14 -2.7 42.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 71.45 109.262 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 14.5 m -101.65 7.06 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 71.41 109.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.15 -0.62 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 75.42 109.338 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.0 OUTLIER -68.68 -46.23 34.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 63.55 110.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.02 -10.74 21.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 62.24 111.014 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -99.46 -31.28 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.24 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.466 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 11.5 mt -60.76 -60.5 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.12 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.77 -15.18 39.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 64.14 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 15.7 tt0 -83.79 -34.03 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 63.32 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 9.6 m -72.39 -50.57 25.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 70.24 110.372 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.42 -49.05 78.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.24 109.246 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' SER . . . . . 0.467 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 5.5 t -68.99 -14.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 73.21 109.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.47 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 20.2 m-20 -91.11 -22.87 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 71.43 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 18.7 mt -83.13 -43.41 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.13 109.26 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 403' ' ' LEU . 0.0 OUTLIER -69.22 -20.73 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 75.43 110.355 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 6.7 ptm180 -98.63 -8.5 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 73.02 110.271 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.401 ' CD1' ' OE2' ' A' ' 361' ' ' GLU . 10.8 mt -95.61 -39.97 9.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.5 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -78.44 -34.96 47.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 74.41 109.281 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -59.87 -50.9 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 65.1 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 71.5 mm-40 -61.09 -24.9 66.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 72.42 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 354' ' ' ARG . 96.7 t -92.29 -4.66 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 72.14 109.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -98.76 -14.26 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 74.35 110.315 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -95.52 -41.05 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.01 109.299 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 9.0 m-85 -62.33 -59.96 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.32 111.013 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.522 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 4.9 mt-10 -54.02 -19.38 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.42 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.38 -22.01 16.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 72.12 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -72.85 -42.16 64.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.43 107.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.3 mm? -39.52 -42.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.42 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.37 -40.55 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 72.21 109.267 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.3 mm-40 -63.5 -14.77 54.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.24 110.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.57 -60.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.24 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.21 -53.86 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.24 110.28 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.4 t -45.88 -39.33 8.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 73.14 110.011 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -70.47 -48.14 57.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.12 110.291 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 78.9 t -50.17 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 73.03 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 74.32 109.292 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.34 -0.244 . . . . 74.15 110.34 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 345' ' ' LYS . 11.6 mt-30 -98.25 -47.39 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 70.14 110.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -40.63 -35.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.11 110.323 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 416' ' ' GLU . 9.5 ptm180 -67.76 -47.81 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 73.22 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 342' ' ' GLN . 2.7 ptpt -49.92 -29.76 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 60.22 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -68.95 -41.47 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 75.51 110.283 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 351' ' ' LEU . 18.5 mt -65.78 -46.11 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.41 109.272 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -55.81 -20.03 13.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 72.44 110.319 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -87.64 -75.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.44 110.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -46.16 -30.76 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.42 110.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.501 ' CD1' ' CG2' ' A' ' 405' ' ' VAL . 0.3 OUTLIER -60.0 -59.13 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 74.24 109.325 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.1 tt0 -60.42 -21.89 62.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 72.11 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 356' ' ' ARG . 75.7 mt-10 -87.87 -10.26 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 72.24 110.317 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.432 ' HD2' ' CD2' ' A' ' 401' ' ' LEU . 4.2 mmt180 -95.55 -35.92 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 74.01 110.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 358' ' ' LEU . 2.0 t -75.11 -54.8 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 75.13 109.966 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.471 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 0.2 OUTLIER -46.31 -47.55 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.45 110.327 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 356' ' ' ARG . 0.3 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 74.41 110.304 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 355' ' ' SER . 3.5 tt -64.19 -48.91 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 73.34 109.351 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.1 tp60 -65.46 -10.06 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 75.13 110.265 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -87.5 -29.72 21.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 74.24 109.292 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 394' ' ' THR . 7.2 mm-40 -78.86 -39.39 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 72.11 110.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 398' ' ' ILE . 3.1 t -79.87 -31.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.0 OUTLIER -61.62 -23.88 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.2 109.268 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 365' ' ' ARG . 5.5 pt20 -104.61 -25.28 12.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.103 . . . . 74.14 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 365' ' ' ARG . 3.6 mmm180 -35.24 -62.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.33 110.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.17 -34.31 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 74.21 110.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 370' ' ' LYS . . . -51.1 -50.23 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 75.35 109.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 6.8 mt -42.09 -57.78 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.43 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -45.83 -38.96 7.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.12 109.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 367' ' ' ALA . 16.3 mtmt -72.85 -37.0 67.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.22 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 368' ' ' LEU . 61.8 mmm -63.29 -11.01 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 74.22 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.468 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 1.3 mtpm? -88.47 -55.14 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 72.34 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 18.5 t0 -50.97 -41.02 59.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 73.45 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.478 HG23 ' CE1' ' A' ' 375' ' ' TYR . 4.2 m -53.95 -33.41 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.02 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.576 ' CE1' ' HA3' ' A' ' 382' ' ' GLY . 20.5 m-30 -91.48 -27.25 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.42 110.983 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.32 -26.28 68.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 75.52 110.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -115.1 -36.31 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.04 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 381' ' ' MET . 4.3 m -130.87 69.03 82.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 72.31 110.391 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . 0.419 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.57 7.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 73.24 110.969 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -73.69 -2.84 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 63.34 110.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.88 -4.6 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 71.03 111.01 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 176.99 39.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 41.42 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.424 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 0.6 OUTLIER -127.78 144.4 51.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 62.11 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.46 11.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.799 . . . . 75.33 111.009 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.96 -12.56 51.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 74.25 109.257 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 m -100.79 9.01 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.53 110.021 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 391' ' ' ILE . 13.4 mt -117.02 -3.8 11.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 73.04 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.627 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.98 -43.85 2.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 74.4 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.05 -20.65 16.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 73.32 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -89.06 -28.19 20.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 72.43 110.276 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 387' ' ' LEU . 12.6 mt -67.9 -56.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 74.01 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.07 -11.85 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 63.04 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.416 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -85.17 -32.95 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 65.12 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 365' ' ' ARG . 2.0 m -69.22 -34.5 74.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 63.42 110.364 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . 0.41 HD21 ' NE ' ' A' ' 365' ' ' ARG . 2.2 mm? -74.99 -54.58 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 75.22 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' SER . . . . . 0.443 ' O ' ' NE ' ' A' ' 400' ' ' ARG . 3.1 t -60.62 -20.09 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 72.25 109.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.416 ' ND2' ' HG2' ' A' ' 393' ' ' GLU . 78.1 m-20 -90.04 -25.55 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 72.52 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 362' ' ' VAL . 10.8 mt -77.26 -46.1 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 71.24 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 403' ' ' LEU . 0.2 OUTLIER -62.29 -36.41 82.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.31 110.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 400' ' ' ARG . 3.4 ptp180 -83.02 -7.11 59.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.01 110.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 404' ' ' GLU . 2.8 mt -89.92 -74.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.4 109.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 401' ' ' LEU . 0.6 OUTLIER -39.49 -44.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 73.42 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 399' ' ' GLU . 1.1 mp -46.64 -49.68 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 74.2 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 21.0 mm-40 -56.3 -44.25 79.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 75.02 110.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 351' ' ' LEU . 3.4 t -73.16 -3.86 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 73.31 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.48 -40.36 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 75.04 110.289 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.623 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -75.02 -41.01 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 75.04 109.358 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.7 m-85 -63.91 -59.37 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 73.44 110.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 351' ' ' LEU . 8.4 mt-10 -54.28 -18.93 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 74.22 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.32 -23.77 15.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.3 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.4 m0 -71.02 -42.01 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 70.01 107.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.5 mm? -39.72 -42.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.52 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.72 28.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 71.54 109.313 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.9 mm-40 -64.0 -15.02 58.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 75.21 110.267 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.93 -64.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 72.14 109.255 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 344' ' ' ARG . 42.8 mt-10 -38.72 -45.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 73.54 110.278 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.2 p -39.74 -49.83 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 54.23 110.043 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 -57.96 -45.56 86.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.41 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 416' ' ' GLU . 75.9 t -55.71 -62.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 74.31 109.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 75.03 109.271 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.275 -0.268 . . . . 72.22 110.275 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 342' ' ' GLN . 0.0 OUTLIER -78.94 -17.73 55.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 72.12 110.331 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -57.51 -28.8 63.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 75.35 110.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.476 ' HA ' ' CD1' ' A' ' 347' ' ' LEU . 0.9 OUTLIER -79.34 -16.43 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.42 110.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.426 ' HD2' ' NE2' ' A' ' 349' ' ' GLN . 0.0 OUTLIER -79.96 -23.9 41.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 74.34 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 347' ' ' LEU . 1.4 ptm180 -75.26 -30.81 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.53 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 344' ' ' ARG . 4.1 mt -67.14 -73.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 72.34 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 347' ' ' LEU . 26.7 mt-30 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.42 110.275 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 347' ' ' LEU . 69.6 mt-30 -67.59 -57.4 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.13 110.288 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . 0.405 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 70.9 mm-40 -62.96 -30.13 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 74.35 110.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 408' ' ' TYR . 0.1 OUTLIER -62.04 -56.76 15.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.51 109.365 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.41 -11.33 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 74.35 110.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -87.3 -46.95 9.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 75.21 110.29 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 358' ' ' LEU . 48.2 mmt-85 -62.12 -53.09 60.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.33 110.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 17.8 t -48.54 -23.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 70.42 109.967 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -82.13 -57.86 3.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 74.14 110.333 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 401' ' ' LEU . 5.4 pt-20 -70.26 -6.27 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 71.55 110.305 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.475 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.4 OUTLIER -87.28 -52.43 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 75.31 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 46.8 tp60 -68.14 -8.14 35.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 75.25 110.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -84.35 -29.93 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.3 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 360' ' ' LYS . 60.1 mm-40 -96.7 -33.62 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 75.43 110.32 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.468 ' CG2' HG12 ' A' ' 398' ' ' ILE . 1.8 t -77.07 -19.41 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.32 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.1 OUTLIER -76.78 -26.0 54.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 72.3 109.312 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 367' ' ' ALA . 5.8 pt20 -105.12 -25.15 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.44 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.52 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -44.75 -37.66 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 71.4 110.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.1 pt-20 -88.57 -24.14 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 75.44 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -77.0 -20.42 56.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.24 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 8.4 mt -56.25 -55.67 30.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 73.14 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -59.18 -22.78 61.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 75.31 109.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -77.33 -23.58 50.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.14 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 375' ' ' TYR . 65.7 mmm -80.22 -6.5 57.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 74.01 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 376' ' ' GLU . 12.7 mttt -86.98 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 75.25 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -48.2 -47.89 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 72.23 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.535 HG22 ' CD1' ' A' ' 375' ' ' TYR . 18.3 m -53.84 -39.33 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 74.23 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 387' ' ' LEU . 12.8 m-30 -84.33 -16.91 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 71.41 111.006 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 372' ' ' LYS . 3.2 mm-40 -75.25 -34.61 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.52 110.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 -40.34 5.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 71.22 109.277 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 378' ' ' THR . . . . . . . . . . . . . 12.7 m -116.77 83.01 13.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 71.32 110.372 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 74.4 111.019 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -78.48 -0.58 29.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 72.03 110.311 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 3.5 mtt -96.65 -48.24 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 74.31 110.986 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -173.65 -167.29 33.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 72.32 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -110.97 135.57 20.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 75.43 109.307 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.98 10.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 75.22 110.984 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.94 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 74.53 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 13.7 m -93.78 4.0 54.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 73.52 110.012 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 375' ' ' TYR . 39.9 mt -107.22 -7.7 16.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.51 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.3 mt-10 -77.86 -48.04 2.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 73.34 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.03 -9.2 20.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 50.13 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -95.62 -35.23 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 74.4 110.31 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 11.3 mt -60.27 -67.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 75.45 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.91 -19.95 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.31 109.293 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 12.1 tt0 -79.68 -37.03 36.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.15 110.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 65.7 m -78.38 -33.67 48.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.42 110.343 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 395' ' ' LEU . 4.1 mm? -66.13 -59.07 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 75.04 109.352 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 12.7 m -61.7 -19.32 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 74.43 110.027 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.472 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 37.5 m-20 -85.46 -20.2 30.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 64.3 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' A' ' 362' ' ' VAL . 15.5 mt -82.37 -48.01 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 74.14 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -64.95 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.02 110.274 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.6 ptm180 -71.98 -7.85 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 75.45 110.353 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.435 ' CD2' ' OE2' ' A' ' 357' ' ' GLU . 7.5 mt -96.86 -68.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.31 109.337 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 405' ' ' VAL . 12.5 ptpt -43.54 -49.58 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 73.34 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -45.72 -41.84 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 74.53 109.272 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 401' ' ' LEU . 38.3 mm-40 -71.41 -32.0 67.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 75.23 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 351' ' ' LEU . 0.4 OUTLIER -73.78 -4.8 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 73.24 109.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -99.1 -58.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 72.12 110.266 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.608 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -46.06 -44.79 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 75.24 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.486 ' CB ' HD22 ' A' ' 351' ' ' LEU . 4.9 m-85 -63.28 -56.51 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 72.32 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 351' ' ' LEU . 1.1 mm-40 -55.22 -20.77 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 72.12 110.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.25 -23.28 15.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 74.5 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -70.66 -39.32 73.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 71.14 107.984 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 347' ' ' LEU . 4.4 mm? -40.29 -44.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.31 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.51 -39.82 36.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 75.43 109.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.1 mm-40 -63.18 -16.03 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 74.24 110.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -101.64 -67.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 71.14 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.93 -43.18 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 72.33 110.262 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -39.11 -44.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 72.14 109.992 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.35 -53.09 60.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.3 110.31 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 53.9 t -50.25 -58.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 73.21 109.266 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.22 109.29 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.317 -0.253 . . . . 73.5 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 345' ' ' LYS . 27.0 mm100 -98.29 -33.33 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.24 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -47.45 -51.31 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 75.4 110.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . 0.468 ' HG3' ' CD ' ' A' ' 345' ' ' LYS . 9.5 ptm180 -62.2 -21.51 65.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 73.4 110.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' LYS . . . . . 0.468 ' CD ' ' HG3' ' A' ' 344' ' ' ARG . 0.0 OUTLIER -81.57 -41.54 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 74.45 109.305 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' ARG . . . . . 0.738 ' NH2' HE22 ' A' ' 349' ' ' GLN . 0.8 OUTLIER -53.88 -43.74 69.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 70.05 110.298 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.95 -68.22 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 74.3 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' GLN . . . . . 0.415 ' NE2' HD13 ' A' ' 412' ' ' LEU . 58.6 mt-30 -38.16 -38.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 72.52 110.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' GLN . . . . . 0.738 HE22 ' NH2' ' A' ' 346' ' ' ARG . 7.6 mt-30 -68.12 -60.17 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 64.41 110.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -61.04 -14.27 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 73.14 110.278 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' LEU . . . . . 0.495 ' CD1' ' CG1' ' A' ' 405' ' ' VAL . 15.8 tp -73.21 -50.74 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 65.14 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.74 -36.1 73.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 75.2 110.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.8 mt-10 -71.15 -60.21 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 75.14 110.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . 0.421 ' NH2' ' HG3' ' A' ' 404' ' ' GLU . 3.6 tpt180 -45.01 -42.23 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 72.02 110.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 13.5 t -72.13 -31.98 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 62.42 109.974 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 356' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 353' ' ' GLU . 12.5 mtt180 -66.27 -50.96 61.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 74.24 110.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.22 -5.53 32.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 73.2 110.326 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 358' ' ' LEU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 401' ' ' LEU . 1.9 tt -92.96 -47.75 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 71.44 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -71.81 -15.81 62.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.44 110.33 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.2 -25.95 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 64.23 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -91.08 -30.04 16.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 73.42 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 362' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 398' ' ' ILE . 2.0 t -77.15 -25.19 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.45 -24.37 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 70.12 109.28 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 364' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 367' ' ' ALA . 6.9 pt20 -104.98 -27.4 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 74.3 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 365' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 366' ' ' GLU . 0.0 OUTLIER -46.8 -33.83 4.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 74.24 110.228 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 366' ' ' GLU . . . . . 0.483 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 2.0 pt-20 -84.99 -25.55 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.24 110.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 367' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -76.07 -30.03 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 54.55 109.291 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 394' ' ' THR . 15.2 mt -48.47 -54.65 13.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 73.24 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -59.02 -26.22 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.14 109.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 370' ' ' LYS . . . . . 0.424 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 22.6 mtpt -78.91 -31.19 45.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 75.22 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 371' ' ' MET . . . . . 0.451 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 61.9 mmm -68.54 -8.91 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 74.43 110.964 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 372' ' ' LYS . . . . . 0.452 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 14.3 mtpt -90.18 -54.46 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.41 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 373' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 35.5 t0 -51.45 -39.1 56.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 72.24 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 374' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 375' ' ' TYR . 5.1 m -55.82 -33.47 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.22 109.281 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 375' ' ' TYR . . . . . 0.566 ' CE1' HG23 ' A' ' 374' ' ' VAL . 17.8 m-30 -91.77 -23.91 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 75.24 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.64 -28.46 68.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.03 110.318 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 377' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -114.04 -35.74 4.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 73.12 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 378' ' ' THR . . . . . 0.444 ' HB ' ' CE ' ' A' ' 381' ' ' MET . 4.4 m -125.57 84.92 59.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 50.42 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.39 8.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.761 . . . . 73.42 110.983 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -82.02 -1.16 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 73.24 110.318 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' MET . . . . . 0.444 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 5.9 mtt -90.95 -49.91 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 74.21 111.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.408 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -169.52 -158.2 13.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 51.33 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.05 134.64 23.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 70.23 109.31 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.33 8.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 75.13 111.009 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 73.41 109.29 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 15.9 m -92.53 7.72 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 75.43 110.013 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 375' ' ' TYR . 89.3 mt -111.85 -12.29 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 75.32 109.336 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 4.2 mm-40 -72.96 -43.78 8.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 74.24 110.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.95 -8.12 19.83 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.53 1.805 . . . . 71.21 111.0 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -97.4 -38.14 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 75.3 110.278 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 24.8 mt -62.27 -68.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 73.24 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 396' ' ' SER . . . -49.34 -23.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.52 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -75.57 -39.71 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.05 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 7.8 m -84.83 -16.05 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 71.32 110.408 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -95.62 -27.88 15.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 74.45 109.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 392' ' ' ALA . 49.5 m -92.03 -7.85 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 65.42 110.022 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 72.6 m-20 -97.53 -52.87 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 61.2 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 394' ' ' THR . 79.7 mt -45.65 -42.28 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 73.34 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . 0.407 ' OE2' ' CZ ' ' A' ' 400' ' ' ARG . 0.1 OUTLIER -56.19 -38.31 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.41 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 7.1 mtt-85 -80.29 -31.02 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 75.01 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.482 ' O ' ' CG2' ' A' ' 405' ' ' VAL . 22.8 mt -59.19 -70.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 75.23 109.326 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 405' ' ' VAL . 0.7 OUTLIER -48.77 -55.32 11.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.15 109.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 4.6 mp -45.13 -49.08 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 75.12 109.306 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' GLU . . . . . 0.557 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 13.9 mm-40 -66.53 -31.67 72.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 74.41 110.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . 0.495 ' CG1' ' CD1' ' A' ' 351' ' ' LEU . 7.5 t -76.51 -4.89 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 75.22 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.05 -58.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 71.15 110.298 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 2.9 ptpt -43.18 -44.56 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.45 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 9.8 m-85 -61.08 -59.67 4.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 54.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -53.07 -19.98 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 71.21 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.46 -21.96 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 61.43 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.4 m0 -73.77 -38.97 64.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 74.13 107.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 411' ' ' TRP . 3.7 mm? -39.38 -43.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.43 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.21 27.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 63.25 109.263 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -63.25 -15.01 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 74.32 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -67.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 64.22 109.31 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.454 ' CD ' ' NH2' ' A' ' 344' ' ' ARG . 39.1 mt-10 -38.86 -46.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.34 110.262 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.2 t -39.57 -53.04 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.33 110.031 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' ARG . . . . . 0.423 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 0.6 OUTLIER -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 74.51 110.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 59.2 t -47.08 -62.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 74.53 109.371 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 71.23 109.314 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.961 -0.856 . . . . 73.12 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -61.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 73.5 111.041 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -110.26 158.34 18.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.23 109.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.06 148.04 40.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 75.02 111.043 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 9.9 t -74.42 -176.73 2.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 65.31 110.441 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.25 -73.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 75.4 110.315 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -81.49 146.83 30.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 75.41 109.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -104.1 14.81 29.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 74.53 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 4.0 p -74.68 -53.6 8.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 62.55 110.011 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -53.59 -22.26 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 71.54 109.591 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.72 158.35 85.96 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 63.52 109.312 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.97 25.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 65.43 111.013 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -12.82 21.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.552 1.817 . . . . 75.44 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -86.23 -38.24 17.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 73.43 110.332 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.415 ' NE2' ' HG2' ' A' ' 345' ' ' LYS . 0.0 OUTLIER -91.23 -21.41 21.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 72.05 110.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -57.87 -43.92 86.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 75.42 110.347 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.484 ' HA ' ' CD1' ' A' ' 347' ' ' LEU . 2.5 ptm180 -74.71 -6.08 46.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 64.13 110.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 345' ' ' LYS . 2.3 tptt -88.54 -9.85 50.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 74.2 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -84.22 -61.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.15 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 344' ' ' ARG . 0.5 OUTLIER -48.94 -52.74 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 74.05 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.452 ' HG3' ' CD1' ' A' ' 412' ' ' LEU . 59.4 mt-30 -38.67 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.11 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.555 ' H ' ' NE2' ' A' ' 349' ' ' GLN . 1.4 mp0 -45.49 -60.16 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.4 110.276 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -48.43 -26.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 73.32 110.291 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 408' ' ' TYR . 1.1 tm? -76.19 -44.73 36.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 63.43 109.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.77 -22.36 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 74.43 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 356' ' ' ARG . 2.9 mm-40 -90.15 -56.38 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 110.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 404' ' ' GLU . 1.6 tpt180 -46.88 -24.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.11 110.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.4 t -92.56 -32.34 14.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.31 110.015 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 353' ' ' GLU . 6.3 mmm-85 -62.59 -53.23 57.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 73.44 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.447 ' CD ' ' CD2' ' A' ' 401' ' ' LEU . 2.4 pt-20 -63.45 -12.55 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.13 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 3.3 tt -85.52 -48.69 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.23 109.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.07 -14.09 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 73.3 110.258 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -81.55 -31.57 32.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 74.31 109.302 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 365' ' ' ARG . 5.5 mt-10 -90.16 -22.64 21.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 73.43 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.459 ' CG2' HD22 ' A' ' 358' ' ' LEU . 3.1 t -78.95 -37.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 74.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.61 -30.57 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 44.52 109.319 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.451 ' HA ' ' CB ' ' A' ' 367' ' ' ALA . 5.8 pt20 -104.66 -23.95 13.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 62.23 110.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -38.85 -48.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 75.31 110.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -87.8 -23.42 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 73.24 110.248 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 364' ' ' GLN . . . -70.06 -20.2 63.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 60.21 109.303 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 9.7 mt -58.63 -55.13 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.4 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . 0.43 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 5.3 mtmp? -49.46 -36.88 24.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.44 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.414 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 15.1 mtmt -76.31 -32.92 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 74.24 109.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.436 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 52.2 mmm -66.84 -8.11 26.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 75.11 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.462 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 10.2 mtpt -90.78 -56.61 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 75.12 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 9.5 t0 -50.42 -41.66 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 74.31 109.249 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 375' ' ' TYR . 10.4 m -50.27 -35.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.3 109.291 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.56 ' CD1' HG23 ' A' ' 374' ' ' VAL . 20.0 m-30 -90.24 -33.01 16.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 70.43 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.72 -27.04 58.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 74.12 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.8 OUTLIER -114.75 -35.84 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 74.15 109.301 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.2 m -131.53 69.22 81.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 73.13 110.397 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . 0.477 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -74.97 0.95 8.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.499 1.789 . . . . 51.14 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -71.47 -7.24 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 60.14 110.251 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -113.18 -4.84 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.24 110.976 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 168.12 171.56 34.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 71.4 110.979 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -120.08 143.43 35.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 75.42 109.292 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 74.22 111.02 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -68.55 -13.67 62.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 72.24 109.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 9.8 t -100.63 8.7 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 74.3 110.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 375' ' ' TYR . 97.6 mt -114.22 -1.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 74.02 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.92 -47.98 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.51 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.94 -6.56 18.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 75.11 111.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -99.44 -33.74 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.5 110.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.462 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 24.0 mt -65.51 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.24 109.29 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 74.53 109.359 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.29 -38.8 49.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 73.12 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.439 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 3.4 m -79.38 -18.39 52.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 63.54 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 3.0 mm? -93.6 -28.22 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 73.31 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 41.2 m -90.92 -20.54 22.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.22 109.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 399' ' ' GLU . 79.3 m-20 -84.22 -51.91 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 74.13 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.439 ' CD1' ' O ' ' A' ' 394' ' ' THR . 52.5 mt -44.81 -27.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 75.43 109.25 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.5 OUTLIER -75.85 -57.88 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 71.52 110.254 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 400' ' ' ARG . 4.8 ptp180 -66.62 -9.39 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.54 110.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.447 ' CD2' ' CD ' ' A' ' 357' ' ' GLU . 4.2 mt -89.91 -67.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 74.44 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.46 ' CA ' HD11 ' A' ' 358' ' ' LEU . 6.4 ptmt -49.92 -46.23 51.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 73.53 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -45.77 -48.67 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 74.01 109.331 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 43.4 mm-40 -68.29 -31.81 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.24 110.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.467 ' HA ' ' CD2' ' A' ' 351' ' ' LEU . 62.3 t -73.42 -5.09 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 71.51 109.284 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -99.38 -58.4 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 74.42 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.3 ptpp? -45.78 -43.57 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 74.34 109.26 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.468 ' CB ' HD23 ' A' ' 351' ' ' LEU . 4.5 m-85 -63.14 -59.33 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.14 110.955 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.54 -20.59 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 75.14 110.289 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.37 -24.1 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.3 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 43.5 m0 -69.3 -40.67 77.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.956 -1.127 . . . . 75.22 107.956 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.452 ' CD1' ' HG3' ' A' ' 348' ' ' GLN . 4.1 mm? -40.47 -44.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 72.35 109.331 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.05 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 73.41 109.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.84 -15.1 62.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 75.04 110.278 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -102.05 -57.65 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 74.31 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 419' ' ' VAL . 6.7 mt-10 -49.21 -34.0 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.34 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 38.3 t -42.66 -35.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 71.25 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.06 -44.31 96.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 75.31 110.307 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 416' ' ' GLU . 40.7 t -64.94 -61.31 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 62.22 109.263 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.6 mt -45.45 -54.9 6.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 74.34 109.332 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 3.4 t -44.73 -53.09 7.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 71.32 109.971 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -72.04 103.59 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 72.23 109.301 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -128.72 179.12 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 74.45 110.309 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -173.9 53.46 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 44.05 110.963 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . 0.41 ' OD2' ' N ' ' A' ' 425' ' ' ASP . 1.3 m-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 71.45 109.308 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.072 -0.811 . . . . 71.22 111.072 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 74.11 111.014 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -92.43 166.3 12.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 75.02 109.629 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 12.9 tpt -151.53 157.63 42.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.43 111.039 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 23.1 p -131.48 158.55 40.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.31 110.404 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.99 67.61 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 72.4 110.312 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . 0.586 ' C ' ' CD1' ' A' ' 335' ' ' PHE . 0.3 OUTLIER 46.98 32.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 72.22 109.335 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 334' ' ' ASP . 0.2 OUTLIER 37.5 30.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 75.14 110.988 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 334' ' ' ASP . 2.1 p -104.92 8.74 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 63.35 110.017 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -113.22 -1.78 14.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 75.45 109.626 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.467 HD11 ' CA ' ' A' ' 335' ' ' PHE . 0.4 OUTLIER -116.45 163.7 21.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 73.14 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.68 14.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 65.42 110.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.05 9.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 74.3 111.073 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -92.3 -32.59 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 75.53 110.353 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.21 -18.08 18.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 74.21 110.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -69.27 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 74.23 110.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 10.3 ptm180 -70.79 -19.99 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 73.14 110.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -65.3 -44.19 88.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.34 109.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 346' ' ' ARG . 0.4 OUTLIER -59.1 -66.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 73.41 110.256 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 346' ' ' ARG . 3.3 mt -34.6 -67.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.11 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.414 ' NE2' HD11 ' A' ' 412' ' ' LEU . 77.2 mt-30 -40.49 -55.13 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.5 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -52.82 -62.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 73.2 110.324 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.38 -17.08 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 71.41 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.511 ' CD1' ' CG ' ' A' ' 409' ' ' GLU . 1.6 tt -68.64 -51.91 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 61.31 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 17.5 tt0 -64.4 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 61.5 110.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.69 -48.9 70.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 73.11 110.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.436 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 3.9 tpt180 -66.2 -37.47 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 72.44 110.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.7 t -76.39 -2.5 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.54 110.018 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 3.0 mmt-85 -98.24 -20.32 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 73.11 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.463 ' OE2' ' CD2' ' A' ' 401' ' ' LEU . 5.4 pt-20 -102.16 -16.47 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 72.22 110.3 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.481 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.6 OUTLIER -75.24 -52.23 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 72.33 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -63.87 -13.18 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 74.13 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -89.2 -34.04 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 75.23 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 365' ' ' ARG . 9.1 mm-40 -82.17 -29.79 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 74.52 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 3.1 t -79.16 -33.9 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.03 109.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.88 -31.74 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 71.21 109.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.0 pt20 -103.92 -22.78 13.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.41 110.311 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -38.73 -51.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 73.35 110.299 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.08 -23.94 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.41 110.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -68.66 -22.94 64.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 63.12 109.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 12.3 mt -57.62 -53.76 54.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 74.53 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -54.0 -31.31 50.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 75.34 109.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.4 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 18.9 mtmt -72.06 -38.08 69.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 72.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' MET . . . . . . . . . . . . . 60.1 mmm -62.16 -12.02 17.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 75.33 111.001 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 1.1 mtpm? -88.58 -54.84 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 72.12 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -51.2 -40.89 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 70.23 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.535 HG22 ' CE1' ' A' ' 375' ' ' TYR . 4.4 m -53.48 -33.35 21.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.03 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.603 ' CE1' ' N ' ' A' ' 382' ' ' GLY . 19.5 m-30 -92.21 -23.11 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.23 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.45 -26.4 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 70.34 110.294 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -36.64 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 73.45 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.485 ' CG2' ' OE1' ' A' ' 380' ' ' GLN . 8.3 m -128.49 87.99 53.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 73.25 110.37 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.28 9.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 62.51 111.06 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . 0.485 ' OE1' ' CG2' ' A' ' 378' ' ' THR . 3.0 pt20 -77.8 -6.8 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 74.44 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.432 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 9.8 mtt -89.61 -51.15 5.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.04 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.603 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -167.8 -149.82 6.26 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.49 1.119 . . . . 75.44 110.987 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.43 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 1.7 t0 -134.95 139.75 33.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 73.41 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 75.44 110.976 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.9 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.235 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 19.3 m -99.92 8.04 44.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.42 109.995 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 391' ' ' ILE . 14.1 mt -116.19 -0.51 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 75.03 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.6 mt-10 -79.5 -48.33 1.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.22 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -7.83 19.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 74.54 111.012 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -98.94 -34.73 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 64.51 110.316 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 10.8 mt -64.54 -62.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.44 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.17 -21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 74.11 109.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.76 -38.48 46.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.22 110.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.495 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 2.5 m -79.82 -18.48 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 72.33 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 3.2 mm? -92.56 -27.89 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 71.24 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 28.4 t -94.19 -7.03 43.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 62.31 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -100.0 -32.37 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 75.43 109.361 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.504 ' O ' ' CD ' ' A' ' 402' ' ' LYS . 31.0 mt -66.75 -25.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.12 109.374 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.3 OUTLIER -77.46 -23.43 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 74.45 110.318 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 8.4 mtp180 -96.45 -27.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.41 110.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.463 ' CD2' ' OE2' ' A' ' 357' ' ' GLU . 51.0 mt -65.15 -72.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 75.2 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 10.5 ptmt -49.3 -47.34 47.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 73.01 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.421 ' CG ' ' O ' ' A' ' 399' ' ' GLU . 2.1 mm? -52.01 -50.5 61.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 75.43 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.61 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 38.0 mm-40 -65.56 -30.83 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 64.21 110.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 401' ' ' LEU . 9.6 t -78.93 -4.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 75.54 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 407' ' ' LYS . 15.2 mt-30 -98.83 -58.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 64.15 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -40.48 -46.85 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 74.34 109.257 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.4 m-85 -60.53 -60.02 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.42 111.027 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.511 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 4.3 mt-10 -54.19 -19.15 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 74.34 110.354 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.23 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 73.54 109.337 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.1 m0 -74.88 -40.2 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 73.21 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 411' ' ' TRP . 3.9 mm? -38.38 -43.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 72.1 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.54 -41.6 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 71.32 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -61.44 -15.53 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 64.14 110.258 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.93 -68.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 70.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.499 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 37.4 mt-10 -38.83 -42.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 74.43 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 12.4 t -41.16 -49.64 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 75.34 109.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -56.7 -41.09 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 73.3 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 416' ' ' GLU . 47.9 t -60.78 -66.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 75.13 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 mt -48.33 -33.03 8.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 75.34 109.288 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 54.0 m -92.12 34.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 74.04 109.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 419' ' ' VAL . 31.6 m-20 -150.69 123.85 8.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 75.23 109.256 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.13 -178.25 5.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.153 . . . . 71.34 110.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -116.46 102.01 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 62.2 110.995 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 73.21 109.318 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.036 -0.826 . . . . 71.13 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.04 18.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 74.33 111.026 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -76.46 -41.51 47.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 64.01 109.564 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' MET . . . . . 0.416 ' HA ' ' NH2' ' A' ' 346' ' ' ARG . 3.2 mtp -40.57 145.35 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 65.21 111.05 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' THR . . . . . 0.465 HG22 ' CZ ' ' A' ' 346' ' ' ARG . 4.0 p -66.57 -168.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 73.24 110.39 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -130.73 -76.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 65.33 110.317 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.37 122.23 45.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 72.1 109.292 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.13 14.27 16.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 73.4 111.043 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 59.3 p -92.72 5.2 51.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 72.22 109.97 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -121.26 12.07 10.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 75.14 109.607 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 343' ' ' GLN . 0.3 OUTLIER -129.83 162.71 51.86 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 75.24 109.309 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.96 13.6 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 75.22 111.047 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.67 17.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 73.34 111.029 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.15 -37.05 34.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 71.23 110.3 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -98.28 -13.56 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 72.41 110.315 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.407 ' HB2' ' CD1' ' A' ' 338' ' ' LEU . 41.0 tt0 -86.29 -46.96 9.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 62.54 110.323 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.521 ' NH1' ' CG ' ' A' ' 416' ' ' GLU . 3.5 ptm85 -59.1 -22.39 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 71.54 110.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 346' ' ' ARG . 0.5 OUTLIER -64.02 -42.01 97.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 75.12 109.299 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.465 ' CZ ' HG22 ' A' ' 332' ' ' THR . 20.2 mmm180 -55.67 -59.44 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 73.51 110.3 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 408' ' ' TYR . 0.4 OUTLIER -36.07 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 62.44 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 347' ' ' LEU . 27.2 mt-30 -38.01 -57.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 73.25 110.335 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -47.78 -64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 74.54 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 408' ' ' TYR . 29.6 mm-40 -60.73 -15.96 34.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 75.2 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 347' ' ' LEU . 0.9 OUTLIER -73.02 -38.41 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 72.51 109.296 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -89.79 -6.28 56.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 74.42 110.271 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -96.27 -42.47 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 73.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.403 ' CG ' HG21 ' A' ' 405' ' ' VAL . 3.5 tpt180 -68.71 -39.35 80.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 75.41 110.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 9.7 p -76.04 -4.59 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 71.52 110.03 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -89.84 -29.96 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 73.1 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -98.04 -20.95 17.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 75.14 110.325 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.488 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.2 OUTLIER -65.61 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 74.24 109.293 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 43.7 tp60 -45.94 -26.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 71.25 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -71.86 -61.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 74.43 109.283 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 361' ' ' GLU . 0.2 OUTLIER -50.5 -41.88 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 74.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.455 ' CG2' HG12 ' A' ' 398' ' ' ILE . 3.0 t -75.14 -36.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 73.25 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.2 OUTLIER -58.51 -41.55 85.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 65.51 109.277 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.0 pt20 -92.7 -23.11 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 72.1 110.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 361' ' ' GLU . 0.1 OUTLIER -38.99 -54.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 63.52 110.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -80.23 -22.94 41.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 73.55 110.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -69.66 -23.81 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 74.14 109.303 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 15.9 mt -56.56 -52.51 64.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 65.3 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . 0.424 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 1.6 mtpm? -53.04 -30.08 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 73.22 109.273 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -81.79 -31.56 31.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 75.23 109.315 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.436 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 57.8 mmm -69.47 -6.79 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 75.44 111.037 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.468 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.6 mtpt -90.93 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 74.44 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 15.1 t0 -50.42 -41.4 52.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 75.25 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.568 HG22 ' CD1' ' A' ' 375' ' ' TYR . 9.5 m -50.66 -35.12 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 75.21 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.568 ' CD1' HG22 ' A' ' 374' ' ' VAL . 19.7 m-30 -90.11 -32.58 16.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 74.42 110.985 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -57.06 -27.73 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 71.24 110.338 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.1 OUTLIER -114.12 -35.04 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 73.21 109.33 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.455 ' O ' ' CG ' ' A' ' 381' ' ' MET . 55.0 m -132.03 69.06 80.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 74.1 110.43 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . 0.485 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.27 7.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 73.2 110.998 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -72.68 -3.99 28.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 73.23 110.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.455 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.84 -4.24 11.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.21 111.004 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 169.14 175.55 38.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 71.3 110.996 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.08 142.63 41.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 64.11 109.276 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.64 10.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.44 111.012 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.33 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.34 109.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 3.8 t -100.04 8.96 43.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 70.45 110.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 391' ' ' ILE . 96.0 mt -114.27 -2.4 13.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 74.34 109.342 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.7 mt-10 -78.03 -47.97 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 75.01 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.09 -6.75 18.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 73.51 110.958 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -98.24 -34.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 74.12 110.276 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 387' ' ' LEU . 7.4 mt -61.57 -65.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.31 109.265 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.56 -18.81 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 71.43 109.338 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.416 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 11.6 tt0 -78.48 -36.71 44.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 65.41 110.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 398' ' ' ILE . 4.5 m -68.79 -43.8 74.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 62.31 110.398 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.1 -48.82 80.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 73.34 109.286 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 19.2 m -69.88 -21.69 63.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 71.34 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.477 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 89.7 m-20 -90.55 -13.76 33.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 74.44 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.455 HG12 ' CG2' ' A' ' 362' ' ' VAL . 13.2 mt -87.43 -29.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.11 109.291 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.57 -17.91 34.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 61.45 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.9 ptp180 -92.06 -7.87 47.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.41 110.346 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 12.4 mt -96.74 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 71.13 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.54 -52.83 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 75.22 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.69 -52.2 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 71.13 109.296 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 64.2 mm-40 -66.75 -27.99 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.01 110.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 401' ' ' LEU . 11.3 t -77.7 -5.08 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 74.33 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -98.89 -58.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.22 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.26 -43.23 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 75.41 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 350' ' ' GLN . 9.0 m-85 -62.25 -60.16 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.53 110.981 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 351' ' ' LEU . 9.1 mm-40 -54.02 -19.76 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 70.1 110.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.01 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.44 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 42.3 m0 -73.25 -42.29 62.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 73.12 107.99 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.516 ' CD1' ' NH2' ' A' ' 344' ' ' ARG . 4.5 mm? -40.53 -43.41 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 75.31 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.91 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 62.01 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.3 mm-40 -65.02 -14.27 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 74.42 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.6 -65.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 72.33 109.28 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.521 ' CG ' ' NH1' ' A' ' 344' ' ' ARG . 0.2 OUTLIER -38.85 -57.14 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 74.25 110.298 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 t -43.6 -48.75 7.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 73.42 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.34 -44.45 84.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 72.45 110.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 67.0 t -55.2 -73.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 70.11 109.305 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.9 mt -43.87 -57.45 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 72.23 109.31 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 423' ' ' ARG . 2.7 m -39.51 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 62.1 110.027 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -45.67 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 72.14 109.26 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 421' ' ' SER . 6.1 ptm180 -82.29 132.56 35.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.31 110.329 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -126.2 26.67 5.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 54.32 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 28.6 t0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 74.01 109.329 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.035 -0.826 . . . . 64.12 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -86.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 74.2 111.049 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -94.25 -77.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 70.4 109.567 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.78 146.51 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 74.41 110.97 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 13.1 t -82.1 -178.63 7.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 72.21 110.381 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -106.22 -51.47 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 72.45 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -118.01 146.62 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 74.33 109.328 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 338' ' ' LEU . 3.3 m-85 -93.46 30.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 65.42 111.019 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 34.6 p -117.69 -38.15 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 73.25 110.012 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -47.96 -33.54 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 75.42 109.584 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 335' ' ' PHE . 0.0 OUTLIER -80.15 174.35 6.27 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 74.22 109.31 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.04 15.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 72.44 110.936 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.33 13.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 71.22 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . 0.413 ' HA ' ' NH2' ' A' ' 344' ' ' ARG . 32.7 tt0 -82.27 -40.54 21.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 62.21 110.308 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 345' ' ' LYS . 9.5 mt-30 -90.68 -37.05 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 64.12 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -42.01 -29.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.53 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.549 ' NH2' ' CG2' ' A' ' 419' ' ' VAL . 7.3 ptp180 -87.23 -38.99 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 73.14 110.336 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.7 ptmt -59.79 -34.75 73.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 73.02 109.278 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 347' ' ' LEU . 11.2 mmt180 -63.1 -54.88 30.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 74.22 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 411' ' ' TRP . 7.2 mt -39.69 -69.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 73.12 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 351' ' ' LEU . 27.3 mt-30 -40.62 -65.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 75.23 110.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 352' ' ' GLU . 0.8 OUTLIER -41.81 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 71.15 110.331 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 408' ' ' TYR . 32.7 mm-40 -46.32 -25.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 75.11 110.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.51 ' CD1' ' CG ' ' A' ' 409' ' ' GLU . 1.0 OUTLIER -68.91 -45.59 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.4 109.285 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 349' ' ' GLN . 2.1 tt0 -69.1 -28.99 66.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.42 110.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -72.8 -57.37 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 64.43 110.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -60.42 -31.74 70.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.03 110.265 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.5 t -78.51 -35.32 46.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -37.82 76.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 75.14 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -86.43 -6.47 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 75.01 110.339 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 401' ' ' LEU . 0.0 OUTLIER -88.76 -41.87 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 74.35 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 69.7 tp60 -66.06 -9.83 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.42 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -12.8 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 72.33 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.57 -41.51 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 72.13 110.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 358' ' ' LEU . 1.9 t -77.24 -19.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 74.45 109.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 2.9 t0 -76.76 -25.81 53.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 65.24 109.252 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 367' ' ' ALA . 6.8 pt20 -105.35 -25.32 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 65.42 110.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.53 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -44.23 -37.69 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 75.01 110.287 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 365' ' ' ARG . 3.7 pt-20 -85.74 -25.89 26.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.45 110.25 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -67.04 -45.63 76.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 74.11 109.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 10.3 mt -40.1 -61.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.22 109.253 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -45.76 -41.51 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 74.32 109.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 367' ' ' ALA . 21.7 mtmt -65.66 -39.97 91.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 74.22 109.277 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.457 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 38.5 mmm -60.47 -13.38 13.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 74.24 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 16.2 mtpt -88.41 -54.53 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 75.41 109.235 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.9 t0 -51.55 -40.5 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 71.11 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.515 HG21 ' CE1' ' A' ' 375' ' ' TYR . 4.4 m -53.26 -33.05 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 74.2 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.515 ' CE1' HG21 ' A' ' 374' ' ' VAL . 19.8 m-30 -92.73 -23.72 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 71.43 111.011 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.15 -27.35 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.41 110.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 1.1 ptmt -113.89 -35.59 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.53 109.302 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.402 ' HB ' ' CE ' ' A' ' 381' ' ' MET . 7.8 m -127.98 86.24 58.65 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.54 110.383 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 73.24 111.029 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -81.38 -2.46 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 73.14 110.302 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.402 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 7.5 mtt -89.75 -50.67 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 63.33 110.986 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.458 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -166.61 -141.02 3.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 75.45 111.023 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.46 132.91 15.62 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.11 109.279 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.45 11.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 72.4 111.057 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 72.24 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 29.7 t -99.69 4.87 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.03 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 371' ' ' MET . 19.1 mt -110.54 -2.84 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 74.42 109.32 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -78.01 -47.96 2.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 71.52 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.04 -5.77 17.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 71.53 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -99.38 -32.03 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.2 110.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 8.5 mt -66.08 -71.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 74.34 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . 0.409 ' N ' HG21 ' A' ' 391' ' ' ILE . . . -47.77 -24.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 54.33 109.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 7.8 tt0 -72.91 -40.59 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.22 110.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 391' ' ' ILE . 89.5 m -75.9 -46.42 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 72.43 110.39 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.86 -53.37 58.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.42 109.316 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 11.4 t -63.73 -23.19 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 71.51 110.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 58.5 m-20 -84.76 -20.63 30.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 73.21 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.461 ' CD1' ' CB ' ' A' ' 365' ' ' ARG . 38.2 mt -79.57 -47.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 75.25 109.244 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.79 -36.08 81.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 74.33 110.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -79.97 -7.16 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 71.55 110.299 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 358' ' ' LEU . 3.6 mt -96.77 -75.13 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 72.01 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -40.21 -42.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 73.34 109.289 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -51.61 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 74.42 109.338 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.7 mm-40 -64.03 -32.05 73.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.458 HG13 ' CD2' ' A' ' 351' ' ' LEU . 3.0 t -76.94 -5.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 73.13 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -99.29 -58.01 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.13 110.287 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -43.04 -44.94 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 74.42 109.3 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 350' ' ' GLN . 8.4 m-85 -61.51 -56.8 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 72.44 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.51 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 5.2 mt-10 -53.91 -21.61 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.21 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.49 -20.73 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 72.24 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.18 -38.87 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 71.03 108.028 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -39.73 -44.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 75.32 109.33 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 417' ' ' SER . . . -78.84 -40.9 31.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 73.51 109.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.8 mm-40 -62.16 -16.07 50.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 74.2 110.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.14 -68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.54 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 419' ' ' VAL . 8.8 mt-10 -42.36 -50.12 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 61.44 110.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 413' ' ' ALA . 38.8 t -42.52 -53.99 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.03 110.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -53.29 -35.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 74.51 110.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.549 ' CG2' ' NH2' ' A' ' 344' ' ' ARG . 35.0 t -70.64 -57.79 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 75.1 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 419' ' ' VAL . 60.1 mt -40.29 -54.21 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 73.34 109.342 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.7 m -167.7 97.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.34 109.988 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . 0.469 ' H ' ' ND2' ' A' ' 422' ' ' ASN . 0.9 OUTLIER -57.55 165.81 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 75.51 109.304 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -80.78 -177.52 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 75.53 110.344 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 178.0 -73.68 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 71.14 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.536 0.786 . . . . 65.23 109.316 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . 0.406 ' N ' ' HD3' ' A' ' 329' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.0 -0.84 . . . . 70.42 111.0 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 328' ' ' GLY . 18.2 Cg_endo -75.03 -76.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 65.55 111.035 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -148.69 177.05 9.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.33 109.607 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 17.2 mtp -106.95 151.38 25.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 74.35 110.996 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 4.4 t -88.4 -172.06 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 72.25 110.421 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -100.65 -61.4 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 64.52 110.251 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -110.36 136.18 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 73.04 109.343 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 335' ' ' PHE . 0.2 OUTLIER -127.49 16.14 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 70.21 111.046 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 8.18 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.2 109.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -117.57 -6.66 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 74.44 109.594 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 338' ' ' LEU . 0.1 OUTLIER -79.03 170.95 13.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.33 109.318 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.37 14.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 71.53 111.05 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.27 9.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.811 . . . . 75.32 111.021 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -96.62 -25.49 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.24 110.322 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 345' ' ' LYS . 29.2 mm100 -97.65 -44.98 6.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 72.22 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -42.91 -39.34 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 62.43 110.265 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.464 ' CD ' ' HG2' ' A' ' 416' ' ' GLU . 0.4 OUTLIER -76.45 -36.25 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 73.12 110.332 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.0 tppt? -54.16 -30.37 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 75.25 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.512 ' CD ' ' CB ' ' A' ' 335' ' ' PHE . 5.3 mtp85 -77.23 -37.39 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 72.3 110.248 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' A' ' 411' ' ' TRP . 46.5 mt -54.47 -55.04 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 74.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.451 ' CG ' HD11 ' A' ' 412' ' ' LEU . 31.8 mt-30 -45.14 -38.83 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 60.24 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -70.88 -54.46 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 75.21 110.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.41 -13.77 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 72.35 110.352 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' A' ' 405' ' ' VAL . 2.2 tt -72.0 -58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.24 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.37 -27.69 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 70.3 110.285 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.27 -62.07 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.32 110.331 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.443 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 3.6 tpt180 -48.63 -37.2 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.13 110.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.7 t -70.48 -46.98 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -45.86 -34.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.41 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 361' ' ' GLU . 3.6 mm-40 -90.07 -34.28 15.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 74.52 110.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.48 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.6 OUTLIER -53.51 -51.75 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.02 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 40.8 tp60 -63.07 -29.87 71.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 73.4 110.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -65.97 -53.8 34.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.52 109.327 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -64.54 -39.28 93.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 74.14 110.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 398' ' ' ILE . 1.6 t -76.27 -19.63 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 72.13 109.315 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.7 OUTLIER -76.38 -26.4 55.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.01 109.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 367' ' ' ALA . 4.4 pt20 -104.91 -24.65 12.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 65.22 110.273 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -45.47 -36.84 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.53 110.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.3 pt-20 -91.84 -22.57 20.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 72.21 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 370' ' ' LYS . . . -78.4 -18.6 54.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.12 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 7.1 mt -57.91 -57.08 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 74.24 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -48.48 -34.25 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.35 109.274 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 10.3 mtmm -76.71 -36.83 56.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 62.43 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.499 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 50.0 mmm -61.68 -11.9 13.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.11 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.436 ' CE ' HD12 ' A' ' 391' ' ' ILE . 21.0 mtpt -91.55 -56.42 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 75.32 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 20.5 t0 -50.74 -40.68 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 74.35 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.563 HG22 ' CD1' ' A' ' 375' ' ' TYR . 10.8 m -52.05 -35.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 75.33 109.269 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.563 ' CD1' HG22 ' A' ' 374' ' ' VAL . 21.1 m-30 -89.23 -31.07 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 74.42 111.069 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.21 -28.48 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 74.21 110.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.3 OUTLIER -113.7 -34.35 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 74.23 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.457 ' O ' ' CG ' ' A' ' 381' ' ' MET . 6.5 m -131.69 67.59 79.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 72.33 110.413 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.0 1.33 7.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 64.13 111.015 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -72.9 -3.8 28.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 74.22 110.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.64 -4.55 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 64.53 110.975 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.91 170.19 32.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 44.51 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.42 142.75 31.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 74.01 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.38 11.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 64.44 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.54 -14.33 57.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.23 109.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.8 m -101.02 8.95 42.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.31 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 375' ' ' TYR . 87.8 mt -115.35 -1.28 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 73.14 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.27 -47.86 2.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.21 110.342 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.94 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 74.02 111.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -99.45 -34.41 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 70.5 110.34 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 20.8 mt -60.46 -60.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.31 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.01 -16.54 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 61.34 109.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.87 -34.52 24.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 53.33 110.292 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 16.0 m -77.11 -42.71 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.52 110.356 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . 0.406 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.4 mm? -64.01 -44.15 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 74.04 109.29 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' SER . . . . . 0.405 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 16.2 m -74.16 -19.72 60.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 72.12 110.023 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.484 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 35.5 m-20 -87.25 -16.04 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 73.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 362' ' ' VAL . 20.0 mt -87.62 -44.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 74.34 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.491 ' O ' ' CD2' ' A' ' 403' ' ' LEU . 0.1 OUTLIER -68.37 -23.06 64.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.04 110.298 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.6 ptm180 -88.95 -37.85 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 73.11 110.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 2.7 mt -67.96 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.21 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 358' ' ' LEU . 10.6 ptmt -48.07 -42.47 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.41 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 399' ' ' GLU . 2.9 mm? -58.09 -47.92 81.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 65.11 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.603 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 60.3 mm-40 -60.91 -29.13 69.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 72.22 110.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 351' ' ' LEU . 2.2 t -90.81 -4.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -98.65 -13.25 20.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 73.11 110.306 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -91.69 -41.21 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.11 109.285 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 20.1 m-85 -61.03 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 75.01 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.429 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 4.7 mt-10 -54.1 -19.96 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.53 110.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.55 -21.23 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 71.11 109.274 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.63 -40.34 63.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 72.41 107.996 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -39.84 -43.2 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 72.25 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.97 -39.63 29.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.11 109.347 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.2 mm-40 -63.84 -15.45 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.32 110.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.77 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.01 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.464 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 3.2 mt-10 -38.82 -46.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.22 110.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 27.4 t -43.22 -49.63 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.24 109.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -57.09 -37.01 71.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 71.34 110.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 416' ' ' GLU . 40.3 t -66.46 -59.11 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.44 109.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.14 -34.17 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 73.42 109.264 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 26.4 t -68.83 -52.2 32.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 74.44 109.991 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 423' ' ' ARG . 78.1 m-20 -73.11 72.41 1.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 64.45 109.267 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 422' ' ' ASN . 78.9 mtp180 37.47 40.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.4 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -81.83 5.5 70.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 73.44 111.007 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 74.14 109.312 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.967 -0.853 . . . . 74.24 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.51 1.795 . . . . 73.34 111.035 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.12 -175.45 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.14 109.598 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 14.0 ptm -117.12 172.77 7.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 74.51 110.961 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 2.2 p -62.54 -174.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 73.24 110.379 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -126.43 -151.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.32 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.88 102.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.14 109.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 346' ' ' ARG . 43.5 p90 -101.2 11.67 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 71.23 111.012 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 41.3 m -103.84 19.94 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 74.01 109.975 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -134.88 10.42 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 73.42 109.597 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 343' ' ' GLN . 0.3 OUTLIER -117.95 164.9 17.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.33 109.304 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 74.42 111.023 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.421 ' CB ' ' CB ' ' A' ' 415' ' ' ALA . 18.4 Cg_endo -74.91 1.12 8.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 74.35 111.055 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -81.33 -50.43 9.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 72.13 110.289 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.471 ' NE2' ' CD2' ' A' ' 338' ' ' LEU . 0.0 OUTLIER -98.13 -4.37 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 73.34 110.297 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 338' ' ' LEU . 50.4 tt0 -89.18 -35.06 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 75.22 110.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.498 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.0 ptm180 -70.01 -6.09 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.21 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -77.2 -44.95 28.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.32 109.271 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 335' ' ' PHE . 7.4 ptm180 -69.52 -34.89 74.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 72.11 110.323 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.13 -71.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 75.34 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.424 ' CG ' HD11 ' A' ' 412' ' ' LEU . 44.1 mt-30 -41.03 -46.52 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.32 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 351' ' ' LEU . 37.4 mt-30 -57.36 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.5 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -44.96 -25.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 74.11 110.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.448 ' CD2' HG12 ' A' ' 405' ' ' VAL . 1.7 tt -58.26 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 64.05 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.76 -46.41 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 71.35 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -57.86 -39.35 77.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.25 110.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.469 ' CG ' HG22 ' A' ' 405' ' ' VAL . 3.3 tpt180 -67.62 -27.74 67.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 75.3 110.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 35.8 t -94.62 -5.89 44.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 74.01 109.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -85.95 -28.13 24.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 74.52 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.07 -18.04 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.23 110.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.496 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 2.3 tt -64.74 -60.49 3.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 74.52 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 53.8 tp60 -49.45 -26.14 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 72.24 110.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -66.7 -49.15 67.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 73.45 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.423 ' N ' ' OE2' ' A' ' 361' ' ' GLU . 0.6 OUTLIER -68.71 -42.05 78.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 70.41 110.329 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.446 ' CG2' HG12 ' A' ' 398' ' ' ILE . 2.3 t -72.93 -24.15 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 64.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.5 OUTLIER -65.98 -33.94 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.1 109.285 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 367' ' ' ALA . 9.0 pt20 -104.03 -18.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 72.15 110.3 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.409 ' CB ' ' HA ' ' A' ' 362' ' ' VAL . 0.0 OUTLIER -40.66 -44.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 73.51 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.72 -25.37 26.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.13 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -61.17 -40.95 95.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 64.12 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 371' ' ' MET . 5.0 mt -50.58 -54.35 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 63.21 109.325 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -49.54 -24.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 75.21 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 18.6 mtmm -91.24 -31.06 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.31 109.366 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.599 ' O ' ' CE2' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -63.5 -10.39 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 73.22 111.013 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -94.36 -59.03 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.25 109.292 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.5 t70 -47.91 -34.07 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.13 109.331 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 375' ' ' TYR . 18.1 m -60.05 -39.58 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.5 109.287 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.654 ' CE1' ' N ' ' A' ' 382' ' ' GLY . 17.5 m-85 -85.58 -19.89 30.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 70.54 110.981 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.9 -31.15 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 65.31 110.304 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -113.0 -34.4 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.2 109.285 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.425 ' CG2' ' HG2' ' A' ' 380' ' ' GLN . 33.9 m -126.61 86.12 59.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.22 110.396 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.58 8.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 75.21 111.046 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . 0.425 ' HG2' ' CG2' ' A' ' 378' ' ' THR . 1.1 pt20 -79.0 2.41 20.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 71.34 110.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 9.9 mtm -103.17 -47.87 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 74.31 111.022 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.654 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -176.19 -157.68 17.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 75.12 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.503 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 33.2 m-20 -122.0 141.3 33.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.58 9.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 73.11 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -73.79 -4.58 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.34 109.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 27.0 t -97.78 7.18 46.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.5 109.992 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.495 ' O ' ' CG1' ' A' ' 391' ' ' ILE . 1.4 mt -115.9 -0.34 12.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 75.11 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.6 OUTLIER -74.05 -45.93 6.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 75.53 110.318 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.56 21.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 72.13 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -99.49 -33.28 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 75.23 110.304 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 11.2 mt -64.78 -59.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 64.52 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.09 -17.02 22.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 71.22 109.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.66 -35.25 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 64.11 110.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.4 m -70.28 -42.92 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.31 110.391 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.41 -54.61 41.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 73.01 109.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' SER . . . . . 0.417 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 1.1 m -64.44 -19.44 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.11 109.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.481 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 68.7 m-20 -91.84 -12.21 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 62.51 109.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.446 HG12 ' CG2' ' A' ' 362' ' ' VAL . 15.7 mt -93.7 -34.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 72.12 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.417 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.3 OUTLIER -79.73 -23.15 42.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 75.14 110.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.5 ptm180 -91.45 -7.14 51.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 75.45 110.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 9.2 mt -96.65 -61.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 63.34 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.446 ' HG3' ' CD2' ' A' ' 403' ' ' LEU . 7.8 ptmm? -53.64 -52.85 58.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 75.32 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.32 -51.41 11.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 70.21 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 72.5 mm-40 -61.83 -32.51 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.21 110.33 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.469 HG22 ' CG ' ' A' ' 354' ' ' ARG . 11.2 t -77.69 -5.1 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 70.41 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.26 -58.0 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 73.31 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.84 -44.95 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 74.44 109.287 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 12.5 m-85 -60.7 -60.51 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.3 110.983 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.405 ' N ' HD11 ' A' ' 351' ' ' LEU . 6.8 mt-10 -54.1 -19.22 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 71.02 110.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.5 -20.96 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 73.41 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -74.72 -40.9 61.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 75.13 108.037 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.424 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.0 mm? -39.43 -42.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.3 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.76 -40.97 24.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.21 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.446 ' O ' ' NE ' ' A' ' 418' ' ' ARG . 0.8 OUTLIER -62.22 -15.85 49.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.54 110.339 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.88 -65.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 72.24 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.498 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.5 mt-10 -40.28 -49.72 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 75.12 110.349 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.9 t -39.21 -51.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.51 110.015 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 2.9 mpt_? -71.49 -47.75 53.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.42 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 422' ' ' ASN . 57.8 t -40.68 -66.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 71.01 109.272 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 mt -42.53 -37.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 75.52 109.295 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 418' ' ' ARG . 1.1 m -66.68 -45.67 78.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 72.24 109.995 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 419' ' ' VAL . 1.9 p30 -118.24 99.49 6.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 74.44 109.341 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -133.72 142.92 48.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 73.45 110.273 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.88 -6.11 40.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 63.21 111.034 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 74.25 109.345 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 60.21 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.85 5.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 70.14 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.96 163.59 12.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 62.44 109.565 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 332' ' ' THR . 5.8 tmm? -101.89 150.32 23.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.51 111.017 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' THR . . . . . 0.47 HG21 ' CE1' ' A' ' 335' ' ' PHE . 1.3 t -73.75 -177.59 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 73.24 110.398 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 334' ' ' ASP . 13.6 mp0 -151.41 117.55 5.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 71.42 110.301 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 333' ' ' GLU . 1.7 m-20 75.58 65.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 75.21 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 346' ' ' ARG . 19.0 m-85 -52.72 -24.3 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 75.12 111.027 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 14.3 p -73.58 -31.52 63.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 71.24 110.023 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -66.9 -10.34 47.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 74.21 109.627 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 335' ' ' PHE . 13.1 mt -78.14 158.03 77.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 73.43 109.29 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 173.9 13.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 73.1 111.005 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.416 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.2 Cg_endo -75.07 0.69 8.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 73.33 110.977 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -97.4 -31.97 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -98.05 -23.3 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.02 110.298 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -57.9 -33.97 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 75.5 110.312 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.495 ' NH2' ' NE2' ' A' ' 348' ' ' GLN . 6.7 ptm180 -86.74 -6.11 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 75.12 110.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.551 ' HZ3' ' NE2' ' A' ' 349' ' ' GLN . 4.0 tptt -82.71 -23.12 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.14 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 335' ' ' PHE . 18.8 ptt180 -86.8 -35.93 18.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 73.01 110.297 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 408' ' ' TYR . 35.6 mt -55.08 -58.93 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 65.11 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.495 ' NE2' ' NH2' ' A' ' 344' ' ' ARG . 77.6 mt-30 -38.93 -61.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 75.32 110.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.551 ' NE2' ' HZ3' ' A' ' 345' ' ' LYS . 2.4 mp0 -53.72 -61.51 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 64.11 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 350' ' ' GLN . 12.8 mm-40 -51.95 -20.76 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.516 ' CD1' ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -70.49 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 72.15 109.328 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -52.95 -20.25 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 74.21 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 356' ' ' ARG . 5.1 mm-40 -78.26 -69.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 74.21 110.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.455 ' CB ' HG22 ' A' ' 405' ' ' VAL . 8.6 mmt-85 -44.79 -26.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.42 110.25 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.465 ' CA ' HG21 ' A' ' 405' ' ' VAL . 1.8 p -85.13 -39.93 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 63.44 109.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 353' ' ' GLU . 13.3 mtp180 -61.26 -41.03 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.11 110.284 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' A' ' 401' ' ' LEU . 2.9 pt-20 -82.33 1.92 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 71.42 110.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.8 OUTLIER -86.97 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.03 109.277 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 56.2 tp60 -51.13 -21.55 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 71.15 110.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -65.21 -55.98 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.13 109.308 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -68.28 -33.32 74.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 71.32 110.319 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.444 HG21 ' CD2' ' A' ' 358' ' ' LEU . 2.6 t -78.67 -18.07 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.22 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -79.71 -28.69 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 75.03 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.3 pt20 -103.23 -22.58 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.44 110.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.5 OUTLIER -39.01 -62.92 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 71.44 110.275 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.68 -21.53 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 75.15 110.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.469 ' HB3' ' CE ' ' A' ' 370' ' ' LYS . . . -67.62 -35.11 78.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.34 109.348 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 17.0 mt -50.67 -44.05 57.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.05 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -54.27 -38.9 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 71.3 109.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' A' ' 367' ' ' ALA . 0.1 OUTLIER -70.05 -36.31 74.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 74.12 109.259 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' MET . . . . . . . . . . . . . 56.6 mmm -63.33 -10.79 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 65.51 110.989 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.545 ' NZ ' ' CD1' ' A' ' 391' ' ' ILE . 14.6 mtpt -89.9 -55.33 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 75.03 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.34 -41.38 60.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 71.25 109.306 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 375' ' ' TYR . 6.1 m -51.42 -34.3 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.2 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.566 ' CE1' HG23 ' A' ' 374' ' ' VAL . 18.6 m-30 -91.28 -24.94 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 74.43 111.016 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.48 -27.72 68.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 72.42 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.9 -36.4 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 75.03 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 380' ' ' GLN . 3.5 m -125.98 85.78 58.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 72.32 110.448 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.471 1.774 . . . . 70.44 110.987 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . 0.461 ' CG ' HG23 ' A' ' 378' ' ' THR . 2.6 pt20 -81.41 1.2 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 61.23 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.442 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 7.0 mtt -94.9 -48.99 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 73.32 111.013 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.87 -151.27 7.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.16 . . . . 72.01 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.99 134.0 25.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 73.54 109.335 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.55 9.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.789 . . . . 74.2 110.985 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.35 -18.92 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.35 109.295 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 8.1 t -92.22 7.25 43.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 60.55 110.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 94.5 mt -108.71 -12.73 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 75.34 109.262 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -69.87 -46.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 72.34 110.271 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.792 . . . . 74.52 110.988 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -99.57 -36.56 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 74.12 110.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.545 ' CD1' ' NZ ' ' A' ' 372' ' ' LYS . 20.9 mt -65.53 -58.71 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 74.04 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.56 -15.84 31.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 51.22 109.35 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -83.18 -33.86 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.4 110.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 398' ' ' ILE . 3.1 m -66.28 -47.56 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 72.52 110.422 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.51 -55.46 34.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.23 109.306 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -28.04 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 71.14 110.037 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.471 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 92.9 m-20 -86.12 -13.95 45.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 75.24 109.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 394' ' ' THR . 18.2 mt -88.16 -37.99 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 75.44 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 403' ' ' LEU . 0.5 OUTLIER -76.45 -20.51 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 72.02 110.304 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.471 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.7 ptm180 -90.37 -8.05 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 74.12 110.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 357' ' ' GLU . 7.7 mt -96.8 -63.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 71.12 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -51.7 -42.95 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.1 109.288 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.402 ' CG ' ' O ' ' A' ' 399' ' ' GLU . 0.6 OUTLIER -51.91 -49.66 62.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 71.34 109.304 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.6 mm-40 -66.35 -30.66 71.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 63.11 110.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.465 HG21 ' CA ' ' A' ' 355' ' ' SER . 3.4 t -77.03 -5.17 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.44 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -99.17 -58.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 71.25 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -42.67 -45.42 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 74.24 109.29 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.523 ' CD1' HD23 ' A' ' 347' ' ' LEU . 8.4 m-85 -61.54 -57.18 13.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 74.43 111.002 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.516 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 7.1 mt-10 -54.72 -20.97 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.45 110.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.45 -20.24 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 74.35 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.64 -39.89 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.966 -1.124 . . . . 74.35 107.966 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 412' ' ' LEU . 3.8 mm? -40.06 -42.76 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 75.31 109.309 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -39.41 28.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 72.4 109.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -63.99 -15.68 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.13 110.29 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.87 -61.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 64.24 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.47 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 27.6 mt-10 -38.68 -41.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 72.33 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -51.63 26.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 74.43 109.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -54.76 -33.07 60.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 74.41 110.25 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 54.9 t -73.38 -67.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 64.42 109.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 14.3 mt -40.63 -58.71 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 73.51 109.283 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 10.9 t -50.1 -52.89 31.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 74.52 109.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -70.66 93.24 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 72.22 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -115.58 162.5 17.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 72.31 110.298 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -106.25 76.29 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 64.43 111.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 70.53 109.293 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.952 -0.859 . . . . 73.32 110.952 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.83 40.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 72.11 110.997 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -139.82 169.3 17.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 75.31 109.586 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 35.6 mtp -143.25 144.17 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 73.45 110.976 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 27.8 p -83.69 -172.7 4.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 70.2 110.422 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -102.29 -20.69 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 63.24 110.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -169.07 118.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 72.44 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.533 ' CD1' ' HD3' ' A' ' 346' ' ' ARG . 7.0 m-85 -86.26 43.94 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 74.3 111.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 4.8 t -112.87 9.04 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 73.2 109.992 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -110.82 -10.47 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 74.22 109.579 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.409 HD13 ' NH1' ' A' ' 346' ' ' ARG . 0.1 OUTLIER -103.1 169.51 7.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 75.33 109.333 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 75.12 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.467 ' O ' ' NH1' ' A' ' 344' ' ' ARG . 18.2 Cg_endo -75.05 -32.44 5.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 74.43 111.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.57 -28.64 67.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 71.04 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -28.27 13.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.14 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.48 -61.63 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.13 110.244 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.49 ' NH1' ' CG2' ' A' ' 419' ' ' VAL . 2.2 ptp85 -62.96 -16.2 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 75.42 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -30.56 64.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 75.34 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.533 ' HD3' ' CD1' ' A' ' 335' ' ' PHE . 6.0 mtt85 -73.81 -48.24 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.04 110.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 408' ' ' TYR . 18.5 mt -40.2 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.21 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.416 ' NE2' HD12 ' A' ' 412' ' ' LEU . 26.5 mt-30 -38.48 -58.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.52 110.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -50.93 -67.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 72.43 110.296 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -51.23 -21.24 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 73.2 110.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 405' ' ' VAL . 0.6 OUTLIER -72.91 -42.87 63.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 75.31 109.254 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -67.26 -15.85 63.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.44 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 356' ' ' ARG . 13.2 mt-10 -84.98 -60.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.24 110.346 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.471 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 36.8 mmt-85 -40.16 -42.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.53 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.0 t -68.95 -43.16 75.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 74.11 110.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 353' ' ' GLU . 5.5 mmm180 -54.13 -37.87 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 72.2 110.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 2.0 mm-40 -85.19 -34.78 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 72.42 110.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 361' ' ' GLU . 0.4 OUTLIER -62.3 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 74.42 109.301 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 4.2 tp60 -38.79 -32.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.13 110.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . 0.459 ' NZ ' ' CB ' ' A' ' 360' ' ' LYS . 6.1 mtpm? -70.63 -52.96 17.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 73.42 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 358' ' ' LEU . 7.5 mm-40 -58.05 -46.71 84.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.21 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' A' ' 358' ' ' LEU . 2.2 t -70.48 -34.81 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 74.12 109.283 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.9 OUTLIER -58.42 -37.94 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 61.44 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 367' ' ' ALA . 5.4 pt20 -93.71 -23.85 18.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 74.21 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.61 -47.48 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 72.21 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -86.31 -22.94 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.33 110.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -72.75 -19.87 61.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 73.43 109.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 9.6 mt -58.92 -58.35 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.45 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . 0.447 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 4.6 mtmp? -48.33 -36.4 14.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 72.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.465 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 11.2 mtpp -68.06 -38.61 82.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 74.23 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.457 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 60.8 mmm -65.45 -9.11 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.22 111.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 3.9 mtpm? -91.93 -57.79 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.51 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.32 -40.42 35.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.33 109.351 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 375' ' ' TYR . 10.7 m -53.42 -36.57 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 74.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.566 ' CE1' ' HA3' ' A' ' 382' ' ' GLY . 19.1 m-30 -87.11 -30.54 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 74.23 111.031 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.9 -28.17 63.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 75.42 110.315 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 -34.81 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 74.2 109.335 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.6 m -132.47 69.29 79.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 73.32 110.419 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.2 Cg_endo -75.04 1.07 8.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 74.23 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -72.4 -3.96 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 64.2 110.308 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.25 -4.21 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 75.11 110.981 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 179.57 41.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 53.53 111.005 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.25 143.05 47.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 73.21 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 73.55 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.68 -13.03 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 65.41 109.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 96.2 p -101.04 8.96 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 63.31 110.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 391' ' ' ILE . 15.6 mt -116.86 -1.7 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 75.11 109.242 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 5.7 mm-40 -78.66 -43.69 1.93 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 65.02 110.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.0 -20.39 16.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 74.52 111.007 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -89.45 -34.4 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.03 110.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 12.3 mt -60.17 -57.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 74.14 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.88 47.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 74.54 109.289 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 7.3 tt0 -86.88 -32.7 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.33 110.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 2.3 m -70.61 -33.69 71.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 75.44 110.378 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.67 -60.94 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.43 109.335 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' SER . . . . . 0.457 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 0.2 OUTLIER -59.29 -25.93 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.51 110.022 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.468 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 81.6 m-20 -83.89 -17.66 40.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.42 109.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 394' ' ' THR . 9.3 mt -86.81 -46.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.14 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.5 OUTLIER -67.1 -35.62 80.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 74.25 110.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.3 ptm180 -72.19 -9.71 58.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.44 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . . . . . . . . . 2.8 mt -96.8 -65.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 75.41 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 405' ' ' VAL . 13.0 ptpt -45.77 -54.38 8.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 71.11 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.414 ' HA ' ' NE2' ' A' ' 406' ' ' GLN . 1.0 OUTLIER -43.0 -51.06 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.11 109.275 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 54.1 mm-40 -64.37 -33.33 75.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 75.33 110.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.481 ' HA ' ' CD2' ' A' ' 351' ' ' LEU . 38.1 t -74.48 -5.9 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 71.02 109.313 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 403' ' ' LEU . 0.8 OUTLIER -99.17 -57.92 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 75.42 110.319 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.6 OUTLIER -45.53 -44.41 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 72.23 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.561 ' CD1' HD21 ' A' ' 347' ' ' LEU . 5.6 m-85 -63.21 -59.05 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.13 111.018 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -53.48 -19.83 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 72.32 110.271 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.46 -24.9 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.42 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -69.3 -40.27 77.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.973 -1.121 . . . . 74.51 107.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 348' ' ' GLN . 2.9 mm? -40.43 -42.79 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 75.12 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.53 -38.43 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 65.12 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 63.21 110.265 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.7 -58.2 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 65.1 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.422 ' HA ' ' NH2' ' A' ' 344' ' ' ARG . 15.7 mt-10 -43.29 -27.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 60.44 110.284 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 415' ' ' ALA . 6.4 t -52.72 -46.86 67.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.45 109.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -56.0 -44.94 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 75.34 110.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.49 ' CG2' ' NH1' ' A' ' 344' ' ' ARG . 14.9 t -58.6 -68.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.21 109.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.6 mt -40.28 -51.15 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 64.4 109.305 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 29.1 t -50.42 -57.86 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 74.53 109.988 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -67.36 136.09 54.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 74.13 109.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -138.43 128.11 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 75.33 110.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -99.97 -22.89 11.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 63.13 110.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 75.35 109.324 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.968 -0.853 . . . . 74.23 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.58 11.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.755 . . . . 73.33 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -110.06 139.36 45.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 74.13 109.617 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 9.2 tpt -117.91 151.01 38.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 74.23 110.969 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 2.4 p -141.19 167.62 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 73.41 110.392 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -121.19 -50.23 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 71.21 110.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -103.44 16.39 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 75.31 109.287 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.426 ' CG ' ' HD3' ' A' ' 346' ' ' ARG . 21.5 m-85 38.77 47.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 74.22 110.985 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 6.3 t -104.34 -19.85 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 54.35 110.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -71.4 -13.06 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 75.51 109.593 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.31 164.97 14.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 73.5 109.27 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.4 14.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 73.31 111.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.424 ' HB2' ' CG2' ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.03 -0.22 9.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.493 1.786 . . . . 64.23 111.033 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -95.32 -38.92 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 74.11 110.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.86 -5.32 34.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 62.35 110.301 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -89.84 -37.26 14.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 70.53 110.311 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.78 -19.2 57.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 73.33 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.65 81.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 74.11 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.426 ' HD3' ' CG ' ' A' ' 335' ' ' PHE . 20.8 mtp85 -59.15 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 74.41 110.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 351' ' ' LEU . 8.1 mt -40.3 -62.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 73.15 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.52 -43.24 71.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 70.05 110.351 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 351' ' ' LEU . 11.0 mt-30 -61.7 -76.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.45 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 346' ' ' ARG . 38.8 mm-40 -45.3 -25.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 74.32 110.3 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 405' ' ' VAL . 17.7 tp -66.84 -48.9 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 75.54 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 7.0 tt0 -66.2 -16.23 63.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 70.35 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -92.27 -35.47 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.23 110.318 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.46 ' CG ' HG22 ' A' ' 405' ' ' VAL . 4.9 tpt180 -73.83 -45.55 50.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.34 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.4 p -70.57 -6.48 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 72.53 109.971 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 2.0 mmm180 -88.02 -56.17 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.03 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -5.86 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 73.21 110.263 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 358' ' ' LEU . 0.3 OUTLIER -90.39 -40.12 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 75.51 109.295 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.443 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 39.7 tp60 -63.96 -13.89 49.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 74.44 110.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -93.15 -10.68 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.21 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 365' ' ' ARG . 75.3 mm-40 -103.45 -40.84 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.44 110.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.426 HG23 ' CD2' ' A' ' 358' ' ' LEU . 2.5 t -76.77 -34.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 63.43 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 5.5 t70 -61.08 -30.59 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 63.32 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 367' ' ' ALA . 5.7 pt20 -104.69 -21.79 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 75.35 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.455 ' HB2' ' CD1' ' A' ' 398' ' ' ILE . 0.6 OUTLIER -37.6 -49.55 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 75.43 110.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -33.46 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 72.1 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -53.05 -45.69 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 74.41 109.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 371' ' ' MET . 3.6 mt -48.59 -65.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 74.53 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -51.38 -22.31 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 74.44 109.332 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -33.44 29.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 73.53 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.457 ' HE3' ' CZ ' ' A' ' 375' ' ' TYR . 68.3 mmm -70.19 -7.02 38.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 71.25 111.031 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 376' ' ' GLU . 16.0 mttt -86.82 -59.09 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.42 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -48.85 -47.35 42.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.31 109.313 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.564 HG22 ' CD1' ' A' ' 375' ' ' TYR . 19.3 m -55.34 -38.46 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 73.44 109.249 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.564 ' CD1' HG22 ' A' ' 374' ' ' VAL . 12.6 m-30 -84.63 -15.59 44.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 75.23 111.012 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.3 mm-40 -76.47 -33.83 58.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.41 110.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -38.13 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.13 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.439 ' HB ' ' CE ' ' A' ' 381' ' ' MET . 7.4 m -119.76 82.49 27.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 74.31 110.384 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 73.32 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . 0.4 ' NE2' HG22 ' A' ' 378' ' ' THR . 1.2 pt20 -78.25 -0.33 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 75.44 110.247 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.439 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 9.7 mtt -95.83 -49.22 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 53.41 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -172.39 -163.1 25.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 74.32 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.88 132.6 22.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.77 . . . . 74.13 109.308 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.54 11.82 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 73.25 110.975 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.11 -14.12 59.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.04 109.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 t -96.49 6.09 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 75.12 110.019 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 21.1 mt -108.14 -6.71 16.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 74.15 109.256 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.8 mt-10 -75.73 -47.14 4.04 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 72.22 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.99 -7.53 19.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 73.41 111.062 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -99.03 -34.77 10.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.24 110.282 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 27.9 mt -66.44 -58.41 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 75.4 109.288 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.74 -16.57 28.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 74.34 109.313 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.406 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 14.4 tt0 -83.89 -34.72 24.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.41 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 7.2 m -85.64 -24.7 26.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 72.43 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.04 -55.84 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.03 109.263 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 1.7 t -64.66 -16.96 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 73.42 109.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.47 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 55.7 m-20 -90.51 -17.61 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.24 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 394' ' ' THR . 9.3 mt -84.6 -44.2 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 71.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.97 -22.07 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 73.11 110.338 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptm180 -95.36 -8.78 34.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 74.14 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . . . . . . . . . 2.4 mt -96.78 -75.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.35 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -40.37 -49.51 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 62.04 109.312 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -46.97 -53.71 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 74.11 109.334 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.503 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.0 mm-40 -64.5 -30.85 71.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 75.25 110.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 351' ' ' LEU . 12.1 t -77.51 -5.57 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 74.35 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -99.01 -58.04 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 74.13 110.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 6.4 ptpt -42.23 -43.66 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 75.43 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.5 m-85 -61.85 -58.82 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 73.43 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -52.68 -21.02 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.31 110.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.41 -22.15 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 75.32 109.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.5 m0 -72.55 -38.85 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.04 108.012 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -40.12 -44.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.43 109.271 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.81 35.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.21 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.87 -15.14 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 72.12 110.304 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -63.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.4 109.329 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 419' ' ' VAL . 78.6 mt-10 -41.79 -37.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 72.25 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 t -40.01 -46.72 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 73.13 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -58.67 -46.79 86.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 75.13 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 340' ' ' PRO . 23.3 t -55.17 -67.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 75.11 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.8 mt -40.95 -54.89 2.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 72.44 109.258 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 422' ' ' ASN . 4.4 p -47.56 -60.8 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 75.24 109.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . 0.42 ' N ' ' OG ' ' A' ' 421' ' ' SER . 47.9 m-80 -60.54 129.88 43.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.2 109.312 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.499 ' H ' ' NE ' ' A' ' 423' ' ' ARG . 0.2 OUTLIER -72.45 -173.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 75.23 110.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 423' ' ' ARG . . . -176.19 58.51 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 73.1 111.034 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 73.02 109.295 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.83 . . . . 74.42 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -77.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 72.24 111.004 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -124.42 -173.38 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 63.44 109.575 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 332' ' ' THR . 15.7 tpt -133.16 154.03 50.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 71.55 110.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 333' ' ' GLU . 5.1 t -60.09 -148.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.21 110.394 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . 0.542 ' N ' ' CG2' ' A' ' 332' ' ' THR . 36.8 mt-10 -106.41 103.1 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 75.42 110.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 333' ' ' GLU . 2.8 p-10 -36.31 120.91 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 65.33 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.506 ' HA ' ' CG ' ' A' ' 338' ' ' LEU . 2.2 p90 -77.63 3.91 12.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.2 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 8.5 t -82.58 6.81 16.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 72.52 109.988 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 337' ' ' HIS . 31.7 t-80 -125.98 18.49 7.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 75.13 109.599 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.506 ' CG ' ' HA ' ' A' ' 335' ' ' PHE . 0.0 OUTLIER -133.91 166.04 32.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 73.21 109.312 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.17 21.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 71.35 110.98 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.02 7.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 71.44 110.966 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -82.05 -52.4 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.432 ' NE2' ' NH1' ' A' ' 346' ' ' ARG . 0.0 OUTLIER -93.98 -5.78 46.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.11 110.325 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 335' ' ' PHE . 25.4 tt0 -88.31 -34.4 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 72.05 110.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.506 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.9 ptm180 -65.14 -36.11 83.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.4 110.319 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 344' ' ' ARG . 4.5 ptpt -55.99 -32.66 64.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 75.04 109.299 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.443 ' CD ' ' HB3' ' A' ' 335' ' ' PHE . 3.0 mtp85 -68.96 -43.28 75.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 73.2 110.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 411' ' ' TRP . 29.2 mt -58.61 -75.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.32 109.333 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.04 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 74.24 110.279 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -66.58 -65.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 73.14 110.29 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -64.79 -11.51 37.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 72.3 110.309 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.1 tt -61.81 -61.68 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 72.24 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.3 tt0 -51.16 -21.71 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 72.31 110.261 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 38.1 mm-40 -74.86 -70.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.13 110.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.444 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 3.5 mmt-85 -39.85 -40.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 74.23 110.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 10.8 t -73.78 -43.36 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 71.34 109.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 14.0 mmt180 -54.89 -46.72 74.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.2 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.502 ' CD ' ' CD2' ' A' ' 401' ' ' LEU . 2.9 pt-20 -79.75 3.5 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.13 110.32 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 3.3 tt -85.89 -61.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 75.5 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -61.42 -13.85 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 74.31 110.273 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -84.98 -21.6 29.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 75.43 109.332 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -92.16 -40.57 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.51 110.266 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 398' ' ' ILE . 2.4 t -73.1 -26.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 74.34 109.333 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.82 -28.27 64.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 73.03 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 367' ' ' ALA . 4.5 pt20 -99.95 -24.04 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 65.32 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.501 ' HG3' ' CD1' ' A' ' 398' ' ' ILE . 1.5 mtp-105 -36.57 -66.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 75.32 110.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -66.3 -25.54 66.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 71.3 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -62.09 -38.64 89.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 75.3 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 8.1 mt -55.89 -44.87 78.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.11 109.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -62.85 -23.58 67.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.43 109.264 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -80.14 -35.34 36.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 73.35 109.291 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' MET . . . . . . . . . . . . . 66.1 mmm -66.48 -8.72 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 74.23 110.997 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -88.59 -55.74 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 71.44 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -50.5 -43.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 72.31 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 375' ' ' TYR . 4.9 m -50.95 -33.72 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.34 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.563 ' CE2' HD13 ' A' ' 387' ' ' LEU . 19.6 m-30 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 75.21 110.988 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.3 -25.77 67.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 74.4 110.306 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 -36.69 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 74.42 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.424 ' CG2' ' HG2' ' A' ' 380' ' ' GLN . 11.4 m -129.46 88.27 50.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.41 110.388 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.13 9.28 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 75.43 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . 0.424 ' HG2' ' CG2' ' A' ' 378' ' ' THR . 1.7 pt20 -80.66 1.99 27.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 74.41 110.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 6.6 mtm -95.76 -48.13 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.02 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.536 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -174.35 -164.53 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 73.4 110.961 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.77 135.02 21.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 73.32 109.338 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -23.98 13.23 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.421 1.748 . . . . 73.14 111.016 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.84 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 62.11 109.28 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 1.8 t -97.11 3.47 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 74.22 109.954 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 375' ' ' TYR . 9.0 mt -108.52 -4.88 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 74.11 109.3 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -77.7 -47.67 2.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.51 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 72.4 110.971 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -99.56 -35.1 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 72.1 110.304 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 24.7 mt -64.8 -69.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 71.32 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.08 -23.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 75.53 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -73.01 -40.14 65.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 74.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.3 m -75.02 -25.21 58.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.55 110.4 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.86 -27.64 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.14 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 15.6 t -87.97 -10.33 50.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 74.2 110.018 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -102.12 -45.46 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.13 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.501 ' CD1' ' HG3' ' A' ' 365' ' ' ARG . 12.4 mt -55.05 -37.96 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.42 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 403' ' ' LEU . 0.2 OUTLIER -64.44 -22.47 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 71.31 110.306 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -95.99 -26.83 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.2 110.266 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.502 ' CD2' ' CD ' ' A' ' 357' ' ' GLU . 19.0 mt -67.56 -52.35 39.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 72.15 109.299 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -68.61 -41.98 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.52 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.451 ' CG ' ' O ' ' A' ' 399' ' ' GLU . 0.7 OUTLIER -56.93 -53.98 51.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.32 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.601 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 50.9 mm-40 -62.21 -23.61 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 75.15 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 354' ' ' ARG . 3.3 t -89.33 -5.31 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.41 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -99.2 -13.87 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 63.52 110.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -97.73 -42.0 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 73.43 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.2 m-85 -61.73 -60.04 4.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 72.53 111.05 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.46 ' CG ' HD11 ' A' ' 351' ' ' LEU . 9.7 mt-10 -54.11 -19.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.43 110.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -21.28 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 75.41 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -74.33 -41.29 61.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 74.41 107.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.2 mm? -38.96 -43.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.24 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.99 -41.15 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 65.13 109.236 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.4 mm-40 -62.3 -15.75 49.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 71.4 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.97 -63.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 74.14 109.309 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.506 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.4 mt-10 -38.9 -52.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 74.15 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 39.3 t -48.9 -48.97 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 72.41 110.01 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -60.17 -32.61 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 75.23 110.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.44 -66.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 71.54 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt -42.77 -46.87 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 65.53 109.318 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -41.65 -52.08 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 72.24 109.964 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -86.23 130.2 34.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 61.31 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -97.06 -6.78 34.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 65.21 110.301 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 95.59 -19.32 54.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 72.13 110.966 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 75.31 109.319 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . 0.418 ' N ' ' HD3' ' A' ' 329' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.025 -0.83 . . . . 53.13 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 328' ' ' GLY . 18.3 Cg_endo -75.04 -179.79 5.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 75.55 110.954 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.8 -168.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 72.33 109.587 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' A' ' 331' ' ' MET . 0.3 OUTLIER -126.72 -177.72 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 75.21 111.027 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 13.2 t -61.28 -155.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 74.34 110.369 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -100.96 -71.86 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 73.35 110.34 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -110.88 133.06 53.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 71.23 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 335' ' ' PHE . 0.1 OUTLIER -120.02 19.5 12.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 74.43 110.982 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 33.3 t -98.53 11.66 37.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 74.31 109.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -130.02 22.1 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 74.05 109.584 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 335' ' ' PHE . 0.1 OUTLIER -104.53 169.53 7.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 74.35 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 74.11 110.991 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.468 ' O ' ' NE ' ' A' ' 344' ' ' ARG . 18.2 Cg_endo -75.07 -30.32 7.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 73.45 110.987 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.97 -28.05 66.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 74.21 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.493 ' NE2' ' NZ ' ' A' ' 345' ' ' LYS . 0.0 OUTLIER -97.9 -31.95 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.31 110.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -58.17 -69.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 70.53 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.73 HH12 ' N ' ' A' ' 416' ' ' GLU . 5.5 ptp180 -43.58 -38.45 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 63.21 110.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.493 ' NZ ' ' NE2' ' A' ' 342' ' ' GLN . 1.6 ttpt -52.51 -49.65 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 74.24 109.308 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 347' ' ' LEU . 21.1 mtp85 -71.12 -43.89 66.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.11 110.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 351' ' ' LEU . 53.6 mt -39.19 -51.45 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.31 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.42 ' CG ' HD12 ' A' ' 412' ' ' LEU . 63.4 mt-30 -68.02 -43.62 78.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 73.43 110.337 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.83 -72.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 53.03 110.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 353' ' ' GLU . 38.2 mm-40 -45.51 -41.73 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 72.03 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.53 ' CD1' ' CG1' ' A' ' 405' ' ' VAL . 4.7 tp -45.08 -53.78 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 75.45 109.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 9.0 tt0 -59.3 -29.06 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 73.14 110.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 350' ' ' GLN . 45.6 mm-40 -71.31 -46.2 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 72.33 110.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.472 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 3.7 tpt180 -65.74 -40.65 92.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.34 110.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 3.1 t -78.18 0.61 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 73.33 109.971 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 1.2 mmm180 -97.49 -28.19 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 72.33 110.28 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.464 ' CD ' ' CD2' ' A' ' 401' ' ' LEU . 0.6 OUTLIER -100.8 3.82 42.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 73.12 110.288 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.453 HD12 ' CA ' ' A' ' 402' ' ' LYS . 3.9 tt -80.63 -73.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 72.3 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -43.51 -27.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 73.44 110.256 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -46.4 85.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.33 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 358' ' ' LEU . 24.3 mm-40 -66.1 -43.35 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 63.04 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.464 HG22 ' CZ ' ' A' ' 365' ' ' ARG . 2.4 t -71.72 -20.21 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 71.24 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -25.56 55.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 70.31 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 367' ' ' ALA . 5.2 pt20 -103.2 -23.45 13.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 74.23 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.518 ' HG3' ' CD1' ' A' ' 398' ' ' ILE . 2.9 mtm180 -37.86 -64.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 74.42 110.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.84 -21.99 64.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 74.2 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -65.92 -37.35 85.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 75.54 109.289 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 9.4 mt -55.4 -45.54 76.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 74.41 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -41.39 77.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 75.02 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -66.69 -37.48 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 72.23 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.461 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 63.4 mmm -63.01 -11.21 17.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 75.23 111.018 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -87.31 -55.48 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 73.54 109.296 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.37 -43.74 54.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 74.42 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 375' ' ' TYR . 4.0 m -52.06 -33.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 75.1 109.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.563 ' CE1' ' HA3' ' A' ' 382' ' ' GLY . 19.9 m-30 -90.92 -27.69 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 72.52 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.45 -24.16 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.11 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -38.05 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 70.45 109.342 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.449 ' O ' ' CG ' ' A' ' 381' ' ' MET . 90.6 m -130.88 70.41 82.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 72.23 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.12 8.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 75.31 111.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.91 -4.58 29.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 74.11 110.324 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.32 -5.26 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 73.4 110.966 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.563 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.45 175.51 38.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 73.4 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.432 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 34.4 m-20 -127.15 145.6 54.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 52.53 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -25.77 11.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.412 1.743 . . . . 64.14 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.77 -12.9 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 62.34 109.271 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 95.2 p -100.31 8.9 43.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 71.44 110.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 375' ' ' TYR . 18.6 mt -113.98 -2.31 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.22 109.306 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.2 mt-10 -77.73 -47.62 2.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 75.34 110.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.04 -6.27 17.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 73.23 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -99.58 -32.79 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 74.04 110.305 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 42.1 mt -69.13 -64.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.84 -21.32 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 74.21 109.348 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 27.0 tt0 -75.51 -39.02 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 72.52 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.3 m -76.7 -24.42 53.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 72.2 110.372 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . 0.512 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 4.2 mm? -87.52 -26.44 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 75.03 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 32.8 t -92.63 -18.94 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 72.43 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 393' ' ' GLU . 88.0 m-20 -89.63 -53.32 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 72.21 109.254 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.518 ' CD1' ' HG3' ' A' ' 365' ' ' ARG . 30.9 mt -43.69 -28.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 75.13 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.4 OUTLIER -66.64 -51.88 51.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 62.33 110.284 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 22.5 mtt-85 -61.82 -35.5 78.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 75.24 110.269 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.464 ' CD2' ' CD ' ' A' ' 357' ' ' GLU . 7.9 mt -60.64 -71.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 73.14 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.453 ' CA ' HD12 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -46.02 -59.46 2.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 71.11 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 1.2 mm? -43.44 -52.74 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 74.21 109.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.609 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 39.6 mm-40 -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.43 110.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.53 ' CG1' ' CD1' ' A' ' 351' ' ' LEU . 9.5 t -77.6 -5.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 72.34 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -99.26 -58.03 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 63.52 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.623 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.1 OUTLIER -41.65 -48.21 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.42 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 18.9 m-85 -59.6 -60.13 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 74.22 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.419 ' CG ' ' CD2' ' A' ' 351' ' ' LEU . 6.3 mt-10 -54.44 -19.08 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.44 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.61 -21.23 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 73.05 109.325 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.3 m0 -75.39 -38.91 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 71.42 107.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 412' ' ' LEU . 3.8 mm? -40.15 -40.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.11 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -83.5 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.32 109.334 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.9 mm-40 -57.02 -17.24 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 73.34 110.276 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.81 -56.02 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 71.01 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.73 ' N ' HH12 ' A' ' 344' ' ' ARG . 63.7 mt-10 -39.67 -44.91 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.11 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 m -58.35 -46.68 85.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 73.21 110.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 415' ' ' ALA . 32.5 mmm-85 -54.94 -39.77 69.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 74.13 110.279 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.501 ' CG2' ' NH2' ' A' ' 344' ' ' ARG . 19.5 t -69.05 -68.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.54 109.316 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 75.6 mt -40.69 -38.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.4 109.295 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 3.7 m -70.82 -47.95 56.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 73.13 109.989 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 419' ' ' VAL . 75.6 m-20 -98.45 68.41 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 75.04 109.29 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -98.96 -178.08 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 75.44 110.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 155.42 103.72 0.22 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 74.52 111.033 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 75.11 109.292 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.017 -0.833 . . . . 74.32 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 72.5 111.015 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -140.91 176.92 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 73.2 109.575 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 48.7 mmm -122.21 177.65 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 73.21 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' THR . . . . . 0.538 ' OG1' ' CE1' ' A' ' 335' ' ' PHE . 16.0 p -121.45 -177.61 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 63.53 110.356 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -106.08 -11.59 16.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 74.14 110.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -179.27 115.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 72.1 109.29 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.538 ' CE1' ' OG1' ' A' ' 332' ' ' THR . 17.0 m-85 -90.02 30.0 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 74.45 111.056 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 3.1 t -137.69 14.77 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 74.22 109.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -109.84 -14.88 14.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 74.33 109.594 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.455 ' CB ' ' CD ' ' A' ' 339' ' ' PRO . 0.0 OUTLIER -81.63 177.3 3.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 63.22 109.34 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 338' ' ' LEU . 18.4 Cg_endo -75.03 172.11 17.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 63.1 110.984 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 418' ' ' ARG . 18.2 Cg_endo -75.02 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 73.25 110.974 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -93.86 -27.06 16.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.599 1.187 . . . . 72.42 110.286 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.99 -33.57 11.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 71.52 110.307 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 346' ' ' ARG . 54.7 tt0 -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 74.01 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.482 ' NH2' HE22 ' A' ' 348' ' ' GLN . 7.3 ptm180 -77.99 -6.34 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 74.55 110.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -82.99 -52.37 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 62.44 109.288 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 343' ' ' GLN . 0.9 OUTLIER -49.78 -35.97 24.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 74.35 110.298 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 408' ' ' TYR . 19.4 mt -59.88 -68.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.52 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.482 HE22 ' NH2' ' A' ' 344' ' ' ARG . 52.2 mt-30 -38.78 -36.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -69.72 -58.61 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 73.42 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -65.13 -11.21 37.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.41 110.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . . . . . . . . . 1.8 tt -73.4 -61.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 71.23 109.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.96 -16.43 30.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.52 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.3 mt-10 -80.62 -56.44 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.32 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.422 ' NE ' ' HB2' ' A' ' 404' ' ' GLU . 3.5 mmt-85 -44.67 -35.17 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 74.24 110.353 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 1.8 t -77.74 -36.3 50.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 71.52 110.054 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' GLU . 31.7 mtt180 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 75.22 110.305 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.6 -39.77 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 72.3 110.309 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.459 ' CD2' HG23 ' A' ' 362' ' ' VAL . 0.5 OUTLIER -59.33 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 64.01 109.282 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 38.7 tp60 -39.35 -29.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 72.52 110.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 358' ' ' LEU . 11.1 mmmt -72.28 -53.16 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 74.11 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 358' ' ' LEU . 73.3 mm-40 -58.91 -43.16 91.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 74.11 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 358' ' ' LEU . 2.6 t -75.3 -22.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 70.15 109.278 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -73.22 -40.58 64.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 75.42 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.9 pt20 -87.09 -28.54 22.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 65.23 110.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 364' ' ' GLN . 1.6 tmt_? -37.45 -64.69 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 74.54 110.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.79 -30.56 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.32 110.279 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.482 ' HB3' ' CE ' ' A' ' 370' ' ' LYS . . . -63.76 -34.3 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 75.45 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 21.3 mt -50.57 -41.8 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 74.43 109.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -53.27 -33.8 54.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 71.45 109.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.482 ' CE ' ' HB3' ' A' ' 367' ' ' ALA . 1.8 ptpt -70.47 -44.81 66.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 72.03 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 371' ' ' MET . 0.0 OUTLIER -48.4 -22.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 74.45 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.419 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 7.4 mtpt -84.68 -53.67 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.3 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -52.32 -42.19 63.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 53.23 109.274 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.542 HG22 ' CE1' ' A' ' 375' ' ' TYR . 3.1 m -52.34 -30.85 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 72.33 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.557 ' CE2' HD11 ' A' ' 387' ' ' LEU . 18.9 m-30 -94.63 -24.35 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.43 111.017 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.74 -27.26 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 63.53 110.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -38.35 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 71.33 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.453 ' HB ' ' CE ' ' A' ' 381' ' ' MET . 32.2 m -126.11 87.81 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 73.51 110.413 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 62.13 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.19 -16.71 48.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 73.22 110.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.453 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 4.9 mtt -70.14 -56.08 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 75.43 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -161.87 -141.35 3.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 71.43 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.23 136.95 19.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 74.41 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.29 19.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 72.31 111.002 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -76.31 -10.61 59.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 71.14 109.278 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.4 t -101.24 7.15 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 73.14 109.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 375' ' ' TYR . 11.0 mt -110.52 -2.98 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 65.23 109.36 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.573 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -75.52 -47.1 4.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.44 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.01 -7.48 19.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 74.04 110.99 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.57 -37.13 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 75.11 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 36.0 mt -64.84 -68.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 73.13 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.46 -21.66 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 64.23 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 28.8 tt0 -74.69 -39.08 62.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 62.41 110.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 20.2 m -69.59 -38.35 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.41 110.373 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.78 -45.14 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 73.22 109.31 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 74.9 m -69.29 -23.15 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 61.34 109.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.473 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 98.4 m-20 -90.41 -10.67 42.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 75.02 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.492 ' O ' ' CD ' ' A' ' 402' ' ' LYS . 12.0 mt -92.02 -29.25 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 74.41 109.293 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 403' ' ' LEU . 0.2 OUTLIER -85.92 -19.24 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.1 110.292 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.8 ptm180 -95.88 -13.2 24.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 74.41 110.333 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 1.2 mt -90.64 -65.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 73.21 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 6.4 ptmm? -50.78 -45.08 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 74.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.409 ' CG ' ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -47.66 -38.97 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.3 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.0 mm-40 -76.18 -27.16 56.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 75.52 110.261 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 402' ' ' LYS . 0.4 OUTLIER -78.42 -4.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 74.14 109.264 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.27 -58.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 70.42 110.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 5.0 ptpt -40.86 -44.35 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 62.44 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 10.6 m-85 -61.67 -59.92 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 75.21 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -52.99 -20.02 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 75.34 110.284 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.4 -22.61 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.44 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -72.37 -39.9 67.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 70.23 108.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 348' ' ' GLN . 4.1 mm? -39.6 -44.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 72.41 109.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.54 -41.33 27.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 74.32 109.309 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -61.87 -15.52 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 73.52 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.78 -65.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 72.31 109.319 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 419' ' ' VAL . 50.4 mt-10 -39.76 -41.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.4 110.348 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 13.4 t -42.05 -49.65 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 70.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . 0.433 ' O ' ' ND2' ' A' ' 422' ' ' ASN . 92.7 mtt180 -55.67 -40.24 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 73.03 110.313 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 416' ' ' GLU . 70.0 t -64.86 -53.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 73.04 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 46.8 mt -53.11 -37.77 62.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 74.53 109.28 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.6 t -62.06 -50.44 71.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 74.33 110.006 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 418' ' ' ARG . 6.1 p30 -129.52 108.44 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 73.21 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.01 16.1 22.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 75.4 110.323 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 87.05 -53.55 4.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.118 . . . . 71.4 110.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 71.15 109.299 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 73.42 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.76 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 74.41 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.18 -177.39 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.35 109.618 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 18.7 mtp -127.52 158.11 38.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 73.51 110.977 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 2.7 p -117.24 -175.26 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 73.52 110.457 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . 0.538 ' O ' ' CE2' ' A' ' 335' ' ' PHE . 9.9 pt-20 -115.95 -37.33 3.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 75.25 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . 0.597 ' O ' ' CD1' ' A' ' 335' ' ' PHE . 21.5 m-20 -102.56 -31.68 10.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 72.13 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 334' ' ' ASP . 1.1 p90 37.8 30.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 74.42 110.989 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 334' ' ' ASP . 0.7 OUTLIER -75.36 -2.8 30.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 71.23 109.984 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -102.52 -31.24 10.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 72.02 109.618 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.468 ' HG ' ' CA ' ' A' ' 335' ' ' PHE . 9.8 mt -40.52 155.08 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 75.12 109.284 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.45 14.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 72.11 111.006 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.424 ' O ' ' NH2' ' A' ' 344' ' ' ARG . 18.4 Cg_endo -75.01 0.34 9.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 70.01 111.021 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . 0.409 ' HA ' ' NH2' ' A' ' 344' ' ' ARG . 8.3 tt0 -93.71 -39.65 10.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 75.42 110.298 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -93.51 -32.95 13.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 73.03 110.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -49.97 -60.52 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.11 110.346 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.539 ' NH2' ' CG2' ' A' ' 419' ' ' VAL . 7.6 ptp180 -48.92 -39.1 24.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.42 110.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 17.3 ttmt -62.38 -47.68 83.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 73.42 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 347' ' ' LEU . 17.6 mmm180 -53.96 -53.7 49.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 75.11 110.232 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 351' ' ' LEU . 5.0 mt -40.05 -65.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 74.25 109.353 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -39.51 -53.09 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 72.12 110.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -49.51 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 73.35 110.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -66.23 -9.72 34.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 74.11 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.467 ' CD2' ' HG2' ' A' ' 409' ' ' GLU . 1.9 tt -69.97 -46.91 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 61.53 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.59 -26.67 55.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 64.31 110.277 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.33 -48.29 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 75.44 110.278 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.455 ' CG ' HG21 ' A' ' 405' ' ' VAL . 3.7 tpt180 -64.33 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 73.44 110.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 4.6 t -72.35 -24.12 61.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 72.45 109.932 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -69.47 -65.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.4 110.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.447 ' OE1' ' CD2' ' A' ' 401' ' ' LEU . 3.1 pt-20 -55.62 -19.72 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 61.42 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.508 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.4 OUTLIER -65.09 -73.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 74.53 109.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.9 tp60 -45.75 -25.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 75.44 110.322 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -65.86 -54.91 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 74.54 109.352 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.64 -34.11 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 75.31 110.25 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.445 ' CG2' HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.71 -21.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 75.44 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 1.1 t70 -74.97 -25.31 58.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.42 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.6 pt20 -104.92 -27.62 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 70.32 110.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.508 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -43.5 -37.03 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 75.31 110.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.6 pt-20 -80.35 -31.89 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 71.12 110.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -66.14 -37.44 85.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 74.4 109.329 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.486 HD12 ' CB ' ' A' ' 394' ' ' THR . 6.1 mt -44.54 -47.82 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 72.25 109.307 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -34.45 78.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 74.5 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 367' ' ' ALA . 25.6 mtmm -72.88 -21.54 60.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.44 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.435 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 67.0 mmm -79.29 -6.44 56.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.35 111.001 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 376' ' ' GLU . 0.1 OUTLIER -91.05 -56.35 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.43 109.277 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -52.2 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 75.42 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.565 HG23 ' CD1' ' A' ' 375' ' ' TYR . 22.2 m -56.49 -38.82 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.11 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 387' ' ' LEU . 14.1 m-30 -84.92 -16.36 41.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.41 110.995 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 372' ' ' LYS . 4.9 mt-10 -75.29 -34.49 61.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 73.11 110.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 -38.18 5.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.2 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.422 HG21 ' CG ' ' A' ' 380' ' ' GLN . 3.2 m -119.46 82.27 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 63.22 110.385 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 72.44 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . 0.422 ' CG ' HG21 ' A' ' 378' ' ' THR . 3.9 pt20 -78.83 2.01 21.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 75.31 110.254 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.456 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 4.7 mtm -100.42 -48.77 4.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 75.21 110.99 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . -171.05 -165.45 28.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 61.51 110.959 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.85 143.18 36.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 62.44 109.284 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -24.35 13.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 71.25 111.012 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.91 -11.79 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.41 109.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 7.21 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.43 110.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 375' ' ' TYR . 7.1 mt -112.3 -1.9 14.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 74.33 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.548 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -78.17 -48.3 2.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.42 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.65 21.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 74.22 110.998 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . 0.42 ' NE2' HD23 ' A' ' 368' ' ' LEU . 0.4 OUTLIER -95.46 -40.05 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 75.41 110.262 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 30.2 mt -61.54 -67.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 70.22 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.84 -21.34 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 74.24 109.252 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.06 -37.75 53.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 63.35 110.281 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.486 ' CB ' HD12 ' A' ' 368' ' ' LEU . 11.7 m -71.19 -46.61 60.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 72.12 110.417 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.15 -54.4 45.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 71.44 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 2.0 t -63.68 -19.69 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.15 109.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.491 ' O ' ' CD1' ' A' ' 401' ' ' LEU . 74.8 m-20 -91.94 -16.36 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 65.41 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.445 HG12 ' CG2' ' A' ' 362' ' ' VAL . 28.7 mt -88.64 -43.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 73.33 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 403' ' ' LEU . 0.3 OUTLIER -70.79 -23.09 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 73.13 110.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.7 ptm180 -86.11 -29.07 23.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 74.14 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 397' ' ' ASN . 13.2 mt -73.86 -73.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 75.14 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.41 ' HB2' ' NE2' ' A' ' 406' ' ' GLN . 9.0 ptmt -40.52 -40.96 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 75.4 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 399' ' ' GLU . 2.2 mm? -56.93 -51.67 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 72.03 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.603 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 57.3 mm-40 -60.9 -26.83 67.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.22 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.455 HG21 ' CG ' ' A' ' 354' ' ' ARG . 2.2 t -91.44 -4.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 75.03 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 402' ' ' LYS . 47.0 mt-30 -98.7 -12.17 21.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 75.23 110.303 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.7 OUTLIER -93.65 -41.2 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.14 109.279 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.3 m-85 -61.69 -60.03 4.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 73.42 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 351' ' ' LEU . 7.1 mm-40 -54.37 -19.15 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.43 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.56 -21.37 16.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 71.32 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.46 -43.45 60.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 74.13 108.006 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.3 mm? -39.08 -41.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 75.21 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.3 -41.85 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 71.12 109.281 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -62.59 -14.67 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 74.21 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.79 -67.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.44 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -42.74 -34.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 75.24 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 36.0 t -61.23 -63.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.52 110.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.29 -26.67 52.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 72.34 110.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.539 ' CG2' ' NH2' ' A' ' 344' ' ' ARG . 38.3 t -67.57 -75.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 73.22 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 33.6 mt -44.74 -29.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 75.01 109.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 3.1 t -52.51 -47.56 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.04 110.021 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -123.23 120.78 34.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 62.35 109.299 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -134.24 -176.53 4.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 71.23 110.344 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 168.6 106.68 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.143 . . . . 72.11 110.97 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 74.4 109.298 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.002 -0.839 . . . . 62.41 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.84 15.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 74.41 111.028 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -129.38 175.19 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.5 109.572 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.36 152.81 41.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 75.55 111.025 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 333' ' ' GLU . 9.7 t -98.53 -173.76 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 72.24 110.41 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 333' ' ' GLU . 10.6 mp0 -109.33 -74.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 75.04 110.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.92 142.76 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 71.01 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.639 ' CE1' ' NH2' ' A' ' 346' ' ' ARG . 4.2 m-30 -99.5 -10.87 21.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.21 111.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 5.0 m -71.18 -11.87 61.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.04 109.988 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -79.95 -15.7 56.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 70.31 109.582 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.473 ' CD1' ' CD ' ' A' ' 346' ' ' ARG . 0.7 OUTLIER -95.52 162.3 24.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.22 109.3 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 74.14 111.021 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.471 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.4 Cg_endo -74.97 -10.96 21.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 74.22 110.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -77.19 -45.94 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 71.13 110.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 345' ' ' LYS . 2.1 mt-30 -89.59 -34.86 16.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 72.15 110.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -42.59 -40.05 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 73.52 110.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.5 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.2 ptm180 -65.91 -42.49 90.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 55.31 110.306 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 8.7 ttmt -64.69 -30.21 71.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 74.03 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.639 ' NH2' ' CE1' ' A' ' 335' ' ' PHE . 20.0 mmm180 -62.01 -32.09 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.13 110.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.427 HD21 ' CE1' ' A' ' 408' ' ' TYR . 10.5 mt -77.65 -49.03 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 75.15 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 347' ' ' LEU . 57.2 mt-30 -37.17 -38.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 74.42 110.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 345' ' ' LYS . 1.8 mp0 -70.04 -66.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 73.21 110.282 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.561 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 1.2 mp0 -42.81 -52.66 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.04 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 409' ' ' GLU . 0.4 OUTLIER -37.66 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 73.21 109.261 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -50.26 -47.22 55.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 75.03 110.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.42 ' OE1' ' NE2' ' A' ' 350' ' ' GLN . 76.2 mt-10 -51.96 -30.14 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 75.23 110.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.47 ' HB3' ' CG2' ' A' ' 405' ' ' VAL . 0.1 OUTLIER -79.83 -39.27 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.45 110.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 38.1 t -77.24 0.61 21.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 73.54 110.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -97.96 -26.17 14.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.43 110.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 360' ' ' LYS . 9.4 pt-20 -104.96 -32.1 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 72.55 110.323 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.3 OUTLIER -52.02 -54.49 29.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.42 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -60.84 -14.8 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.32 110.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 357' ' ' GLU . 24.4 mmmt -84.19 -54.63 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 75.5 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.413 ' OE2' ' CG2' ' A' ' 394' ' ' THR . 9.2 mm-40 -62.91 -35.77 81.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.2 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 2.1 t -77.58 -22.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.02 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -24.6 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 74.31 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.3 pt20 -105.14 -27.45 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.44 110.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.5 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -45.18 -36.83 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 75.52 110.295 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 0.9 OUTLIER -85.51 -25.42 26.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 74.22 110.302 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -74.34 -27.54 60.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 64.14 109.256 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 16.0 mt -50.21 -49.85 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 73.32 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.43 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -71.06 -20.87 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 74.5 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.475 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 69.1 mmm -83.76 -6.45 59.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.54 111.029 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 376' ' ' GLU . 9.8 mtpt -89.38 -58.9 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.41 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.68 -46.36 58.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 74.51 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.566 HG23 ' CD1' ' A' ' 375' ' ' TYR . 21.0 m -54.72 -39.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 71.14 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.57 ' CD2' HD12 ' A' ' 387' ' ' LEU . 13.8 m-30 -85.09 -15.86 42.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 71.3 111.01 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.4 mm-40 -76.29 -34.8 59.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 73.32 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 -37.9 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 74.2 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 381' ' ' MET . 19.1 m -118.8 82.43 20.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 74.45 110.44 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 75.13 111.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . 0.423 ' HG2' ' CG2' ' A' ' 378' ' ' THR . 3.6 pt20 -79.34 1.87 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.55 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.457 ' HG3' ' CG2' ' A' ' 378' ' ' THR . 4.0 mtt -99.42 -48.62 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.11 111.009 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.71 -163.55 25.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 73.24 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -117.41 135.51 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 73.33 109.305 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.3 12.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 75.3 110.987 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.09 -10.1 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 74.11 109.337 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 38.9 t -100.58 6.56 44.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 65.34 109.972 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 375' ' ' TYR . 8.7 mt -109.91 -2.45 17.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 74.52 109.354 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.9 mt-10 -78.49 -47.68 1.91 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 73.33 110.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.0 -13.24 21.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 74.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -95.33 -32.32 13.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 63.5 110.295 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 20.7 mt -67.88 -63.3 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 74.23 109.312 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.32 -21.67 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 74.31 109.324 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.38 -38.83 55.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 75.44 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 2.9 m -80.05 -29.31 39.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 65.24 110.431 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 2.8 mm? -78.89 -29.57 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 73.21 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 37.4 m -90.1 -23.01 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 70.21 109.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -83.99 -52.35 6.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.01 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 394' ' ' THR . 33.2 mt -43.27 -29.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 75.24 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.6 OUTLIER -69.19 -54.92 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.12 110.316 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 2.4 mtm105 -59.42 -35.85 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.53 110.262 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.13 -73.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 73.03 109.269 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 7.7 ptmt -47.62 -60.14 2.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 72.44 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.7 -50.84 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 71.41 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.606 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 23.3 mm-40 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.51 110.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 354' ' ' ARG . 0.4 OUTLIER -73.56 -4.45 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.21 109.316 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.03 -57.53 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 73.45 110.292 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -48.03 -42.58 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.31 109.322 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 10.3 m-85 -61.8 -54.09 47.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 73.34 110.983 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 351' ' ' LEU . 30.8 mm-40 -54.96 -22.41 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.24 110.33 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.37 -20.15 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 72.33 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.0 m0 -75.2 -40.35 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 74.11 108.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.409 ' CD2' ' O ' ' A' ' 408' ' ' TYR . 4.6 mm? -39.81 -40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.2 109.281 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.53 -39.89 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.34 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.9 mm-40 -64.24 -14.26 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.15 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.73 -56.63 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.21 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.5 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 0.7 OUTLIER -47.53 -51.98 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 64.32 110.265 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 20.7 t -47.99 -52.82 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 73.24 110.007 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -53.34 -32.7 50.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.32 110.255 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 55.6 t -75.25 -76.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.15 109.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.0 mt -40.8 -29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.23 109.269 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 423' ' ' ARG . 7.3 t -67.45 -59.12 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 65.12 110.003 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -62.31 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 74.1 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 421' ' ' SER . 63.9 mtp180 -78.67 82.04 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.15 110.257 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -49.09 -22.37 3.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.519 1.137 . . . . 72.32 110.995 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 65.25 109.304 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.978 -0.849 . . . . 54.21 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 73.21 110.986 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -56.83 147.86 22.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 71.41 109.552 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -148.27 155.33 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 74.42 110.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 6.0 t -69.42 -176.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 74.44 110.409 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.34 -148.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 73.14 110.293 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.95 138.27 58.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 64.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.618 ' CD2' ' CD1' ' A' ' 338' ' ' LEU . 7.5 m-85 -88.94 14.63 10.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 75.51 111.031 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 5.8 t -82.15 -43.06 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 75.0 110.044 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -59.5 -16.2 22.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 75.14 109.6 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.618 ' CD1' ' CD2' ' A' ' 335' ' ' PHE . 63.4 mt -61.84 159.49 35.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 71.14 109.275 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 74.15 111.024 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.449 ' HB2' ' CG2' ' A' ' 419' ' ' VAL . 18.4 Cg_endo -74.96 0.28 9.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 62.32 111.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . 0.419 ' HA ' ' NH2' ' A' ' 344' ' ' ARG . 31.0 tt0 -96.7 -39.77 9.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 71.12 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -90.1 -21.18 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.35 110.245 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.37 -33.28 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.32 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.521 ' NH2' ' CG2' ' A' ' 419' ' ' VAL . 6.8 ptp180 -90.85 -6.33 54.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 72.21 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -78.87 -27.98 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 73.33 109.29 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 347' ' ' LEU . 5.3 ptm180 -88.04 -40.74 13.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 70.23 110.313 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 344' ' ' ARG . 17.2 mt -44.44 -59.35 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 75.35 109.321 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -59.65 -46.22 89.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 71.25 110.335 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -56.67 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 61.44 110.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -44.31 -45.97 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.24 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 405' ' ' VAL . 26.0 tp -42.71 -53.85 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 75.34 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 356' ' ' ARG . 4.9 tt0 -55.76 -49.11 74.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.14 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.02 -16.38 12.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 71.11 110.326 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 401' ' ' LEU . 4.3 tpt180 -95.75 -40.59 9.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.34 110.269 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.39 0.48 53.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.52 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 352' ' ' GLU . 54.6 mtt180 -99.42 -45.3 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 73.45 110.301 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 401' ' ' LEU . 11.6 pt-20 -80.17 3.04 21.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 70.53 110.255 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.457 HD21 ' CG2' ' A' ' 362' ' ' VAL . 5.2 tt -77.92 -55.39 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 72.1 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -56.27 -16.87 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 73.31 110.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -76.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 75.3 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.463 ' HB2' ' CG2' ' A' ' 394' ' ' THR . 13.1 pt-20 -57.06 -22.77 41.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 74.11 110.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.457 ' CG2' HD21 ' A' ' 358' ' ' LEU . 1.7 t -77.11 -37.48 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.32 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.87 -30.26 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 75.55 109.317 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.1 pt20 -103.77 -24.95 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.01 110.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -37.73 -40.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 71.31 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . 0.411 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.5 pt-20 -90.98 -31.92 16.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 74.03 110.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -54.8 -38.12 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 73.33 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 14.5 mt -43.82 -45.26 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.11 109.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -41.38 66.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 75.14 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 367' ' ' ALA . 0.0 OUTLIER -61.19 -28.09 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.33 109.269 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.61 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 49.2 mmm -80.65 -6.07 57.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 75.21 110.987 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.475 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.5 mtpt -90.94 -59.8 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 73.12 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.08 -47.76 61.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.15 109.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 375' ' ' TYR . 28.5 m -49.02 -37.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 72.52 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 371' ' ' MET . 19.2 m-30 -86.63 -26.28 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 74.12 110.999 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.05 -26.16 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.54 110.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -37.41 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 72.11 109.279 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 381' ' ' MET . 27.4 m -128.49 71.38 80.34 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 73.52 110.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 382' ' ' GLY . 18.3 Cg_endo -74.99 1.7 7.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 74.52 111.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -72.56 -13.87 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 74.41 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.1 OUTLIER -104.41 -4.84 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.45 111.005 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.535 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.57 -177.73 41.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 70.43 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.39 147.11 60.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 74.34 109.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.51 1.794 . . . . 73.33 111.045 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.17 -14.47 60.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 75.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 97.6 p -101.1 4.76 42.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 75.04 109.999 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 391' ' ' ILE . 41.5 mt -110.43 -3.89 15.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 73.15 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.5 mt-10 -72.73 -46.96 9.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 71.34 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.98 -9.13 20.67 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 74.01 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.77 -31.31 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 64.52 110.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 387' ' ' LEU . 23.5 mt -77.44 -54.54 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 70.22 109.26 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.95 56.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 73.4 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.06 -34.99 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.12 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 361' ' ' GLU . 4.9 m -84.98 -11.7 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 64.42 110.412 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.99 -28.06 14.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.51 109.234 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 7.2 t -90.59 -5.89 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 75.32 109.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -97.0 -52.59 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.42 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 96.3 mt -46.83 -42.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.32 109.326 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.415 ' HA ' ' CD ' ' A' ' 402' ' ' LYS . 0.1 OUTLIER -54.48 -39.51 67.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 71.33 110.325 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 39.5 mtt180 -74.28 -38.77 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 73.51 110.298 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 354' ' ' ARG . 1.5 mt -59.21 -55.79 30.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.43 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 405' ' ' VAL . 6.1 ptmm? -59.2 -58.05 10.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.14 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.414 ' HA ' ' NE2' ' A' ' 406' ' ' GLN . 1.8 mm? -42.99 -53.31 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 72.01 109.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.548 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 20.7 mm-40 -60.57 -33.25 72.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.11 110.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 401' ' ' LEU . 98.9 t -76.15 -6.8 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 75.5 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 403' ' ' LEU . 0.7 OUTLIER -98.84 -57.53 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 75.04 110.323 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -44.72 -42.0 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.44 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 6.3 m-85 -62.26 -57.38 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 72.02 111.001 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.42 -21.09 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 62.43 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.49 -21.29 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.34 109.298 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.0 -38.38 64.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.974 -1.121 . . . . 75.41 107.974 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 347' ' ' LEU . 4.1 mm? -39.81 -44.81 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 73.33 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.63 -38.88 38.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.43 109.299 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.54 -15.26 60.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 72.11 110.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.66 -63.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.22 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 419' ' ' VAL . 9.2 mt-10 -46.46 -34.41 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.14 110.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 t -47.27 -42.24 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.4 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -60.83 -32.96 72.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.32 110.28 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.521 ' CG2' ' NH2' ' A' ' 344' ' ' ARG . 36.8 t -70.37 -72.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 74.42 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.1 mt -47.53 -33.37 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.31 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 2.0 t -54.28 -68.91 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 72.04 110.003 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -74.08 154.04 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 75.33 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -108.55 169.9 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 70.12 110.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -131.01 24.77 4.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 71.44 111.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 15.8 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 74.12 109.291 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.979 -0.848 . . . . 73.05 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . 0.42 ' HG2' ' CD2' ' A' ' 330' ' ' HIS . 18.3 Cg_endo -75.02 -19.88 17.37 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 74.34 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . 0.563 ' CD2' ' N ' ' A' ' 330' ' ' HIS . 0.2 OUTLIER -92.67 -175.42 3.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 72.43 109.556 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.53 161.03 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 71.45 111.015 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 333' ' ' GLU . 11.3 t -85.6 -165.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 64.33 110.413 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . 0.416 ' N ' ' OG1' ' A' ' 332' ' ' THR . 82.0 mt-10 -107.57 -65.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 75.21 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . 0.402 ' N ' ' OD2' ' A' ' 334' ' ' ASP . 0.5 OUTLIER -106.84 137.47 44.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 74.31 109.367 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.631 ' CD1' ' N ' ' A' ' 335' ' ' PHE . 0.2 OUTLIER -131.2 16.74 5.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 72.43 111.04 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.29 11.13 37.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.15 109.989 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -130.72 22.7 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 75.4 109.613 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 335' ' ' PHE . 0.3 OUTLIER -102.32 165.87 13.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 75.42 109.308 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 343' ' ' GLN . 18.2 Cg_endo -75.05 168.94 23.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 71.25 110.953 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.451 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.01 1.12 8.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.798 . . . . 74.4 111.015 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -81.09 -52.31 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 74.15 110.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.418 ' NE2' HD11 ' A' ' 338' ' ' LEU . 0.0 OUTLIER -96.1 -24.56 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 74.33 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 339' ' ' PRO . 39.3 tt0 -56.65 -31.55 64.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 73.24 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.485 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.9 ptm180 -74.29 -26.21 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 75.24 110.286 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -30.0 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 74.23 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -38.06 81.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.34 110.258 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 351' ' ' LEU . 4.2 mt -59.41 -61.64 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.33 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -39.47 -29.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 72.43 110.314 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 347' ' ' LEU . 38.1 mt-30 -85.19 -47.87 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 74.2 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 347' ' ' LEU . 18.4 mm-40 -71.71 -6.14 39.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 74.33 110.303 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 347' ' ' LEU . 1.4 tt -84.53 -50.72 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.31 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 21.1 tt0 -63.18 -23.89 67.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 72.53 110.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -76.03 -51.3 12.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.3 110.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.448 ' NH2' ' CD ' ' A' ' 404' ' ' GLU . 9.0 mmt180 -58.83 -33.39 70.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 75.04 110.276 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 7.0 t -86.37 -1.96 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.4 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.1 mmm-85 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.13 110.296 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 360' ' ' LYS . 0.6 OUTLIER -99.47 1.44 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 71.22 110.272 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 401' ' ' LEU . 2.4 tt -89.39 -49.69 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.53 109.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 50.0 tp60 -59.25 -27.38 65.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 74.42 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 357' ' ' GLU . 2.1 ptpt -78.69 -38.78 38.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 73.53 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 360' ' ' LYS . 5.6 mm-40 -69.36 -36.76 77.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 71.45 110.261 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.68 -39.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.33 109.256 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 7.9 t70 -56.63 -29.7 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 71.53 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.5 pt20 -104.65 -27.68 11.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 75.2 110.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 364' ' ' GLN . 0.9 OUTLIER -35.68 -44.39 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 70.31 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -85.44 -36.47 20.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 74.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -51.75 -35.67 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 73.12 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 390' ' ' GLN . 10.3 mt -45.66 -45.31 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 73.15 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -37.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 65.5 109.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.486 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 0.0 OUTLIER -65.44 -30.0 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 64.42 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 39.6 mmm -73.66 -7.42 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 74.22 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.0 mtpt -92.12 -56.57 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 75.5 109.308 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.73 -42.57 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 74.33 109.282 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 375' ' ' TYR . 17.3 m -53.55 -33.78 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 73.41 109.278 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.599 ' CD1' HG21 ' A' ' 374' ' ' VAL . 22.4 m-30 -90.15 -26.74 20.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 73.23 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -63.72 -26.76 68.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 72.34 110.294 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -35.57 4.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 73.21 109.284 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 381' ' ' MET . 33.3 m -130.07 67.88 80.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 74.44 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.03 1.88 7.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 72.13 110.987 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.86 -1.61 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.4 110.277 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -118.93 -4.81 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 75.23 111.005 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 173.19 -164.26 36.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 35.52 111.02 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.416 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 2.0 m-20 -154.28 146.39 17.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 70.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -24.54 12.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 65.54 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.16 -17.38 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 71.23 109.334 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 34.3 m -100.63 7.12 44.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 75.53 109.977 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 71.4 mt -108.65 -12.26 14.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 64.41 109.283 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.594 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -58.45 -45.41 99.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 75.45 110.245 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.03 -6.89 18.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 73.31 110.988 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 368' ' ' LEU . 5.6 tt0 -99.65 -21.21 15.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 75.01 110.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 372' ' ' LYS . 18.6 mt -89.99 -54.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 72.44 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.76 -23.92 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 75.15 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 389' ' ' PRO . 15.3 tt0 -78.37 -40.05 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 74.21 110.334 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.407 ' O ' ' CG1' ' A' ' 398' ' ' ILE . 31.2 m -76.52 -26.55 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 74.23 110.421 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . 0.502 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 2.3 mm? -84.36 -28.02 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 65.14 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 42.1 t -88.25 -20.84 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 63.33 110.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 400' ' ' ARG . 92.8 m-20 -86.48 -47.72 9.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 75.55 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.493 ' O ' ' CD ' ' A' ' 402' ' ' LYS . 46.1 mt -48.08 -28.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 73.4 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.3 OUTLIER -72.57 -36.74 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 75.13 110.308 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 16.4 mtp85 -76.03 -39.88 54.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 75.14 110.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 358' ' ' LEU . 13.8 mt -53.08 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 64.12 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.35 -56.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 75.22 109.35 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -42.67 -50.93 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 70.13 109.315 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 400' ' ' ARG . 2.5 mm-40 -60.33 -36.69 78.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.44 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 402' ' ' LYS . 24.6 t -73.21 -5.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 75.3 109.277 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -99.54 -57.8 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.32 110.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.602 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.9 ptpp? -46.94 -43.39 19.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 75.21 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 5.1 m-85 -62.47 -59.92 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.14 110.97 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.435 ' HG3' ' CD1' ' A' ' 351' ' ' LEU . 8.2 mt-10 -53.09 -19.93 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 73.21 110.29 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.414 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -22.5 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 65.14 109.271 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -71.99 -40.84 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 75.53 107.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.5 mm? -39.79 -43.76 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.44 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.84 32.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.01 109.351 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.3 mm-40 -63.49 -16.06 59.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 65.3 110.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 75.43 109.308 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.485 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 31.0 mt-10 -38.47 -50.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 75.51 110.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 23.0 t -51.93 -48.58 64.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 73.51 110.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 415' ' ' ALA . 36.9 mtp85 -57.55 -32.29 66.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 74.02 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 39.4 t -73.15 -70.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 74.34 109.327 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.8 mt -41.63 -31.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.41 109.33 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 73.6 m -69.88 -51.56 32.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 63.24 110.016 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 419' ' ' VAL . 7.3 p30 -135.84 118.14 15.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 62.35 109.296 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -96.72 29.69 2.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 75.24 110.319 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.04 14.19 65.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 73.34 111.001 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 65.24 109.268 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.996 -0.842 . . . . 74.44 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -171.72 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 64.12 111.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -153.42 166.2 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 75.32 109.612 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 2.0 ttt -151.06 155.74 39.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.1 111.037 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' THR . . . . . 0.639 ' CG2' ' CE1' ' A' ' 335' ' ' PHE . 13.0 t -124.44 -170.24 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 73.52 110.382 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -91.14 -73.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.25 110.258 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -102.03 121.23 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 63.4 109.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.639 ' CE1' ' CG2' ' A' ' 332' ' ' THR . 4.2 m-85 -93.14 49.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 73.42 111.016 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 16.6 m -92.87 -55.98 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 53.21 110.011 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -51.77 -28.54 15.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 74.14 109.65 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.458 ' CD1' ' CD2' ' A' ' 335' ' ' PHE . 49.8 mt -55.82 159.84 4.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 75.44 109.245 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.21 23.11 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.503 1.791 . . . . 70.35 111.002 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.441 ' HB2' ' CG2' ' A' ' 419' ' ' VAL . 18.2 Cg_endo -74.98 -20.55 16.8 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 73.42 110.988 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -78.63 -31.6 47.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.14 110.341 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -23.54 15.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.45 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.72 -30.74 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 75.2 110.296 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.44 -6.3 54.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 72.33 110.309 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -84.93 -45.97 11.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 64.54 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.445 ' CG ' HD22 ' A' ' 347' ' ' LEU . 3.4 ptt85 -57.14 -31.87 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.54 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.445 HD22 ' CG ' ' A' ' 346' ' ' ARG . 24.8 mt -63.65 -59.56 4.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.44 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -42.67 -44.16 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 75.01 110.279 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 351' ' ' LEU . 39.0 mm-40 -65.57 -70.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 72.55 110.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 350' ' ' GLN . 13.4 mm-40 -43.04 -27.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.23 110.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.522 ' CD1' ' CG ' ' A' ' 409' ' ' GLU . 1.3 tt -61.9 -73.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.299 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 44.1 tt0 -53.04 -20.14 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.41 110.301 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.61 -42.64 61.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 71.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.469 ' HB2' ' CG2' ' A' ' 405' ' ' VAL . 12.7 mmt180 -68.3 -57.6 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.43 110.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 358' ' ' LEU . 1.6 t -53.86 -33.56 56.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 74.34 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.8 mmm-85 -54.09 -29.94 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.55 110.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LYS . 2.9 mm-40 -105.51 -24.57 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 72.4 110.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.446 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 2.3 tt -50.43 -46.03 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 65.13 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 54.6 tp60 -72.36 -26.67 61.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 75.25 110.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . 0.458 ' HA ' ' CE ' ' A' ' 360' ' ' LYS . 0.0 OUTLIER -64.92 -45.15 87.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.52 109.274 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -76.59 -37.78 55.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 72.45 110.288 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.96 -19.97 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.12 109.312 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.8 OUTLIER -76.48 -26.55 55.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 71.31 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -104.97 -22.53 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 74.34 110.29 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.458 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.5 OUTLIER -48.36 -36.01 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.42 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 6.1 pt-20 -92.38 -20.11 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 53.21 110.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . . . . . . . . . . . -80.89 -20.4 42.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.32 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 5.0 mt -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 65.12 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -50.04 -23.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 74.01 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.489 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 23.2 mtpt -87.5 -33.65 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.03 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.559 ' O ' ' CE2' ' A' ' 375' ' ' TYR . 52.5 mmm -66.41 -10.53 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 73.42 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -61.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 74.23 109.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 12.1 t0 -45.26 -35.23 3.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 52.12 109.275 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 370' ' ' LYS . 35.5 m -52.87 -44.51 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 74.15 109.252 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.569 ' CE1' ' HA3' ' A' ' 382' ' ' GLY . 18.5 m-85 -80.63 -31.89 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 71.43 110.97 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -54.12 -30.97 50.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.45 110.306 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.6 OUTLIER -111.93 -32.43 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 74.13 109.336 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.6 m -133.72 69.83 75.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 72.12 110.41 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.5 Cg_endo -74.97 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 64.43 111.023 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -70.71 -5.71 31.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 72.1 110.303 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -114.94 -7.54 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 71.05 111.032 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.569 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 164.99 -171.81 40.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 75.44 111.027 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.558 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 48.3 m-20 -132.6 146.96 63.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 74.11 109.284 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.78 19.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 70.54 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.4 ' HA ' ' CG ' ' A' ' 388' ' ' GLU . . . -79.14 -2.7 42.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 71.45 109.262 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 14.5 m -101.65 7.06 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 71.41 109.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.15 -0.62 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 75.42 109.338 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.0 OUTLIER -68.68 -46.23 34.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 63.55 110.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.02 -10.74 21.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 62.24 111.014 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -99.46 -31.28 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.24 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.466 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 11.5 mt -60.76 -60.5 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.12 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.77 -15.18 39.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 64.14 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 15.7 tt0 -83.79 -34.03 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 63.32 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 9.6 m -72.39 -50.57 25.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 70.24 110.372 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.42 -49.05 78.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.24 109.246 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' SER . . . . . 0.467 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 5.5 t -68.99 -14.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 73.21 109.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.47 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 20.2 m-20 -91.11 -22.87 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 71.43 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 18.7 mt -83.13 -43.41 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.13 109.26 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 403' ' ' LEU . 0.0 OUTLIER -69.22 -20.73 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 75.43 110.355 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 6.7 ptm180 -98.63 -8.5 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 73.02 110.271 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.401 ' CD1' ' OE2' ' A' ' 361' ' ' GLU . 10.8 mt -95.61 -39.97 9.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.5 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -78.44 -34.96 47.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 74.41 109.281 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -59.87 -50.9 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 65.1 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 71.5 mm-40 -61.09 -24.9 66.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 72.42 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 354' ' ' ARG . 96.7 t -92.29 -4.66 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 72.14 109.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -98.76 -14.26 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 74.35 110.315 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -95.52 -41.05 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.01 109.299 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 9.0 m-85 -62.33 -59.96 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 74.32 111.013 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.522 ' CG ' ' CD1' ' A' ' 351' ' ' LEU . 4.9 mt-10 -54.02 -19.38 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 74.42 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.38 -22.01 16.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 72.12 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -72.85 -42.16 64.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.43 107.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.3 mm? -39.52 -42.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.42 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.37 -40.55 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 72.21 109.267 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.3 mm-40 -63.5 -14.77 54.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.24 110.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.57 -60.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.24 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.21 -53.86 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.24 110.28 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.4 t -45.88 -39.33 8.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 73.14 110.011 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -70.47 -48.14 57.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.12 110.291 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 340' ' ' PRO . 78.9 t -50.17 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 73.03 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.01 -57.28 5.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 74.32 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.2 t -46.21 -36.92 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 71.35 109.969 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -90.58 87.35 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 71.11 109.311 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -117.74 172.17 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 73.04 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -76.6 67.88 2.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 30.23 111.011 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 61.14 109.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.964 -0.854 . . . . 61.34 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -53.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 75.42 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.59 163.08 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 73.11 109.545 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 29.9 mtp -138.19 145.67 41.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 75.41 111.035 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 11.3 t -64.25 -173.74 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 75.13 110.431 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -42.12 -61.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 70.25 110.277 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.39 110.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 62.45 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' A' ' 343' ' ' GLN . 1.8 t80 -75.7 0.13 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 65.01 111.019 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 1.5 t -88.73 -17.44 29.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 72.22 109.978 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -112.09 -18.37 12.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 75.52 109.615 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 335' ' ' PHE . 18.5 mt -39.87 154.79 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 73.5 109.328 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 343' ' ' GLN . 18.2 Cg_endo -75.02 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 71.41 111.016 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 73.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -95.17 -40.32 9.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 74.15 110.34 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 345' ' ' LYS . 11.6 mt-30 -98.25 -47.39 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 70.14 110.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.576 ' HG3' ' CE1' ' A' ' 335' ' ' PHE . 52.4 tt0 -40.63 -35.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.11 110.323 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 416' ' ' GLU . 9.5 ptm180 -67.76 -47.81 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 73.22 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 342' ' ' GLN . 2.7 ptpt -49.92 -29.76 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 60.22 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -68.95 -41.47 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 75.51 110.283 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 351' ' ' LEU . 18.5 mt -65.78 -46.11 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.41 109.272 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -55.81 -20.03 13.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 72.44 110.319 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -87.64 -75.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.44 110.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -46.16 -30.76 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.42 110.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.501 ' CD1' ' CG2' ' A' ' 405' ' ' VAL . 0.3 OUTLIER -60.0 -59.13 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 74.24 109.325 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.1 tt0 -60.42 -21.89 62.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 72.11 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 356' ' ' ARG . 75.7 mt-10 -87.87 -10.26 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 72.24 110.317 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.432 ' HD2' ' CD2' ' A' ' 401' ' ' LEU . 4.2 mmt180 -95.55 -35.92 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 74.01 110.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 358' ' ' LEU . 2.0 t -75.11 -54.8 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 75.13 109.966 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.471 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 0.2 OUTLIER -46.31 -47.55 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.45 110.327 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 356' ' ' ARG . 0.3 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 74.41 110.304 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 355' ' ' SER . 3.5 tt -64.19 -48.91 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 73.34 109.351 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.1 tp60 -65.46 -10.06 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 75.13 110.265 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -87.5 -29.72 21.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 74.24 109.292 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 394' ' ' THR . 7.2 mm-40 -78.86 -39.39 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 72.11 110.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 398' ' ' ILE . 3.1 t -79.87 -31.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.0 OUTLIER -61.62 -23.88 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.2 109.268 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 365' ' ' ARG . 5.5 pt20 -104.61 -25.28 12.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.103 . . . . 74.14 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 365' ' ' ARG . 3.6 mmm180 -35.24 -62.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.33 110.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.17 -34.31 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 74.21 110.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 370' ' ' LYS . . . -51.1 -50.23 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 75.35 109.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 6.8 mt -42.09 -57.78 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.43 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -45.83 -38.96 7.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.12 109.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 367' ' ' ALA . 16.3 mtmt -72.85 -37.0 67.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.22 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 368' ' ' LEU . 61.8 mmm -63.29 -11.01 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 74.22 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.468 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 1.3 mtpm? -88.47 -55.14 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 72.34 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 18.5 t0 -50.97 -41.02 59.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 73.45 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.478 HG23 ' CE1' ' A' ' 375' ' ' TYR . 4.2 m -53.95 -33.41 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.02 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.576 ' CE1' ' HA3' ' A' ' 382' ' ' GLY . 20.5 m-30 -91.48 -27.25 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.42 110.983 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.32 -26.28 68.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 75.52 110.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -115.1 -36.31 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.04 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 381' ' ' MET . 4.3 m -130.87 69.03 82.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 72.31 110.391 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . 0.419 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.57 7.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 73.24 110.969 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -73.69 -2.84 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 63.34 110.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.88 -4.6 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 71.03 111.01 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 176.99 39.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 41.42 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.424 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 0.6 OUTLIER -127.78 144.4 51.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 62.11 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.46 11.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.799 . . . . 75.33 111.009 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.96 -12.56 51.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 74.25 109.257 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 m -100.79 9.01 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.53 110.021 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 391' ' ' ILE . 13.4 mt -117.02 -3.8 11.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 73.04 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.627 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.98 -43.85 2.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 74.4 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.05 -20.65 16.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 73.32 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -89.06 -28.19 20.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 72.43 110.276 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 387' ' ' LEU . 12.6 mt -67.9 -56.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 74.01 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.07 -11.85 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 63.04 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.416 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -85.17 -32.95 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 65.12 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 365' ' ' ARG . 2.0 m -69.22 -34.5 74.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 63.42 110.364 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . 0.41 HD21 ' NE ' ' A' ' 365' ' ' ARG . 2.2 mm? -74.99 -54.58 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 75.22 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' SER . . . . . 0.443 ' O ' ' NE ' ' A' ' 400' ' ' ARG . 3.1 t -60.62 -20.09 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 72.25 109.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.416 ' ND2' ' HG2' ' A' ' 393' ' ' GLU . 78.1 m-20 -90.04 -25.55 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 72.52 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 362' ' ' VAL . 10.8 mt -77.26 -46.1 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 71.24 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 403' ' ' LEU . 0.2 OUTLIER -62.29 -36.41 82.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.31 110.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 400' ' ' ARG . 3.4 ptp180 -83.02 -7.11 59.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.01 110.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 404' ' ' GLU . 2.8 mt -89.92 -74.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.4 109.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 401' ' ' LEU . 0.6 OUTLIER -39.49 -44.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 73.42 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 399' ' ' GLU . 1.1 mp -46.64 -49.68 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 74.2 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 21.0 mm-40 -56.3 -44.25 79.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 75.02 110.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 351' ' ' LEU . 3.4 t -73.16 -3.86 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 73.31 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.48 -40.36 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 75.04 110.289 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.623 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -75.02 -41.01 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 75.04 109.358 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.7 m-85 -63.91 -59.37 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 73.44 110.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 351' ' ' LEU . 8.4 mt-10 -54.28 -18.93 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 74.22 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.32 -23.77 15.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.3 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.4 m0 -71.02 -42.01 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 70.01 107.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 411' ' ' TRP . 4.5 mm? -39.72 -42.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.52 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.72 28.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 71.54 109.313 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.9 mm-40 -64.0 -15.02 58.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 75.21 110.267 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.93 -64.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 72.14 109.255 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 344' ' ' ARG . 42.8 mt-10 -38.72 -45.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 73.54 110.278 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.2 p -39.74 -49.83 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 54.23 110.043 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 -57.96 -45.56 86.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.41 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 416' ' ' GLU . 75.9 t -55.71 -62.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 74.31 109.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.02 -31.79 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 75.03 109.271 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.2 m -72.08 -44.74 62.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.44 109.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -138.14 112.55 8.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 73.3 109.254 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -84.35 177.36 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 72.23 110.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -134.92 61.98 0.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 74.03 111.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 72.31 109.291 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.003 -0.839 . . . . 74.11 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 73.32 110.979 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -117.96 -177.51 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 74.31 109.616 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' MET . . . . . 0.452 ' CE ' HG23 ' A' ' 332' ' ' THR . 10.1 ptm -117.56 177.81 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 71.12 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' THR . . . . . 0.452 HG23 ' CE ' ' A' ' 331' ' ' MET . 5.2 t -59.33 -179.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 52.11 110.359 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -126.33 -152.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 74.45 110.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.4 109.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 74.3 109.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.423 ' CE1' HG21 ' A' ' 332' ' ' THR . 7.1 m-85 -58.2 -21.07 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 55.54 110.984 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -22.88 67.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 75.54 109.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -64.65 -13.72 55.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 75.51 109.595 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.403 HD11 ' CA ' ' A' ' 335' ' ' PHE . 0.5 OUTLIER -88.78 160.19 44.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 75.03 109.289 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 170.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 75.1 111.024 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.4 Cg_endo -74.93 1.01 8.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 74.2 111.026 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -85.71 -60.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 72.22 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 342' ' ' GLN . 0.0 OUTLIER -78.94 -17.73 55.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 72.12 110.331 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -57.51 -28.8 63.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 75.35 110.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.476 ' HA ' ' CD1' ' A' ' 347' ' ' LEU . 0.9 OUTLIER -79.34 -16.43 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.42 110.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.426 ' HD2' ' NE2' ' A' ' 349' ' ' GLN . 0.0 OUTLIER -79.96 -23.9 41.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 74.34 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 347' ' ' LEU . 1.4 ptm180 -75.26 -30.81 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.53 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 344' ' ' ARG . 4.1 mt -67.14 -73.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 72.34 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 347' ' ' LEU . 26.7 mt-30 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.42 110.275 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 347' ' ' LEU . 69.6 mt-30 -67.59 -57.4 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.13 110.288 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.405 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 70.9 mm-40 -62.96 -30.13 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 74.35 110.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 408' ' ' TYR . 0.1 OUTLIER -62.04 -56.76 15.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.51 109.365 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.41 -11.33 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 74.35 110.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -87.3 -46.95 9.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 75.21 110.29 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 358' ' ' LEU . 48.2 mmt-85 -62.12 -53.09 60.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.33 110.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 17.8 t -48.54 -23.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 70.42 109.967 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -82.13 -57.86 3.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 74.14 110.333 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 401' ' ' LEU . 5.4 pt-20 -70.26 -6.27 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 71.55 110.305 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.475 ' C ' ' CD2' ' A' ' 358' ' ' LEU . 0.4 OUTLIER -87.28 -52.43 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 75.31 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 46.8 tp60 -68.14 -8.14 35.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 75.25 110.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -84.35 -29.93 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.3 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 360' ' ' LYS . 60.1 mm-40 -96.7 -33.62 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 75.43 110.32 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.468 ' CG2' HG12 ' A' ' 398' ' ' ILE . 1.8 t -77.07 -19.41 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.32 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.1 OUTLIER -76.78 -26.0 54.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 72.3 109.312 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 367' ' ' ALA . 5.8 pt20 -105.12 -25.15 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.44 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.52 ' C ' ' CD ' ' A' ' 365' ' ' ARG . 0.0 OUTLIER -44.75 -37.66 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 71.4 110.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.1 pt-20 -88.57 -24.14 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 75.44 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -77.0 -20.42 56.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.24 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 8.4 mt -56.25 -55.67 30.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 73.14 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -59.18 -22.78 61.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 75.31 109.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -77.33 -23.58 50.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.14 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 375' ' ' TYR . 65.7 mmm -80.22 -6.5 57.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 74.01 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 376' ' ' GLU . 12.7 mttt -86.98 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 75.25 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -48.2 -47.89 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 72.23 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.535 HG22 ' CD1' ' A' ' 375' ' ' TYR . 18.3 m -53.84 -39.33 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 74.23 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 387' ' ' LEU . 12.8 m-30 -84.33 -16.91 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 71.41 111.006 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 372' ' ' LYS . 3.2 mm-40 -75.25 -34.61 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.52 110.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 -40.34 5.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 71.22 109.277 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' THR . . . . . . . . . . . . . 12.7 m -116.77 83.01 13.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 71.32 110.372 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 74.4 111.019 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -78.48 -0.58 29.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 72.03 110.311 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 3.5 mtt -96.65 -48.24 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 74.31 110.986 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -173.65 -167.29 33.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 72.32 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -110.97 135.57 20.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 75.43 109.307 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.98 10.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 75.22 110.984 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.94 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 74.53 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 13.7 m -93.78 4.0 54.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 73.52 110.012 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 375' ' ' TYR . 39.9 mt -107.22 -7.7 16.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.51 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.3 mt-10 -77.86 -48.04 2.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 73.34 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.03 -9.2 20.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 50.13 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -95.62 -35.23 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 74.4 110.31 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 11.3 mt -60.27 -67.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 75.45 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.91 -19.95 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.31 109.293 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 12.1 tt0 -79.68 -37.03 36.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.15 110.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 65.7 m -78.38 -33.67 48.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.42 110.343 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 395' ' ' LEU . 4.1 mm? -66.13 -59.07 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 75.04 109.352 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 12.7 m -61.7 -19.32 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 74.43 110.027 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.472 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 37.5 m-20 -85.46 -20.2 30.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 64.3 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' A' ' 362' ' ' VAL . 15.5 mt -82.37 -48.01 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 74.14 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -64.95 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.02 110.274 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.6 ptm180 -71.98 -7.85 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 75.45 110.353 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.435 ' CD2' ' OE2' ' A' ' 357' ' ' GLU . 7.5 mt -96.86 -68.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.31 109.337 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 405' ' ' VAL . 12.5 ptpt -43.54 -49.58 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 73.34 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -45.72 -41.84 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 74.53 109.272 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 401' ' ' LEU . 38.3 mm-40 -71.41 -32.0 67.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 75.23 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 351' ' ' LEU . 0.4 OUTLIER -73.78 -4.8 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 73.24 109.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -99.1 -58.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 72.12 110.266 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.608 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -46.06 -44.79 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 75.24 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.486 ' CB ' HD22 ' A' ' 351' ' ' LEU . 4.9 m-85 -63.28 -56.51 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 72.32 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 351' ' ' LEU . 1.1 mm-40 -55.22 -20.77 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 72.12 110.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.25 -23.28 15.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 74.5 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -70.66 -39.32 73.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 71.14 107.984 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 347' ' ' LEU . 4.4 mm? -40.29 -44.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.31 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.51 -39.82 36.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 75.43 109.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.1 mm-40 -63.18 -16.03 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 74.24 110.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -101.64 -67.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 71.14 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.93 -43.18 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 72.33 110.262 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -39.11 -44.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 72.14 109.992 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.35 -53.09 60.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.3 110.31 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 53.9 t -50.25 -58.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 73.21 109.266 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.6 mt -53.15 -33.51 52.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.22 109.29 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' SER . . . . . 0.427 ' C ' ' NH1' ' A' ' 423' ' ' ARG . 4.4 p -74.79 -28.6 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 71.25 110.038 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -148.2 116.01 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 75.25 109.301 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.59 ' H ' ' NE ' ' A' ' 423' ' ' ARG . 0.0 OUTLIER -75.73 -176.42 3.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 73.11 110.312 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 159.29 46.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.505 1.128 . . . . 72.12 110.982 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 64.12 109.252 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.021 -0.832 . . . . 62.23 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.79 40.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.773 . . . . 74.23 111.022 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.06 172.09 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 71.0 109.605 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 40.9 mmm -124.9 157.64 35.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 73.12 110.993 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 14.9 t -100.36 -173.37 2.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 74.42 110.421 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -117.22 -72.24 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 75.32 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 335' ' ' PHE . 64.5 t0 -77.67 144.34 37.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 71.34 109.24 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 346' ' ' ARG . 35.5 m-85 -119.12 63.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 75.14 111.0 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 85.3 p -103.91 -58.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 70.31 110.029 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . 0.414 ' CE1' ' HG ' ' A' ' 338' ' ' LEU . 33.3 p-80 -44.62 -32.72 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 74.34 109.554 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 337' ' ' HIS . 11.4 mt -70.84 156.65 91.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 65.52 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 74.02 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.28 7.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 74.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -98.12 -23.63 15.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.5 110.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 345' ' ' LYS . 27.0 mm100 -98.29 -33.33 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.24 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -47.45 -51.31 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 75.4 110.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . 0.468 ' HG3' ' CD ' ' A' ' 345' ' ' LYS . 9.5 ptm180 -62.2 -21.51 65.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 73.4 110.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' LYS . . . . . 0.468 ' CD ' ' HG3' ' A' ' 344' ' ' ARG . 0.0 OUTLIER -81.57 -41.54 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 74.45 109.305 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' ARG . . . . . 0.738 ' NH2' HE22 ' A' ' 349' ' ' GLN . 0.8 OUTLIER -53.88 -43.74 69.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 70.05 110.298 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.95 -68.22 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 74.3 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' GLN . . . . . 0.415 ' NE2' HD13 ' A' ' 412' ' ' LEU . 58.6 mt-30 -38.16 -38.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 72.52 110.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.738 HE22 ' NH2' ' A' ' 346' ' ' ARG . 7.6 mt-30 -68.12 -60.17 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 64.41 110.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -61.04 -14.27 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 73.14 110.278 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' LEU . . . . . 0.495 ' CD1' ' CG1' ' A' ' 405' ' ' VAL . 15.8 tp -73.21 -50.74 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 65.14 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.74 -36.1 73.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 75.2 110.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.8 mt-10 -71.15 -60.21 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 75.14 110.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . 0.421 ' NH2' ' HG3' ' A' ' 404' ' ' GLU . 3.6 tpt180 -45.01 -42.23 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 72.02 110.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 13.5 t -72.13 -31.98 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 62.42 109.974 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 353' ' ' GLU . 12.5 mtt180 -66.27 -50.96 61.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 74.24 110.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.22 -5.53 32.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 73.2 110.326 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 401' ' ' LEU . 1.9 tt -92.96 -47.75 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 71.44 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -71.81 -15.81 62.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.44 110.33 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.2 -25.95 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 64.23 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -91.08 -30.04 16.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 73.42 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 398' ' ' ILE . 2.0 t -77.15 -25.19 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.45 -24.37 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 70.12 109.28 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 367' ' ' ALA . 6.9 pt20 -104.98 -27.4 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 74.3 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 366' ' ' GLU . 0.0 OUTLIER -46.8 -33.83 4.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 74.24 110.228 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . 0.483 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 2.0 pt-20 -84.99 -25.55 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.24 110.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -76.07 -30.03 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 54.55 109.291 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 394' ' ' THR . 15.2 mt -48.47 -54.65 13.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 73.24 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -59.02 -26.22 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.14 109.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . 0.424 ' O ' ' CG1' ' A' ' 374' ' ' VAL . 22.6 mtpt -78.91 -31.19 45.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 75.22 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' MET . . . . . 0.451 ' O ' ' CD1' ' A' ' 387' ' ' LEU . 61.9 mmm -68.54 -8.91 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 74.43 110.964 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.452 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 14.3 mtpt -90.18 -54.46 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.41 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 35.5 t0 -51.45 -39.1 56.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 72.24 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 375' ' ' TYR . 5.1 m -55.82 -33.47 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.22 109.281 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' TYR . . . . . 0.566 ' CE1' HG23 ' A' ' 374' ' ' VAL . 17.8 m-30 -91.77 -23.91 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 75.24 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.64 -28.46 68.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.03 110.318 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -114.04 -35.74 4.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 73.12 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' THR . . . . . 0.444 ' HB ' ' CE ' ' A' ' 381' ' ' MET . 4.4 m -125.57 84.92 59.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 50.42 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.39 8.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.761 . . . . 73.42 110.983 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -82.02 -1.16 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 73.24 110.318 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' MET . . . . . 0.444 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 5.9 mtt -90.95 -49.91 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 74.21 111.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.408 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -169.52 -158.2 13.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 51.33 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.05 134.64 23.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 70.23 109.31 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.33 8.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 75.13 111.009 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 73.41 109.29 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 15.9 m -92.53 7.72 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 75.43 110.013 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 375' ' ' TYR . 89.3 mt -111.85 -12.29 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 75.32 109.336 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 4.2 mm-40 -72.96 -43.78 8.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 74.24 110.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.95 -8.12 19.83 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.53 1.805 . . . . 71.21 111.0 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -97.4 -38.14 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 75.3 110.278 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 368' ' ' LEU . 24.8 mt -62.27 -68.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 73.24 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 396' ' ' SER . . . -49.34 -23.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.52 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -75.57 -39.71 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.05 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 398' ' ' ILE . 7.8 m -84.83 -16.05 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 71.32 110.408 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -95.62 -27.88 15.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 74.45 109.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 392' ' ' ALA . 49.5 m -92.03 -7.85 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 65.42 110.022 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 72.6 m-20 -97.53 -52.87 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 61.2 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 394' ' ' THR . 79.7 mt -45.65 -42.28 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 73.34 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . 0.407 ' OE2' ' CZ ' ' A' ' 400' ' ' ARG . 0.1 OUTLIER -56.19 -38.31 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.41 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 7.1 mtt-85 -80.29 -31.02 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 75.01 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.482 ' O ' ' CG2' ' A' ' 405' ' ' VAL . 22.8 mt -59.19 -70.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 75.23 109.326 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 405' ' ' VAL . 0.7 OUTLIER -48.77 -55.32 11.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.15 109.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' LEU . . . . . . . . . . . . . 4.6 mp -45.13 -49.08 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 75.12 109.306 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . 0.557 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 13.9 mm-40 -66.53 -31.67 72.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 74.41 110.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . 0.495 ' CG1' ' CD1' ' A' ' 351' ' ' LEU . 7.5 t -76.51 -4.89 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 75.22 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.05 -58.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 71.15 110.298 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 2.9 ptpt -43.18 -44.56 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.45 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 9.8 m-85 -61.08 -59.67 4.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 54.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -53.07 -19.98 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 71.21 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.46 -21.96 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 61.43 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.4 m0 -73.77 -38.97 64.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 74.13 107.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 411' ' ' TRP . 3.7 mm? -39.38 -43.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.43 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.21 27.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 63.25 109.263 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -63.25 -15.01 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 74.32 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -67.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 64.22 109.31 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.454 ' CD ' ' NH2' ' A' ' 344' ' ' ARG . 39.1 mt-10 -38.86 -46.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.34 110.262 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.2 t -39.57 -53.04 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.33 110.031 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' ARG . . . . . 0.423 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 0.6 OUTLIER -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 74.51 110.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 59.2 t -47.08 -62.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 74.53 109.371 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 17.9 mt -44.96 -43.93 9.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 71.23 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.5 t -56.15 -53.02 62.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 73.12 109.997 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -73.18 91.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 74.42 109.272 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -94.28 142.76 27.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 73.44 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -98.61 -20.09 20.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 55.44 111.036 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 64.22 109.304 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.332 -0.247 . . . . 73.43 110.332 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -91.23 -21.41 21.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 55.51 110.3 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -57.87 -43.92 86.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 75.42 110.347 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' ' 347' ' ' LEU . 2.5 ptm180 -74.71 -6.08 46.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 55.12 110.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 345' ' ' LYS . 2.3 tptt -88.54 -9.85 50.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.22 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -84.22 -61.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 62.43 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.685 HD23 ' HE3' ' A' ' 411' ' ' TRP . 0.5 OUTLIER -48.94 -52.74 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 71.34 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.945 ' HG3' HD11 ' A' ' 412' ' ' LEU . 19.4 mt-30 -38.67 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.11 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' GLN . . . . . 0.487 ' HG2' ' HZ1' ' A' ' 345' ' ' LYS . 1.9 mp0 -45.49 -60.16 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 65.22 110.276 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -48.43 -26.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 73.32 110.291 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.772 HD23 ' CB ' ' A' ' 408' ' ' TYR . 1.1 tm? -76.19 -44.73 36.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 62.41 109.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.77 -22.36 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 74.43 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 353' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 356' ' ' ARG . 2.9 mm-40 -90.15 -56.38 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 110.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.503 HH21 ' HG3' ' A' ' 404' ' ' GLU . 1.6 tpt180 -46.88 -24.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.11 110.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.4 t -92.56 -32.34 14.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.31 110.015 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 353' ' ' GLU . 6.3 mmm-85 -62.59 -53.23 57.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.11 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.928 ' OE2' HD21 ' A' ' 401' ' ' LEU . 2.4 pt-20 -63.45 -12.55 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 70.53 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 358' ' ' LEU . 3.3 tt -85.52 -48.69 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 53.11 109.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.07 -14.09 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 73.3 110.258 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 360' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -81.55 -31.57 32.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 73.13 109.302 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 365' ' ' ARG . 5.5 mt-10 -90.16 -22.64 21.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 72.52 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.414 ' HA ' ' CB ' ' A' ' 365' ' ' ARG . 3.1 t -78.95 -37.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 43.45 109.312 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.61 -30.57 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 44.52 109.319 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 10.5 pt20 -104.66 -23.95 13.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 62.23 110.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.543 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -38.85 -48.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 62.05 110.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -87.8 -23.42 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 64.12 110.248 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -70.06 -20.2 63.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 33.04 109.303 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 391' ' ' ILE . 9.7 mt -58.63 -55.13 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.4 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 369' ' ' LYS . . . . . 0.416 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 5.3 mtmp? -49.46 -36.88 24.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.44 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.939 ' O ' HG13 ' A' ' 374' ' ' VAL . 15.1 mtmt -76.31 -32.92 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 64.21 109.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.572 ' O ' HG22 ' A' ' 374' ' ' VAL . 52.2 mmm -66.84 -8.11 26.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 75.11 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.526 ' HD2' HD11 ' A' ' 391' ' ' ILE . 10.2 mtpt -90.78 -56.61 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.13 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 373' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 9.5 t0 -50.42 -41.66 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 74.3 109.249 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.939 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.4 m -50.27 -35.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.02 109.291 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.802 ' CD1' HG23 ' A' ' 374' ' ' VAL . 20.0 m-30 -90.24 -33.01 16.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 64.44 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.72 -27.04 58.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 74.12 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 377' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.8 OUTLIER -114.75 -35.84 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 54.53 109.301 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.2 m -131.53 69.22 81.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 72.24 110.397 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 379' ' ' PRO . . . . . 0.477 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -74.97 0.95 8.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.499 1.789 . . . . 51.14 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.4 ' HG2' HG22 ' A' ' 378' ' ' THR . 6.2 pt20 -71.47 -7.24 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 60.14 110.251 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -113.18 -4.84 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 73.41 110.976 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 168.12 171.56 34.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 53.35 110.979 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -120.08 143.43 35.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 75.42 109.292 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 74.22 111.02 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -68.55 -13.67 62.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 62.02 109.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 9.8 t -100.63 8.7 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 71.21 110.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.662 HD11 ' CE2' ' A' ' 375' ' ' TYR . 97.6 mt -114.22 -1.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 74.02 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.92 -47.98 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.24 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.94 -6.56 18.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 71.04 111.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -99.44 -33.74 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.5 110.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.547 ' HA ' HD12 ' A' ' 368' ' ' LEU . 24.0 mt -65.51 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.24 109.29 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 64.13 109.359 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.29 -38.8 49.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 61.05 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.614 ' O ' HD12 ' A' ' 398' ' ' ILE . 3.4 m -79.38 -18.39 52.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 63.54 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 3.0 mm? -93.6 -28.22 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 73.31 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 41.2 m -90.92 -20.54 22.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.22 109.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 399' ' ' GLU . 79.3 m-20 -84.22 -51.91 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 73.51 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 394' ' ' THR . 52.5 mt -44.81 -27.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 75.43 109.25 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.5 OUTLIER -75.85 -57.88 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 71.52 110.254 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 400' ' ' ARG . 4.8 ptp180 -66.62 -9.39 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.35 110.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.928 HD21 ' OE2' ' A' ' 357' ' ' GLU . 4.2 mt -89.91 -67.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 74.25 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' A' ' 358' ' ' LEU . 6.4 ptmt -49.92 -46.23 51.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 71.24 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -45.77 -48.67 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 74.01 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.503 ' HG3' HH21 ' A' ' 354' ' ' ARG . 43.4 mm-40 -68.29 -31.81 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.24 110.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.494 ' HA ' ' CD2' ' A' ' 351' ' ' LEU . 62.3 t -73.42 -5.09 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 71.51 109.284 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -99.38 -58.4 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 62.22 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.3 ptpp? -45.78 -43.57 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 72.23 109.26 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.772 ' CB ' HD23 ' A' ' 351' ' ' LEU . 4.5 m-85 -63.14 -59.33 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.42 110.955 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.54 -20.59 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.2 110.289 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.37 -24.1 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 64.11 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.685 ' HE3' HD23 ' A' ' 347' ' ' LEU . 43.5 m0 -69.3 -40.67 77.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.956 -1.127 . . . . 75.22 107.956 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.945 HD11 ' HG3' ' A' ' 348' ' ' GLN . 4.1 mm? -40.47 -44.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.12 109.331 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.05 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 73.41 109.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.84 -15.1 62.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 75.04 110.278 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -102.05 -57.65 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 60.44 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 419' ' ' VAL . 6.7 mt-10 -49.21 -34.0 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 71.12 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 38.3 t -42.66 -35.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 71.25 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.06 -44.31 96.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 73.11 110.307 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 416' ' ' GLU . 40.7 t -64.94 -61.31 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 61.32 109.263 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 73.21 109.332 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.353 -0.24 . . . . 75.53 110.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.21 -18.08 18.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 74.21 110.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -69.27 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.14 110.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 10.3 ptm180 -70.79 -19.99 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 42.23 110.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -65.3 -44.19 88.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 63.12 109.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 346' ' ' ARG . 0.4 OUTLIER -59.1 -66.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 73.41 110.256 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 411' ' ' TRP . 3.3 mt -34.6 -67.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 62.43 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.766 ' CG ' HD11 ' A' ' 412' ' ' LEU . 32.9 mt-30 -40.49 -55.13 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 64.42 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -52.82 -62.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 72.34 110.324 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -58.38 -17.08 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 64.02 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 1.026 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.6 tt -68.64 -51.91 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 54.24 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 352' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 17.5 tt0 -64.4 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 61.5 110.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.69 -48.9 70.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 73.11 110.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.966 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.9 tpt180 -66.2 -37.47 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 72.44 110.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.7 t -76.39 -2.5 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.14 110.018 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 3.0 mmt-85 -98.24 -20.32 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 72.21 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.709 ' OE2' HD21 ' A' ' 401' ' ' LEU . 5.4 pt-20 -102.16 -16.47 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 72.22 110.3 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.95 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -75.24 -52.23 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 72.33 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -63.87 -13.18 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 74.13 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -89.2 -34.04 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 72.11 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 365' ' ' ARG . 9.1 mm-40 -82.17 -29.79 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.32 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 3.1 t -79.16 -33.9 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.03 109.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.88 -31.74 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 52.22 109.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 10.3 pt20 -103.92 -22.78 13.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.41 110.311 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.71 ' NH1' HD11 ' A' ' 395' ' ' LEU . 0.0 OUTLIER -38.73 -51.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 73.35 110.299 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.08 -23.94 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.41 110.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -68.66 -22.94 64.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 52.24 109.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 391' ' ' ILE . 12.3 mt -57.62 -53.76 54.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 74.53 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -54.0 -31.31 50.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 52.24 109.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.928 ' O ' HG13 ' A' ' 374' ' ' VAL . 18.9 mtmt -72.06 -38.08 69.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 72.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.656 ' O ' HG22 ' A' ' 374' ' ' VAL . 60.1 mmm -62.16 -12.02 17.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 35.24 111.001 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.556 ' HD2' HD11 ' A' ' 391' ' ' ILE . 1.1 mtpm? -88.58 -54.84 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 72.12 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -51.2 -40.89 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 70.23 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.928 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.4 m -53.48 -33.35 21.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.03 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.815 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.5 m-30 -92.21 -23.11 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.22 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.45 -26.4 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 53.35 110.294 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -36.64 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 70.33 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.851 HG22 ' HG2' ' A' ' 380' ' ' GLN . 8.3 m -128.49 87.99 53.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 73.11 110.37 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.28 9.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 62.51 111.06 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.851 ' HG2' HG22 ' A' ' 378' ' ' THR . 3.0 pt20 -77.8 -6.8 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 72.41 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 9.8 mtt -89.61 -51.15 5.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 71.41 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.603 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -167.8 -149.82 6.26 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.49 1.119 . . . . 75.44 110.987 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.43 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 1.7 t0 -134.95 139.75 33.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 73.41 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 74.3 110.976 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.9 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.235 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 19.3 m -99.92 8.04 44.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.42 109.995 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 391' ' ' ILE . 14.1 mt -116.19 -0.51 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.44 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.6 mt-10 -79.5 -48.33 1.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.22 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -7.83 19.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 53.11 111.012 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.473 ' HG2' HD13 ' A' ' 368' ' ' LEU . 7.0 tt0 -98.94 -34.73 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 64.51 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 387' ' ' LEU . 10.8 mt -64.54 -62.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.43 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.17 -21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 54.31 109.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.76 -38.48 46.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.22 110.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.727 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.5 m -79.82 -18.48 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 72.33 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.71 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.2 mm? -92.56 -27.89 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 65.31 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 28.4 t -94.19 -7.03 43.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 62.31 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -100.0 -32.37 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 62.34 109.361 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 394' ' ' THR . 31.0 mt -66.75 -25.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 71.53 109.374 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.514 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -77.46 -23.43 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 74.45 110.318 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 8.4 mtp180 -96.45 -27.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.41 110.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.999 ' O ' HG23 ' A' ' 405' ' ' VAL . 51.0 mt -65.15 -72.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 74.23 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 10.5 ptmt -49.3 -47.34 47.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 61.43 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.1 mm? -52.01 -50.5 61.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 72.04 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.628 ' HG3' HH21 ' A' ' 354' ' ' ARG . 38.0 mm-40 -65.56 -30.83 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 53.51 110.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 401' ' ' LEU . 9.6 t -78.93 -4.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 75.54 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 406' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 407' ' ' LYS . 10.9 mt-30 -98.83 -58.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 64.11 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -40.48 -46.85 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 70.51 109.257 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.4 m-85 -60.53 -60.02 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.15 111.027 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 1.026 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.3 mt-10 -54.19 -19.15 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 72.05 110.354 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.23 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 51.04 109.337 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.1 m0 -74.88 -40.2 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 70.21 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.766 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.9 mm? -38.38 -43.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 55.21 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.54 -41.6 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 62.3 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -61.44 -15.53 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 51.15 110.258 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.93 -68.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 70.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.499 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 37.4 mt-10 -38.83 -42.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 74.43 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 12.4 t -41.16 -49.64 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 72.43 109.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -56.7 -41.09 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 53.44 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 416' ' ' GLU . 47.9 t -60.78 -66.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 53.33 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 75.34 109.288 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.3 -0.259 . . . . 71.23 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -98.28 -13.56 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 72.41 110.315 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -86.29 -46.96 9.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 62.54 110.323 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.829 ' NH2' HD12 ' A' ' 412' ' ' LEU . 3.5 ptm85 -59.1 -22.39 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 71.54 110.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 346' ' ' ARG . 0.5 OUTLIER -64.02 -42.01 97.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 64.04 109.299 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 347' ' ' LEU . 20.2 mmm180 -55.67 -59.44 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 73.51 110.3 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.829 HD22 ' HE3' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -36.07 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 62.44 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.632 ' HG2' HD11 ' A' ' 412' ' ' LEU . 27.2 mt-30 -38.01 -57.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 73.25 110.335 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -47.78 -64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 73.02 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 408' ' ' TYR . 29.6 mm-40 -60.73 -15.96 34.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 75.2 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.718 HD11 ' HG2' ' A' ' 409' ' ' GLU . 0.9 OUTLIER -73.02 -38.41 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 72.51 109.296 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -89.79 -6.28 56.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 74.42 110.271 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -96.27 -42.47 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 73.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.95 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.5 tpt180 -68.71 -39.35 80.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 75.34 110.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 9.7 p -76.04 -4.59 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 53.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -89.84 -29.96 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 73.1 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.599 ' HG3' HD22 ' A' ' 401' ' ' LEU . 4.2 pt-20 -98.04 -20.95 17.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 75.14 110.325 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.846 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.2 OUTLIER -65.61 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.04 109.293 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 43.7 tp60 -45.94 -26.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 54.3 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -71.86 -61.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 74.43 109.283 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 361' ' ' GLU . 0.2 OUTLIER -50.5 -41.88 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 74.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.756 HG23 HG12 ' A' ' 398' ' ' ILE . 3.0 t -75.14 -36.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 73.25 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.2 OUTLIER -58.51 -41.55 85.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 65.51 109.277 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.675 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 8.7 pt20 -92.7 -23.11 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 72.1 110.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.806 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.1 OUTLIER -38.99 -54.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 63.34 110.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -80.23 -22.94 41.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 73.55 110.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -69.66 -23.81 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 53.21 109.303 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 391' ' ' ILE . 15.9 mt -56.56 -52.51 64.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 65.13 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 369' ' ' LYS . . . . . 0.418 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 1.6 mtpm? -53.04 -30.08 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 65.21 109.273 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.915 ' O ' HG13 ' A' ' 374' ' ' VAL . 21.5 mtpt -81.79 -31.56 31.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 64.22 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.584 ' O ' HG22 ' A' ' 374' ' ' VAL . 57.8 mmm -69.47 -6.79 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 75.44 111.037 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.6 mtpt -90.93 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 52.35 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 373' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 15.1 t0 -50.42 -41.4 52.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 75.25 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.915 HG13 ' O ' ' A' ' 370' ' ' LYS . 9.5 m -50.66 -35.12 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 75.21 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.812 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.7 m-30 -90.11 -32.58 16.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 74.42 110.985 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -57.06 -27.73 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 61.43 110.338 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 377' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.1 OUTLIER -114.12 -35.04 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 64.02 109.33 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.455 ' O ' ' CG ' ' A' ' 381' ' ' MET . 55.0 m -132.03 69.06 80.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 71.14 110.43 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 379' ' ' PRO . . . . . 0.485 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.27 7.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 62.11 110.998 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -72.68 -3.99 28.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 64.44 110.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.455 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.84 -4.24 11.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.21 111.004 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 169.14 175.55 38.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 63.23 110.996 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.08 142.63 41.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 60.45 109.276 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.64 10.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.44 111.012 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.33 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.34 109.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 3.8 t -100.04 8.96 43.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 41.33 110.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.733 ' O ' HD12 ' A' ' 391' ' ' ILE . 96.0 mt -114.27 -2.4 13.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 53.4 109.342 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.7 mt-10 -78.03 -47.97 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 75.01 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.09 -6.75 18.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 73.51 110.958 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -98.24 -34.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 64.4 110.276 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 387' ' ' LEU . 7.4 mt -61.57 -65.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 61.14 109.265 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.56 -18.81 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 71.43 109.338 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.416 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 11.6 tt0 -78.48 -36.71 44.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 62.11 110.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.496 ' OG1' HD11 ' A' ' 368' ' ' LEU . 4.5 m -68.79 -43.8 74.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 61.34 110.398 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.1 -48.82 80.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 55.1 109.286 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 19.2 m -69.88 -21.69 63.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 61.44 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.784 ' O ' HD12 ' A' ' 401' ' ' LEU . 89.7 m-20 -90.55 -13.76 33.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 74.44 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.806 HD11 ' HB2' ' A' ' 365' ' ' ARG . 13.2 mt -87.43 -29.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.11 109.291 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.57 -17.91 34.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 61.45 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.9 ptp180 -92.06 -7.87 47.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 63.22 110.346 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 1.021 ' O ' HG23 ' A' ' 405' ' ' VAL . 12.4 mt -96.74 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 62.25 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.565 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.0 OUTLIER -45.54 -52.83 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 72.13 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.69 -52.2 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 53.21 109.296 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.495 ' HG3' HH21 ' A' ' 354' ' ' ARG . 64.2 mm-40 -66.75 -27.99 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 62.01 110.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 401' ' ' LEU . 11.3 t -77.7 -5.08 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 15.41 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -98.89 -58.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.13 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.26 -43.23 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 75.41 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 350' ' ' GLN . 9.0 m-85 -62.25 -60.16 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.53 110.981 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.718 ' HG2' HD11 ' A' ' 351' ' ' LEU . 9.1 mm-40 -54.02 -19.76 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 65.45 110.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.01 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.44 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.829 ' HE3' HD22 ' A' ' 347' ' ' LEU . 42.3 m0 -73.25 -42.29 62.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 73.12 107.99 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.829 HD12 ' NH2' ' A' ' 344' ' ' ARG . 4.5 mm? -40.53 -43.41 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 54.2 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.91 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 54.24 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.3 mm-40 -65.02 -14.27 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 74.42 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.6 -65.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 62.32 109.28 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.521 ' CG ' ' NH1' ' A' ' 344' ' ' ARG . 0.2 OUTLIER -38.85 -57.14 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 74.25 110.298 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 t -43.6 -48.75 7.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 73.42 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.34 -44.45 84.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 61.3 110.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 67.0 t -55.2 -73.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 70.11 109.305 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 71.33 109.31 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.308 -0.256 . . . . 62.21 110.308 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 342' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 345' ' ' LYS . 9.5 mt-30 -90.68 -37.05 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 64.12 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -42.01 -29.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.53 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.847 ' NH2' HG21 ' A' ' 419' ' ' VAL . 7.3 ptp180 -87.23 -38.99 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 64.1 110.336 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.7 ptmt -59.79 -34.75 73.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 72.21 109.278 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 347' ' ' LEU . 11.2 mmt180 -63.1 -54.88 30.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 74.22 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.771 HD13 ' CB ' ' A' ' 411' ' ' TRP . 7.2 mt -39.69 -69.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 71.33 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.729 ' HG2' HD11 ' A' ' 412' ' ' LEU . 27.3 mt-30 -40.62 -65.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 75.23 110.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 352' ' ' GLU . 0.8 OUTLIER -41.81 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 65.4 110.331 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 350' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 408' ' ' TYR . 9.1 mm100 -46.32 -25.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 72.52 110.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 1.063 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.0 OUTLIER -68.91 -45.59 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.4 109.285 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 352' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 349' ' ' GLN . 2.1 tt0 -69.1 -28.99 66.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.41 110.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -72.8 -57.37 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 64.43 110.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.726 ' HB3' HG23 ' A' ' 405' ' ' VAL . 22.2 mmt-85 -60.42 -31.74 70.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.03 110.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.5 t -78.51 -35.32 46.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -37.82 76.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 62.34 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.686 ' CG ' HD21 ' A' ' 401' ' ' LEU . 6.6 pt-20 -86.43 -6.47 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 72.31 110.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.953 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.0 OUTLIER -88.76 -41.87 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 74.35 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.635 ' N ' HD13 ' A' ' 358' ' ' LEU . 69.7 tp60 -66.06 -9.83 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.01 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -12.8 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 72.33 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.57 -41.51 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.24 110.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.667 HG23 HG12 ' A' ' 398' ' ' ILE . 1.9 t -77.24 -19.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 74.33 109.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 2.9 t0 -76.76 -25.81 53.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 65.24 109.252 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 367' ' ' ALA . 13.8 pt20 -105.35 -25.32 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 65.42 110.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.884 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -44.23 -37.69 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 65.33 110.287 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 366' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 365' ' ' ARG . 3.7 pt-20 -85.74 -25.89 26.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.45 110.25 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -67.04 -45.63 76.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 52.15 109.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.62 HD22 ' OE1' ' A' ' 390' ' ' GLN . 10.3 mt -40.1 -61.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.22 109.253 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -45.76 -41.51 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 53.44 109.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.946 ' O ' HG13 ' A' ' 374' ' ' VAL . 21.7 mtmt -65.66 -39.97 91.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.02 109.277 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.687 ' O ' HG22 ' A' ' 374' ' ' VAL . 38.5 mmm -60.47 -13.38 13.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 74.24 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.73 ' HD2' HD11 ' A' ' 391' ' ' ILE . 16.2 mtpt -88.41 -54.53 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 45.43 109.235 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 373' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.9 t0 -51.55 -40.5 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 71.11 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.946 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.4 m -53.26 -33.05 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 73.02 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.902 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.8 m-30 -92.73 -23.72 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 70.01 111.011 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.15 -27.35 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 73.32 110.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 377' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 1.1 ptmt -113.89 -35.59 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.53 109.302 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.856 HG22 ' HG2' ' A' ' 380' ' ' GLN . 7.8 m -127.98 86.24 58.65 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.54 110.383 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 70.13 111.029 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.856 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.9 pt20 -81.38 -2.46 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 64.44 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 381' ' ' MET . . . . . . . . . . . . . 7.5 mtt -89.75 -50.67 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 50.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.458 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -166.61 -141.02 3.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 70.14 111.023 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.46 132.91 15.62 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.11 109.279 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.45 11.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 63.32 111.057 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 64.11 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 29.7 t -99.69 4.87 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 63.23 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.902 HD11 ' CE2' ' A' ' 375' ' ' TYR . 19.1 mt -110.54 -2.84 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 74.21 109.32 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -78.01 -47.96 2.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 71.52 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.04 -5.77 17.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 42.03 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.62 ' OE1' HD22 ' A' ' 368' ' ' LEU . 27.2 tt0 -99.38 -32.03 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.2 110.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.73 HD11 ' HD2' ' A' ' 372' ' ' LYS . 8.5 mt -66.08 -71.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 72.43 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 392' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 391' ' ' ILE . . . -47.77 -24.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 54.33 109.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 7.8 tt0 -72.91 -40.59 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 72.21 110.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 391' ' ' ILE . 89.5 m -75.9 -46.42 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 72.43 110.39 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.476 HD23 HG23 ' A' ' 391' ' ' ILE . 3.7 mm? -56.86 -53.37 58.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.42 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 11.4 t -63.73 -23.19 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 71.51 110.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 58.5 m-20 -84.76 -20.63 30.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 73.21 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.884 HD11 ' HB3' ' A' ' 365' ' ' ARG . 38.2 mt -79.57 -47.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 75.25 109.244 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.7 OUTLIER -62.79 -36.08 81.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 74.33 110.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptp180 -79.97 -7.16 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 71.55 110.299 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.953 HD13 ' HA ' ' A' ' 358' ' ' LEU . 3.6 mt -96.77 -75.13 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 71.04 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.405 ' HD2' HG22 ' A' ' 398' ' ' ILE . 3.4 ptmm? -40.21 -42.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 64.42 109.289 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.3 OUTLIER -52.52 -51.61 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 74.42 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.7 mm-40 -64.03 -32.05 73.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.726 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.0 t -76.94 -5.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 71.21 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -99.29 -58.01 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.13 110.287 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -43.04 -44.94 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 63.04 109.3 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 350' ' ' GLN . 8.4 m-85 -61.51 -56.8 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 72.44 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 1.063 ' CG ' HD11 ' A' ' 351' ' ' LEU . 5.2 mt-10 -53.91 -21.61 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.21 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.49 -20.73 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 61.24 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.771 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.7 m0 -74.18 -38.87 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 71.03 108.028 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.729 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.4 mm? -39.73 -44.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 74.33 109.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 417' ' ' SER . . . -78.84 -40.9 31.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 73.51 109.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.8 mm-40 -62.16 -16.07 50.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 72.43 110.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.14 -68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.54 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 419' ' ' VAL . 8.8 mt-10 -42.36 -50.12 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 61.44 110.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 413' ' ' ALA . 38.8 t -42.52 -53.99 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.03 110.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -53.29 -35.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 74.51 110.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.847 HG21 ' NH2' ' A' ' 344' ' ' ARG . 35.0 t -70.64 -57.79 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 65.14 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 419' ' ' VAL . 60.1 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 61.41 109.342 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' GLU . . . . . 0.725 ' HG3' HG11 ' A' ' 419' ' ' VAL . 13.3 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.322 -0.251 . . . . 74.21 110.322 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 345' ' ' LYS . 29.2 mm100 -97.65 -44.98 6.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 71.2 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -42.91 -39.34 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 61.22 110.265 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 412' ' ' LEU . 0.4 OUTLIER -76.45 -36.25 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 54.52 110.332 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.0 tppt? -54.16 -30.37 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 75.25 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -77.23 -37.39 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 64.43 110.248 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' A' ' 411' ' ' TRP . 46.5 mt -54.47 -55.04 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 74.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.697 ' CG ' HD11 ' A' ' 412' ' ' LEU . 31.8 mt-30 -45.14 -38.83 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 41.43 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -70.88 -54.46 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 75.21 110.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.41 -13.77 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 72.35 110.352 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.879 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.2 tt -72.0 -58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 71.32 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.37 -27.69 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 70.3 110.285 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.27 -62.07 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.32 110.331 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.935 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.6 tpt180 -48.63 -37.2 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.13 110.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.7 t -70.48 -46.98 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -45.86 -34.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 64.11 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 361' ' ' GLU . 3.6 mm-40 -90.07 -34.28 15.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 70.14 110.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 358' ' ' LEU . 0.6 OUTLIER -53.51 -51.75 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.02 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 40.8 tp60 -63.07 -29.87 71.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 73.4 110.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -65.97 -53.8 34.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.52 109.327 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -64.54 -39.28 93.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 72.14 110.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.844 HG23 HG12 ' A' ' 398' ' ' ILE . 1.6 t -76.27 -19.63 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.31 109.315 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.7 OUTLIER -76.38 -26.4 55.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.01 109.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.545 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 11.4 pt20 -104.91 -24.65 12.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 65.22 110.273 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.851 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.47 -36.84 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 72.23 110.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 366' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.3 pt-20 -91.84 -22.57 20.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 72.1 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -78.4 -18.6 54.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 65.53 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.539 HD11 ' OG1' ' A' ' 394' ' ' THR . 7.1 mt -57.91 -57.08 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 74.24 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -48.48 -34.25 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 63.14 109.274 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 1.006 ' O ' HG13 ' A' ' 374' ' ' VAL . 10.3 mtmm -76.71 -36.83 56.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 52.35 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.553 ' O ' HG22 ' A' ' 374' ' ' VAL . 50.0 mmm -61.68 -11.9 13.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.11 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.464 ' CE ' HD11 ' A' ' 391' ' ' ILE . 21.0 mtpt -91.55 -56.42 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 75.32 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 373' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 20.5 t0 -50.74 -40.68 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 62.33 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 1.006 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.8 m -52.05 -35.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 54.44 109.269 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.786 ' CD1' HG23 ' A' ' 374' ' ' VAL . 21.1 m-30 -89.23 -31.07 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 74.42 111.069 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.21 -28.48 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 73.23 110.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 377' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.3 OUTLIER -113.7 -34.35 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 72.54 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 380' ' ' GLN . 6.5 m -131.69 67.59 79.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 72.33 110.413 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.0 1.33 7.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 54.5 111.015 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.476 ' HG2' HG22 ' A' ' 378' ' ' THR . 4.1 pt20 -72.9 -3.8 28.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 74.22 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.64 -4.55 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 64.53 110.975 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.91 170.19 32.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 44.23 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.42 142.75 31.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 70.02 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.38 11.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 64.44 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.54 -14.33 57.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.23 109.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.8 m -101.02 8.95 42.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.31 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.762 HD11 ' CE2' ' A' ' 375' ' ' TYR . 87.8 mt -115.35 -1.28 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 73.14 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.27 -47.86 2.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 63.3 110.342 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.94 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 74.02 111.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -99.45 -34.41 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 61.54 110.34 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 368' ' ' LEU . 20.8 mt -60.46 -60.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.31 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.01 -16.54 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 44.21 109.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.87 -34.52 24.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 53.33 110.292 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.539 ' OG1' HD11 ' A' ' 368' ' ' LEU . 16.0 m -77.11 -42.71 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.52 110.356 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.01 -44.15 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 74.04 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 396' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 16.2 m -74.16 -19.72 60.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 33.34 110.023 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.884 ' O ' HD12 ' A' ' 401' ' ' LEU . 35.5 m-20 -87.25 -16.04 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 73.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.851 HD11 ' HB3' ' A' ' 365' ' ' ARG . 20.0 mt -87.62 -44.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 61.41 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.836 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -68.37 -23.06 64.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.04 110.298 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.6 ptm180 -88.95 -37.85 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 73.11 110.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 397' ' ' ASN . 2.7 mt -67.96 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.21 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 358' ' ' LEU . 10.6 ptmt -48.07 -42.47 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.41 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.9 mm? -58.09 -47.92 81.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 65.11 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.714 ' HG3' HH21 ' A' ' 354' ' ' ARG . 60.3 mm-40 -60.91 -29.13 69.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 72.22 110.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.935 HG22 ' HB3' ' A' ' 354' ' ' ARG . 2.2 t -90.81 -4.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -98.65 -13.25 20.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 72.13 110.306 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -91.69 -41.21 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 63.5 109.285 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 20.1 m-85 -61.03 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 74.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.879 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.7 mt-10 -54.1 -19.96 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.53 110.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.55 -21.23 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 55.21 109.274 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.63 -40.34 63.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 72.41 107.996 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.697 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -39.84 -43.2 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 72.25 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.97 -39.63 29.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 30.34 109.347 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.2 mm-40 -63.84 -15.45 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.32 110.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.77 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 62.13 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.462 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 3.2 mt-10 -38.82 -46.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.22 110.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 27.4 t -43.22 -49.63 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.24 109.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -57.09 -37.01 71.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 65.04 110.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.725 HG11 ' HG3' ' A' ' 341' ' ' GLU . 40.3 t -66.46 -59.11 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 54.51 109.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 34.2 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 72.44 109.264 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.289 -0.263 . . . . 53.34 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -4.37 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 71.05 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -89.18 -35.06 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 75.22 110.305 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.498 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.0 ptm180 -70.01 -6.09 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.31 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -77.2 -44.95 28.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.1 109.271 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -69.52 -34.89 74.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 65.34 110.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 411' ' ' TRP . 17.1 mt -52.13 -71.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 53.41 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.737 ' CG ' HD11 ' A' ' 412' ' ' LEU . 44.1 mt-30 -41.03 -46.52 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.13 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 349' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 351' ' ' LEU . 22.4 mt-30 -57.36 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.5 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -44.96 -25.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 62.42 110.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.812 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.7 tt -58.26 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 62.15 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.76 -46.41 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 71.23 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -57.86 -39.35 77.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.25 110.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.967 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.3 tpt180 -67.62 -27.74 67.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 71.03 110.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 35.8 t -94.62 -5.89 44.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.11 109.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -85.95 -28.13 24.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 71.45 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.824 ' OE2' HD21 ' A' ' 401' ' ' LEU . 0.5 OUTLIER -100.07 -18.04 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.23 110.326 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.972 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.3 tt -64.74 -60.49 3.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 74.42 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 53.8 tp60 -49.45 -26.14 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 65.34 110.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -66.7 -49.15 67.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 72.02 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.514 ' OE1' HD11 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -68.71 -42.05 78.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 70.41 110.329 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.826 HG23 HG12 ' A' ' 398' ' ' ILE . 2.3 t -72.93 -24.15 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 64.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.5 OUTLIER -65.98 -33.94 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.1 109.285 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.533 ' OE1' HD21 ' A' ' 368' ' ' LEU . 2.3 pt20 -104.03 -18.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 72.15 110.3 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.738 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.66 -44.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 72.3 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.72 -25.37 26.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.1 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -61.17 -40.95 95.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 51.54 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.533 HD21 ' OE1' ' A' ' 364' ' ' GLN . 5.0 mt -50.58 -54.35 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 63.21 109.325 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -49.54 -24.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 75.21 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 1.003 ' O ' HG13 ' A' ' 374' ' ' VAL . 18.6 mtmm -91.24 -31.06 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.31 109.366 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.599 ' O ' ' CE2' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -63.5 -10.39 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 73.22 111.013 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -94.36 -59.03 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.25 109.292 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 373' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.5 t70 -47.91 -34.07 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 70.11 109.331 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 1.003 HG13 ' O ' ' A' ' 370' ' ' LYS . 18.1 m -60.05 -39.58 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 62.41 109.287 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.68 ' CD1' HG23 ' A' ' 374' ' ' VAL . 17.5 m-85 -85.58 -19.89 30.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 70.54 110.981 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.9 -31.15 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 65.31 110.304 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 377' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -113.0 -34.4 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 52.31 109.285 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.824 HG22 ' HG2' ' A' ' 380' ' ' GLN . 33.9 m -126.61 86.12 59.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.22 110.396 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.58 8.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 62.2 111.046 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.824 ' HG2' HG22 ' A' ' 378' ' ' THR . 6.7 pt20 -79.0 2.41 20.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 71.34 110.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 9.9 mtm -103.17 -47.87 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 74.3 111.022 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.654 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -176.19 -157.68 17.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 75.12 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.503 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 33.2 m-20 -122.0 141.3 33.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.2 Cg_endo -75.01 -27.58 9.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 73.11 110.992 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -73.79 -4.58 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.34 109.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 27.0 t -97.78 7.18 46.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.5 109.992 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 391' ' ' ILE . 1.4 mt -115.9 -0.34 12.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 70.42 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.6 OUTLIER -74.05 -45.93 6.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.23 110.318 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.56 21.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 71.12 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.404 ' HG2' HD13 ' A' ' 368' ' ' LEU . 16.8 tt0 -99.49 -33.28 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 75.23 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 387' ' ' LEU . 11.2 mt -64.78 -59.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 41.14 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.09 -17.02 22.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 65.35 109.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.66 -35.25 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 64.11 110.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.492 HG21 ' HA ' ' A' ' 365' ' ' ARG . 2.4 m -70.28 -42.92 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.31 110.391 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 395' ' ' LEU . 4.0 mm? -61.41 -54.61 41.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 73.01 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 396' ' ' SER . . . . . 0.416 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 1.1 m -64.44 -19.44 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 72.24 109.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.835 ' O ' HD12 ' A' ' 401' ' ' LEU . 68.7 m-20 -91.84 -12.21 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 62.51 109.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.826 HG12 HG23 ' A' ' 362' ' ' VAL . 15.7 mt -93.7 -34.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 71.03 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.3 OUTLIER -79.73 -23.15 42.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 75.14 110.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.5 ptm180 -91.45 -7.14 51.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 75.45 110.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.996 ' O ' HG23 ' A' ' 405' ' ' VAL . 9.2 mt -96.65 -61.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 55.3 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.498 ' HB3' HD11 ' A' ' 358' ' ' LEU . 7.8 ptmm? -53.64 -52.85 58.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 74.13 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.32 -51.41 11.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 65.42 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.726 ' HG3' HH21 ' A' ' 354' ' ' ARG . 72.5 mm-40 -61.83 -32.51 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.21 110.33 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 401' ' ' LEU . 11.2 t -77.69 -5.1 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 63.24 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.26 -58.0 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 62.25 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.84 -44.95 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 74.44 109.287 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 12.5 m-85 -60.7 -60.51 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.3 110.983 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.812 ' CG ' HD11 ' A' ' 351' ' ' LEU . 6.8 mt-10 -54.1 -19.22 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 54.41 110.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.5 -20.96 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 62.41 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -74.72 -40.9 61.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 73.04 108.037 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.737 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.0 mm? -39.43 -42.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.3 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.76 -40.97 24.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.21 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.446 ' O ' ' NE ' ' A' ' 418' ' ' ARG . 0.8 OUTLIER -62.22 -15.85 49.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.22 110.339 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.88 -65.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 72.24 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.498 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.5 mt-10 -40.28 -49.72 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 74.45 110.349 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.9 t -39.21 -51.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.51 110.015 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 418' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 2.9 mpt_? -71.49 -47.75 53.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.42 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 57.8 t -40.68 -66.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 71.01 109.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 75.52 109.295 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.322 -0.251 . . . . 73.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -98.05 -23.3 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 34.2 110.298 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -57.9 -33.97 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 75.5 110.312 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.469 ' CD ' ' HG2' ' A' ' 416' ' ' GLU . 6.7 ptm180 -86.74 -6.11 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 75.12 110.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 345' ' ' LYS . 4.0 tptt -82.71 -23.12 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.14 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -86.8 -35.93 18.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 71.4 110.297 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.559 HD13 ' HB2' ' A' ' 411' ' ' TRP . 35.6 mt -55.08 -58.93 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 64.33 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.634 ' CG ' HD11 ' A' ' 412' ' ' LEU . 22.5 mt-30 -38.93 -61.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 75.32 110.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.72 -61.51 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 54.25 110.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -51.95 -20.76 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.325 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 1.041 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -70.49 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 63.23 109.328 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -52.95 -20.25 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 74.21 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 356' ' ' ARG . 5.1 mm-40 -78.26 -69.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 65.04 110.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.786 ' HB3' HG23 ' A' ' 405' ' ' VAL . 8.6 mmt-85 -44.79 -26.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.42 110.25 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.434 ' HA ' HG21 ' A' ' 405' ' ' VAL . 1.8 p -85.13 -39.93 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 44.33 109.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 353' ' ' GLU . 13.3 mtp180 -61.26 -41.03 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.11 110.284 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.928 ' OE1' HD21 ' A' ' 401' ' ' LEU . 2.9 pt-20 -82.33 1.92 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 71.42 110.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.747 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.8 OUTLIER -86.97 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.03 109.277 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 56.2 tp60 -51.13 -21.55 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 71.15 110.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -65.21 -55.98 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.45 109.308 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -68.28 -33.32 74.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 71.32 110.319 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.749 HG23 HG12 ' A' ' 398' ' ' ILE . 2.6 t -78.67 -18.07 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.22 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -79.71 -28.69 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 62.31 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.498 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 9.0 pt20 -103.23 -22.58 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.44 110.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.534 ' HA ' HG21 ' A' ' 394' ' ' THR . 0.5 OUTLIER -39.01 -62.92 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 71.21 110.275 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.68 -21.53 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 75.15 110.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -67.62 -35.11 78.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.34 109.348 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 391' ' ' ILE . 17.0 mt -50.67 -44.05 57.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 60.1 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -54.27 -38.9 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.51 109.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.958 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.1 OUTLIER -70.05 -36.31 74.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 55.22 109.259 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.606 ' O ' HG22 ' A' ' 374' ' ' VAL . 56.6 mmm -63.33 -10.79 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 61.32 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.545 ' NZ ' ' CD1' ' A' ' 391' ' ' ILE . 14.6 mtpt -89.9 -55.33 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 75.03 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.34 -41.38 60.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 71.25 109.306 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.958 HG13 ' O ' ' A' ' 370' ' ' LYS . 6.1 m -51.42 -34.3 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.2 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.832 ' CD1' HG23 ' A' ' 374' ' ' VAL . 18.6 m-30 -91.28 -24.94 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 74.43 111.016 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.48 -27.72 68.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 72.42 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.9 -36.4 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 71.14 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.676 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.5 m -125.98 85.78 58.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 72.32 110.448 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.471 1.774 . . . . 70.44 110.987 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.676 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.6 pt20 -81.41 1.2 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 61.23 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.442 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 7.0 mtt -94.9 -48.99 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 73.32 111.013 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.87 -151.27 7.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.16 . . . . 63.11 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.99 134.0 25.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 73.54 109.335 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.55 9.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.789 . . . . 71.12 110.985 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.35 -18.92 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 73.31 109.295 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 8.1 t -92.22 7.25 43.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 60.55 110.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 375' ' ' TYR . 94.5 mt -108.71 -12.73 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 75.34 109.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -69.87 -46.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 64.34 110.271 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.792 . . . . 72.25 110.988 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -99.57 -36.56 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 52.05 110.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.545 ' CD1' ' NZ ' ' A' ' 372' ' ' LYS . 20.9 mt -65.53 -58.71 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 74.04 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.56 -15.84 31.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 51.22 109.35 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -83.18 -33.86 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 71.53 110.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 365' ' ' ARG . 3.1 m -66.28 -47.56 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 65.34 110.422 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 395' ' ' LEU . 2.5 mm? -57.51 -55.46 34.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.21 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -28.04 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 52.1 110.037 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.602 ' O ' HD12 ' A' ' 401' ' ' LEU . 92.9 m-20 -86.12 -13.95 45.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.54 109.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.749 HG12 HG23 ' A' ' 362' ' ' VAL . 18.2 mt -88.16 -37.99 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 75.44 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.5 OUTLIER -76.45 -20.51 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 62.12 110.304 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.7 ptm180 -90.37 -8.05 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 64.02 110.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.928 HD21 ' OE1' ' A' ' 357' ' ' GLU . 7.7 mt -96.8 -63.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 55.43 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 358' ' ' LEU . 8.3 ptmt -51.7 -42.95 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.1 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.6 OUTLIER -51.91 -49.66 62.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 64.31 109.304 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.6 mm-40 -66.35 -30.66 71.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 63.11 110.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.786 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.4 t -77.03 -5.17 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 72.11 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -99.17 -58.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 71.25 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -42.67 -45.42 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 35.35 109.29 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.62 ' O ' HD23 ' A' ' 412' ' ' LEU . 8.4 m-85 -61.54 -57.18 13.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 74.43 111.002 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 1.041 ' CG ' HD11 ' A' ' 351' ' ' LEU . 7.1 mt-10 -54.72 -20.97 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.03 110.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.45 -20.24 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 70.04 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.64 -39.89 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.966 -1.124 . . . . 72.11 107.966 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -40.06 -42.76 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 75.31 109.309 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -39.41 28.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 62.21 109.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -63.99 -15.68 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.13 110.29 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.87 -61.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 64.24 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.469 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 27.6 mt-10 -38.68 -41.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 72.33 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -51.63 26.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 74.43 109.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -54.76 -33.07 60.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 74.41 110.25 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 54.9 t -73.38 -67.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 63.41 109.296 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 55.41 109.283 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 71.04 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -98.35 -28.27 13.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.14 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.48 -61.63 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.13 110.244 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.899 HH21 ' C ' ' A' ' 415' ' ' ALA . 2.2 ptp85 -62.96 -16.2 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 73.54 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -30.56 64.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 74.35 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 347' ' ' LEU . 6.0 mtt85 -73.81 -48.24 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.04 110.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.639 HD22 ' CD1' ' A' ' 408' ' ' TYR . 18.5 mt -40.2 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.54 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.788 ' HG2' HD11 ' A' ' 412' ' ' LEU . 26.5 mt-30 -38.48 -58.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.52 110.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -50.93 -67.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 72.33 110.296 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -51.23 -21.24 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 73.2 110.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.746 HD23 ' CB ' ' A' ' 408' ' ' TYR . 0.6 OUTLIER -72.91 -42.87 63.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 74.3 109.254 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -67.26 -15.85 63.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.44 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 353' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 356' ' ' ARG . 13.2 mt-10 -84.98 -60.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.24 110.346 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.644 ' CB ' HG22 ' A' ' 405' ' ' VAL . 36.8 mmt-85 -40.16 -42.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.53 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.0 t -68.95 -43.16 75.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 74.11 110.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 353' ' ' GLU . 5.5 mmm180 -54.13 -37.87 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 64.1 110.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 2.0 mm-40 -85.19 -34.78 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 71.44 110.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.813 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -62.3 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 63.35 109.301 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 2.2 tp-100 -38.79 -32.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.13 110.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 360' ' ' LYS . . . . . 0.459 ' NZ ' ' CB ' ' A' ' 360' ' ' LYS . 6.1 mtpm? -70.63 -52.96 17.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 73.42 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 358' ' ' LEU . 7.5 mm-40 -58.05 -46.71 84.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.21 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 398' ' ' ILE . 2.2 t -70.48 -34.81 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 74.12 109.283 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.9 OUTLIER -58.42 -37.94 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 61.44 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.713 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 11.4 pt20 -93.71 -23.85 18.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 71.25 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.763 ' HB2' HD11 ' A' ' 398' ' ' ILE . 1.0 OUTLIER -40.61 -47.48 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 72.21 110.3 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -86.31 -22.94 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.33 110.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -72.75 -19.87 61.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 72.41 109.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.627 HD13 ' HG3' ' A' ' 390' ' ' GLN . 9.6 mt -58.92 -58.35 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.1 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 369' ' ' LYS . . . . . 0.442 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 4.6 mtmp? -48.33 -36.4 14.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 72.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.976 ' O ' HG13 ' A' ' 374' ' ' VAL . 11.2 mtpp -68.06 -38.61 82.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 70.51 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.533 ' O ' HG22 ' A' ' 374' ' ' VAL . 60.8 mmm -65.45 -9.11 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.22 111.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.639 ' HD2' HD11 ' A' ' 391' ' ' ILE . 3.9 mtpm? -91.93 -57.79 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.51 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.32 -40.42 35.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.33 109.351 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.976 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.7 m -53.42 -36.57 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 74.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.779 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.1 m-30 -87.11 -30.54 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 73.33 111.031 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.9 -28.17 63.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 71.22 110.315 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 -34.81 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 62.31 109.335 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.6 m -132.47 69.29 79.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 73.32 110.419 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 379' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.2 Cg_endo -75.04 1.07 8.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 54.5 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.47 ' HG2' HG22 ' A' ' 378' ' ' THR . 8.3 pt20 -72.4 -3.96 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 64.2 110.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.25 -4.21 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 75.11 110.981 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 179.57 41.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 53.53 111.005 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.25 143.05 47.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 73.21 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 52.52 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.68 -13.03 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 61.33 109.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 96.2 p -101.04 8.96 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.11 110.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 375' ' ' TYR . 15.6 mt -116.86 -1.7 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 75.11 109.242 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 5.7 mm-40 -78.66 -43.69 1.93 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 65.02 110.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.0 -20.39 16.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 54.52 111.007 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.627 ' HG3' HD13 ' A' ' 368' ' ' LEU . 1.1 pt20 -89.45 -34.4 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.03 110.316 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 387' ' ' LEU . 12.3 mt -60.17 -57.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 74.14 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.88 47.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 42.53 109.289 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 7.3 tt0 -86.88 -32.7 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.33 110.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.3 m -70.61 -33.69 71.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 75.44 110.378 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 395' ' ' LEU . 3.8 mm? -66.67 -60.94 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.03 109.335 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 396' ' ' SER . . . . . 0.455 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 0.2 OUTLIER -59.29 -25.93 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.51 110.022 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.824 ' O ' HD12 ' A' ' 401' ' ' LEU . 81.6 m-20 -83.89 -17.66 40.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.42 109.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.763 HD11 ' HB2' ' A' ' 365' ' ' ARG . 9.3 mt -86.81 -46.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.14 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.455 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.5 OUTLIER -67.1 -35.62 80.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 74.25 110.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.3 ptm180 -72.19 -9.71 58.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.32 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 397' ' ' ASN . 2.8 mt -96.8 -65.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 74.33 109.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.459 ' HG3' HD23 ' A' ' 403' ' ' LEU . 13.0 ptpt -45.77 -54.38 8.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 71.11 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 402' ' ' LYS . 1.0 OUTLIER -43.0 -51.06 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.11 109.275 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 54.1 mm-40 -64.37 -33.33 75.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.23 110.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 401' ' ' LEU . 38.1 t -74.48 -5.9 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.53 109.313 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 406' ' ' GLN . . . . . 0.412 ' CD ' ' O ' ' A' ' 402' ' ' LYS . 0.8 OUTLIER -99.17 -57.92 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 72.41 110.319 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.6 OUTLIER -45.53 -44.41 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 65.11 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.746 ' CB ' HD23 ' A' ' 351' ' ' LEU . 5.6 m-85 -63.21 -59.05 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.13 111.018 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -53.48 -19.83 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 53.21 110.271 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.46 -24.9 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.42 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -69.3 -40.27 77.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.973 -1.121 . . . . 62.35 107.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.788 HD11 ' HG2' ' A' ' 348' ' ' GLN . 2.9 mm? -40.43 -42.79 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 64.41 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.53 -38.43 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 64.51 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 63.21 110.265 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.899 ' C ' HH21 ' A' ' 344' ' ' ARG . . . -104.7 -58.2 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 63.2 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.568 ' N ' HH21 ' A' ' 344' ' ' ARG . 15.7 mt-10 -43.29 -27.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.33 110.284 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 415' ' ' ALA . 6.4 t -52.72 -46.86 67.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.45 109.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -56.0 -44.94 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 73.31 110.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.49 ' CG2' ' NH1' ' A' ' 344' ' ' ARG . 14.9 t -58.6 -68.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 63.13 109.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 64.4 109.305 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.297 -0.26 . . . . 74.11 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.86 -5.32 34.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 45.23 110.301 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -89.84 -37.26 14.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 70.53 110.311 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.78 -19.2 57.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 73.23 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.65 81.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 73.11 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 347' ' ' LEU . 20.8 mtp85 -59.15 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 72.15 110.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.646 HD13 ' CB ' ' A' ' 411' ' ' TRP . 8.1 mt -40.3 -62.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 63.21 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.571 ' CG ' HD11 ' A' ' 412' ' ' LEU . 27.7 mt-30 -54.52 -43.24 71.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 52.02 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 351' ' ' LEU . 11.0 mt-30 -61.7 -76.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.45 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 350' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 346' ' ' ARG . 9.1 mm100 -45.3 -25.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 74.32 110.3 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.625 HD12 HG13 ' A' ' 405' ' ' VAL . 17.7 tp -66.84 -48.9 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 73.35 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 352' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 7.0 tt0 -66.2 -16.23 63.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 70.35 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -92.27 -35.47 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.23 110.318 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.831 ' HB3' HG22 ' A' ' 405' ' ' VAL . 4.9 tpt180 -73.83 -45.55 50.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.34 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.4 p -70.57 -6.48 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 72.53 109.971 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 2.0 mmm180 -88.02 -56.17 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 65.33 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.549 ' CD ' HD21 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -71.43 -5.86 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 72.2 110.263 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.875 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -90.39 -40.12 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 75.51 109.295 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.477 ' N ' HD13 ' A' ' 358' ' ' LEU . 39.7 tp60 -63.96 -13.89 49.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 52.03 110.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -93.15 -10.68 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 64.32 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.473 ' OE1' HG23 ' A' ' 394' ' ' THR . 75.3 mm-40 -103.45 -40.84 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.44 110.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.57 HG23 HG12 ' A' ' 398' ' ' ILE . 2.5 t -76.77 -34.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 51.14 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 5.5 t70 -61.08 -30.59 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 63.32 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 367' ' ' ALA . 17.0 pt20 -104.69 -21.79 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 35.5 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.79 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.6 OUTLIER -37.6 -49.55 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 71.22 110.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -33.46 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 71.24 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -53.05 -45.69 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.01 109.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.73 HD13 ' HG2' ' A' ' 390' ' ' GLN . 3.6 mt -48.59 -65.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 61.2 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -51.38 -22.31 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 51.24 109.332 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -33.44 29.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 61.4 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.578 ' HB2' HD13 ' A' ' 387' ' ' LEU . 68.3 mmm -70.19 -7.02 38.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 41.11 111.031 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 391' ' ' ILE . 16.0 mttt -86.82 -59.09 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.45 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -48.85 -47.35 42.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.31 109.313 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.591 HG23 ' CD1' ' A' ' 375' ' ' TYR . 19.3 m -55.34 -38.46 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 73.34 109.249 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.591 ' CD1' HG23 ' A' ' 374' ' ' VAL . 12.6 m-30 -84.63 -15.59 44.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 72.01 111.012 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 376' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.3 mm-40 -76.47 -33.83 58.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 64.11 110.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -38.13 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 61.02 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.721 HG22 ' HG2' ' A' ' 380' ' ' GLN . 7.4 m -119.76 82.49 27.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 74.31 110.384 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 53.12 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.721 ' HG2' HG22 ' A' ' 378' ' ' THR . 7.0 pt20 -78.25 -0.33 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 73.15 110.247 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.506 ' HE3' ' HB ' ' A' ' 378' ' ' THR . 9.7 mtt -95.83 -49.22 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 30.45 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -172.39 -163.1 25.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 74.32 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.88 132.6 22.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.77 . . . . 74.13 109.308 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.54 11.82 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 73.25 110.975 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.11 -14.12 59.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.04 109.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 t -96.49 6.09 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 75.12 110.019 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.578 HD13 ' HB2' ' A' ' 371' ' ' MET . 21.1 mt -108.14 -6.71 16.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 74.15 109.256 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.8 mt-10 -75.73 -47.14 4.04 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 60.21 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.99 -7.53 19.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 73.41 111.062 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.73 ' HG2' HD13 ' A' ' 368' ' ' LEU . 44.2 tt0 -99.03 -34.77 10.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.24 110.282 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.657 HD11 ' HD2' ' A' ' 372' ' ' LYS . 27.9 mt -66.44 -58.41 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 75.4 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.74 -16.57 28.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 74.34 109.313 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.406 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 14.4 tt0 -83.89 -34.72 24.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.41 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 398' ' ' ILE . 7.2 m -85.64 -24.7 26.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 72.43 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 395' ' ' LEU . 3.9 mm? -76.04 -55.84 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.03 109.263 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 1.7 t -64.66 -16.96 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 32.15 109.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 55.7 m-20 -90.51 -17.61 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.24 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.79 HD11 ' HB2' ' A' ' 365' ' ' ARG . 9.3 mt -84.6 -44.2 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 63.44 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.97 -22.07 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 73.11 110.338 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptm180 -95.36 -8.78 34.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.45 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.875 HD13 ' HA ' ' A' ' 358' ' ' LEU . 2.4 mt -96.78 -75.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.35 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.48 ' HG3' HD22 ' A' ' 403' ' ' LEU . 12.3 ptmm? -40.37 -49.51 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 42.11 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 402' ' ' LYS . 2.7 mm? -46.97 -53.71 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 42.14 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.654 ' HG3' HH21 ' A' ' 354' ' ' ARG . 53.0 mm-40 -64.5 -30.85 71.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 75.25 110.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 354' ' ' ARG . 12.1 t -77.51 -5.57 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 62.25 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -99.01 -58.04 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 74.13 110.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 6.4 ptpt -42.23 -43.66 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 73.32 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.5 m-85 -61.85 -58.82 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 73.43 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -52.68 -21.02 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 65.24 110.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.41 -22.15 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 71.55 109.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.646 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.5 m0 -72.55 -38.85 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 63.03 108.012 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.4 mm? -40.12 -44.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.02 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.81 35.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 61.23 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.87 -15.14 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 72.12 110.304 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -63.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.4 109.329 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 419' ' ' VAL . 78.6 mt-10 -41.79 -37.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 40.03 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 t -40.01 -46.72 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 73.13 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -58.67 -46.79 86.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 75.13 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 416' ' ' GLU . 23.3 t -55.17 -67.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 75.11 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 72.44 109.258 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 341' ' ' GLU . . . . . 0.438 ' HB2' HG13 ' A' ' 419' ' ' VAL . 11.2 tm-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.276 -0.268 . . . . 73.33 110.276 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -93.98 -5.78 46.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.11 110.325 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -88.31 -34.4 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 71.42 110.284 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.506 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.9 ptm180 -65.14 -36.11 83.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.4 110.319 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 344' ' ' ARG . 4.5 ptpt -55.99 -32.66 64.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 75.04 109.299 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -68.96 -43.28 75.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 71.13 110.294 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.652 HD13 ' CB ' ' A' ' 411' ' ' TRP . 29.2 mt -58.61 -75.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 72.43 109.333 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.745 ' HG2' HD11 ' A' ' 412' ' ' LEU . 0.1 OUTLIER -40.04 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 72.25 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.58 -65.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 71.23 110.29 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.79 -11.51 37.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 72.3 110.309 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.1 tt -61.81 -61.68 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 71.33 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 352' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.3 tt0 -51.16 -21.71 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 42.3 110.261 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 38.1 mm-40 -74.86 -70.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.13 110.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.852 ' HB3' HG23 ' A' ' 405' ' ' VAL . 3.5 mmt-85 -39.85 -40.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 70.03 110.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 10.8 t -73.78 -43.36 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 45.21 109.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 14.0 mmt180 -54.89 -46.72 74.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.2 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.757 ' OE1' HD21 ' A' ' 401' ' ' LEU . 2.9 pt-20 -79.75 3.5 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.13 110.32 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.678 ' HA ' HD13 ' A' ' 401' ' ' LEU . 3.3 tt -85.89 -61.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 71.3 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -61.42 -13.85 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.4 110.273 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -84.98 -21.6 29.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 72.52 109.332 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.549 ' HG3' HD11 ' A' ' 401' ' ' LEU . 11.5 mm-40 -92.16 -40.57 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.51 110.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.572 ' CG2' HD13 ' A' ' 398' ' ' ILE . 2.4 t -73.1 -26.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 74.34 109.333 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.82 -28.27 64.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 60.12 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 367' ' ' ALA . 12.5 pt20 -99.95 -24.04 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 65.32 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.557 ' HE ' HD21 ' A' ' 395' ' ' LEU . 1.5 mtp-105 -36.57 -66.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.35 110.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -66.3 -25.54 66.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 71.3 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -62.09 -38.64 89.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 74.53 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.755 HD13 ' HG2' ' A' ' 390' ' ' GLN . 8.1 mt -55.89 -44.87 78.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.33 109.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 369' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 369' ' ' LYS . 5.7 mtpp -62.85 -23.58 67.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 63.54 109.264 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.853 ' O ' HG13 ' A' ' 374' ' ' VAL . 19.6 mtpt -80.14 -35.34 36.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 62.2 109.291 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.62 ' O ' HG22 ' A' ' 374' ' ' VAL . 66.1 mmm -66.48 -8.72 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 74.03 110.997 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.474 ' HG3' HD13 ' A' ' 387' ' ' LEU . 6.4 mtpt -88.59 -55.74 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 53.42 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -50.5 -43.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 62.34 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.9 m -50.95 -33.72 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.34 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.847 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.6 m-30 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 75.21 110.988 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.3 -25.77 67.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 74.21 110.306 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 -36.69 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 61.14 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.864 HG22 ' HG2' ' A' ' 380' ' ' GLN . 11.4 m -129.46 88.27 50.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.41 110.388 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.13 9.28 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 75.43 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.864 ' HG2' HG22 ' A' ' 378' ' ' THR . 8.1 pt20 -80.66 1.99 27.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 74.41 110.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.422 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 6.6 mtm -95.76 -48.13 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.02 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.536 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -174.35 -164.53 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 73.4 110.961 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.77 135.02 21.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 70.33 109.338 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 384' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.1 Cg_endo -75.02 -23.98 13.23 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.421 1.748 . . . . 73.14 111.016 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.84 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 60.32 109.28 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 1.8 t -97.11 3.47 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 35.54 109.954 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 384' ' ' PRO . 9.0 mt -108.52 -4.88 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 55.32 109.3 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -77.7 -47.67 2.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.51 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 62.53 110.971 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.755 ' HG2' HD13 ' A' ' 368' ' ' LEU . 4.0 tt0 -99.56 -35.1 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.14 110.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.648 ' HA ' HD12 ' A' ' 368' ' ' LEU . 24.7 mt -64.8 -69.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 71.32 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.08 -23.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 75.53 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -73.01 -40.14 65.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 74.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.3 m -75.02 -25.21 58.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.55 110.4 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.557 HD21 ' HE ' ' A' ' 365' ' ' ARG . 2.4 mm? -88.86 -27.64 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.14 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 15.6 t -87.97 -10.33 50.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 71.1 110.018 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -102.12 -45.46 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.13 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.709 ' HA ' HD12 ' A' ' 401' ' ' LEU . 12.4 mt -55.05 -37.96 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 74.23 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.57 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -64.44 -22.47 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.35 110.306 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -95.99 -26.83 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.2 110.266 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.757 HD21 ' OE1' ' A' ' 357' ' ' GLU . 19.0 mt -67.56 -52.35 39.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 72.15 109.299 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.539 ' HB3' HD11 ' A' ' 358' ' ' LEU . 2.6 ptmt -68.61 -41.98 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.52 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.7 OUTLIER -56.93 -53.98 51.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.23 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.601 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 50.9 mm-40 -62.21 -23.61 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 74.22 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.852 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.3 t -89.33 -5.31 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.41 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -99.2 -13.87 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 63.52 110.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -97.73 -42.0 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 73.43 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.2 m-85 -61.73 -60.04 4.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 72.53 111.05 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.893 ' CG ' HD11 ' A' ' 351' ' ' LEU . 9.7 mt-10 -54.11 -19.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.43 110.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -21.28 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 75.41 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.652 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.9 m0 -74.33 -41.29 61.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 74.41 107.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.745 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.2 mm? -38.96 -43.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 70.32 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.99 -41.15 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 65.13 109.236 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.4 mm-40 -62.3 -15.75 49.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 71.4 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.97 -63.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 53.24 109.309 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.506 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.4 mt-10 -38.9 -52.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 71.25 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 39.3 t -48.9 -48.97 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 72.41 110.01 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -60.17 -32.61 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 53.31 110.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 341' ' ' GLU . 46.4 t -69.44 -66.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 71.54 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 50.42 109.318 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.286 -0.265 . . . . 72.14 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 342' ' ' GLN . . . . . 0.41 ' CD ' ' HZ2' ' A' ' 345' ' ' LYS . 5.4 mm-40 -97.9 -31.95 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.23 110.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -58.17 -69.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 70.53 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.747 HH12 ' N ' ' A' ' 416' ' ' GLU . 5.5 ptp180 -43.58 -38.45 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 62.54 110.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' A' ' 342' ' ' GLN . 1.6 ttpt -52.51 -49.65 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 74.24 109.308 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 347' ' ' LEU . 21.1 mtp85 -71.12 -43.89 66.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.11 110.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 344' ' ' ARG . 53.6 mt -39.19 -51.45 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.31 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.817 ' CG ' HD11 ' A' ' 412' ' ' LEU . 17.3 mt-30 -68.02 -43.62 78.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 71.41 110.337 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.83 -72.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 45.23 110.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 353' ' ' GLU . 38.2 mm-40 -45.51 -41.73 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 72.03 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.784 HD12 HG13 ' A' ' 405' ' ' VAL . 4.7 tp -45.08 -53.78 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 53.25 109.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 352' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 9.0 tt0 -59.3 -29.06 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 73.14 110.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 353' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 350' ' ' GLN . 45.6 mm-40 -71.31 -46.2 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 72.33 110.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.978 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.7 tpt180 -65.74 -40.65 92.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.34 110.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 3.1 t -78.18 0.61 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 73.33 109.971 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 1.2 mmm180 -97.49 -28.19 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 71.54 110.28 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.861 ' OE1' HD21 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -100.8 3.82 42.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 71.01 110.288 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 402' ' ' LYS . 3.9 tt -80.63 -73.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 52.33 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -43.51 -27.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 61.21 110.256 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -46.4 85.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.33 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 358' ' ' LEU . 24.3 mm-40 -66.1 -43.35 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 62.35 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.734 HG22 ' CZ ' ' A' ' 365' ' ' ARG . 2.4 t -71.72 -20.21 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 43.24 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -25.56 55.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 70.31 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 12.6 pt20 -103.2 -23.45 13.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.15 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.734 ' CZ ' HG22 ' A' ' 362' ' ' VAL . 2.9 mtm180 -37.86 -64.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 74.42 110.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.84 -21.99 64.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 74.2 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -65.92 -37.35 85.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.12 109.289 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.681 HD13 ' HG2' ' A' ' 390' ' ' GLN . 9.4 mt -55.4 -45.54 76.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 73.03 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -41.39 77.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 75.02 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.871 ' O ' HG13 ' A' ' 374' ' ' VAL . 24.2 mtmt -66.69 -37.48 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 64.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.629 ' O ' HG22 ' A' ' 374' ' ' VAL . 63.4 mmm -63.01 -11.21 17.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 61.22 111.018 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.615 ' CG ' HD12 ' A' ' 387' ' ' LEU . 15.3 mttt -87.31 -55.48 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 73.54 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.37 -43.74 54.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 72.14 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.871 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.0 m -52.06 -33.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 64.54 109.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.792 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.9 m-30 -90.92 -27.69 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 64.4 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.45 -24.16 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.11 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -38.05 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 70.45 109.342 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.449 ' O ' ' CG ' ' A' ' 381' ' ' MET . 90.6 m -130.88 70.41 82.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 65.51 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.12 8.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 72.1 111.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.91 -4.58 29.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 74.11 110.324 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.32 -5.26 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 73.4 110.966 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.45 175.51 38.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 73.4 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.432 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 34.4 m-20 -127.15 145.6 54.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 52.53 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -25.77 11.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.412 1.743 . . . . 54.24 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.77 -12.9 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 54.32 109.271 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 95.2 p -100.31 8.9 43.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 71.44 110.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 375' ' ' TYR . 18.6 mt -113.98 -2.31 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.22 109.306 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.2 mt-10 -77.73 -47.62 2.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 75.34 110.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.04 -6.27 17.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 35.42 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.681 ' HG2' HD13 ' A' ' 368' ' ' LEU . 7.1 tt0 -99.58 -32.79 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 64.54 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 368' ' ' LEU . 42.1 mt -69.13 -64.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 73.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.84 -21.32 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 74.21 109.348 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 27.0 tt0 -75.51 -39.02 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 62.42 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.3 m -76.7 -24.42 53.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 72.2 110.372 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.512 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 4.2 mm? -87.52 -26.44 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 74.33 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 32.8 t -92.63 -18.94 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 72.43 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 397' ' ' ASN . 6.0 m120 -89.63 -53.32 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 72.21 109.254 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.672 HD13 HG23 ' A' ' 362' ' ' VAL . 30.9 mt -43.69 -28.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 63.32 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.4 OUTLIER -66.64 -51.88 51.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 62.33 110.284 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 22.5 mtt-85 -61.82 -35.5 78.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 72.31 110.269 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 1.02 ' O ' HG23 ' A' ' 405' ' ' VAL . 7.9 mt -60.64 -71.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 51.33 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -46.02 -59.46 2.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 65.13 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 402' ' ' LYS . 1.2 mm? -43.44 -52.74 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 74.21 109.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.749 ' HA ' ' HZ3' ' A' ' 407' ' ' LYS . 39.6 mm-40 -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.43 110.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 401' ' ' LEU . 9.5 t -77.6 -5.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 71.45 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -99.26 -58.03 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 63.52 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.749 ' HZ3' ' HA ' ' A' ' 404' ' ' GLU . 0.1 OUTLIER -41.65 -48.21 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.42 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.616 ' O ' HD23 ' A' ' 412' ' ' LEU . 18.9 m-85 -59.6 -60.13 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.13 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.419 ' CG ' ' CD2' ' A' ' 351' ' ' LEU . 6.3 mt-10 -54.44 -19.08 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 61.54 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.61 -21.23 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.15 109.325 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.3 m0 -75.39 -38.91 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 71.42 107.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.817 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -40.15 -40.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 70.34 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -83.5 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 65.34 109.334 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.9 mm-40 -57.02 -17.24 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 73.34 110.276 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.81 -56.02 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 71.01 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.747 ' N ' HH12 ' A' ' 344' ' ' ARG . 63.7 mt-10 -39.67 -44.91 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.11 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 m -58.35 -46.68 85.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 73.21 110.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 415' ' ' ALA . 32.5 mmm-85 -54.94 -39.77 69.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 63.53 110.279 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.687 HG23 ' NH2' ' A' ' 344' ' ' ARG . 19.5 t -69.05 -68.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.54 109.316 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 60.33 109.295 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 72.42 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.99 -33.57 11.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 71.52 110.307 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 346' ' ' ARG . 54.7 tt0 -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 71.04 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.435 ' NE ' ' CG ' ' A' ' 416' ' ' GLU . 7.3 ptm180 -77.99 -6.34 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 74.55 110.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -82.99 -52.37 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 54.43 109.288 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 343' ' ' GLN . 0.9 OUTLIER -49.78 -35.97 24.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 74.14 110.298 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 411' ' ' TRP . 19.4 mt -59.88 -68.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.2 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.775 ' CG ' HD11 ' A' ' 412' ' ' LEU . 11.2 mt-30 -38.78 -36.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -69.72 -58.61 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 52.41 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -65.13 -11.21 37.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.41 110.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.914 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.8 tt -73.4 -61.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 71.22 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.96 -16.43 30.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 54.3 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.3 mt-10 -80.62 -56.44 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.32 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.695 HH21 ' HG3' ' A' ' 404' ' ' GLU . 3.5 mmt-85 -44.67 -35.17 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 74.24 110.353 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 1.8 t -77.74 -36.3 50.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 71.52 110.054 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' GLU . 31.7 mtt180 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 72.51 110.305 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.6 -39.77 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 72.3 110.309 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.5 OUTLIER -59.33 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 64.01 109.282 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 38.7 tp60 -39.35 -29.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 63.43 110.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 360' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 358' ' ' LEU . 11.1 mmmt -72.28 -53.16 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 71.24 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 358' ' ' LEU . 73.3 mm-40 -58.91 -43.16 91.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 74.11 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.831 HG23 HG12 ' A' ' 398' ' ' ILE . 2.6 t -75.3 -22.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 70.15 109.278 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -73.22 -40.58 64.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 40.31 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.501 ' O ' ' HB3' ' A' ' 367' ' ' ALA . 8.2 pt20 -87.09 -28.54 22.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 65.23 110.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.661 ' HE ' HD21 ' A' ' 395' ' ' LEU . 1.6 tmt_? -37.45 -64.69 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 74.54 110.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.79 -30.56 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.32 110.279 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -63.76 -34.3 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 53.03 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.466 HD11 ' OG1' ' A' ' 394' ' ' THR . 21.3 mt -50.57 -41.8 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 74.43 109.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -53.27 -33.8 54.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 60.11 109.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.927 ' O ' HG13 ' A' ' 374' ' ' VAL . 1.8 ptpt -70.47 -44.81 66.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 65.13 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.755 ' O ' HG22 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -48.4 -22.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.11 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.417 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 7.4 mtpt -84.68 -53.67 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.3 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -52.32 -42.19 63.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 53.23 109.274 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 370' ' ' LYS . 3.1 m -52.34 -30.85 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 72.33 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.914 ' CE2' HD11 ' A' ' 387' ' ' LEU . 18.9 m-30 -94.63 -24.35 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.43 111.017 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.74 -27.26 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 63.44 110.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -38.35 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 63.21 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.745 HG22 ' HG2' ' A' ' 380' ' ' GLN . 32.2 m -126.11 87.81 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 61.34 110.413 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 62.13 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.745 ' HG2' HG22 ' A' ' 378' ' ' THR . 4.6 pt20 -82.19 -16.71 48.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 63.43 110.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.446 ' HE3' ' HB ' ' A' ' 378' ' ' THR . 4.9 mtt -70.14 -56.08 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 75.43 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -161.87 -141.35 3.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 60.32 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.23 136.95 19.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 73.01 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.29 19.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 72.31 111.002 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -76.31 -10.61 59.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 71.14 109.278 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.4 t -101.24 7.15 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 73.14 109.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.914 HD11 ' CE2' ' A' ' 375' ' ' TYR . 11.0 mt -110.52 -2.98 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 65.23 109.36 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.573 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -75.52 -47.1 4.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 72.4 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.01 -7.48 19.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 70.45 110.99 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.57 -37.13 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 75.11 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 368' ' ' LEU . 36.0 mt -64.84 -68.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 54.33 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.46 -21.66 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 64.23 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 28.8 tt0 -74.69 -39.08 62.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 62.41 110.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.648 ' O ' HD12 ' A' ' 398' ' ' ILE . 20.2 m -69.59 -38.35 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.41 110.373 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.661 HD21 ' HE ' ' A' ' 365' ' ' ARG . 4.3 mm? -67.78 -45.14 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 72.03 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 74.9 m -69.29 -23.15 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 51.44 109.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.925 ' O ' HD12 ' A' ' 401' ' ' LEU . 98.4 m-20 -90.41 -10.67 42.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 74.35 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.831 HG12 HG23 ' A' ' 362' ' ' VAL . 12.0 mt -92.02 -29.25 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 70.24 109.293 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -85.92 -19.24 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.1 110.292 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.8 ptm180 -95.88 -13.2 24.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 64.45 110.333 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 397' ' ' ASN . 1.2 mt -90.64 -65.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 64.52 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.532 ' O ' HG12 ' A' ' 405' ' ' VAL . 6.4 ptmm? -50.78 -45.08 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 64.45 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -47.66 -38.97 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.44 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.695 ' HG3' HH21 ' A' ' 354' ' ' ARG . 53.0 mm-40 -76.18 -27.16 56.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 75.52 110.261 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.6 HG22 HD23 ' A' ' 351' ' ' LEU . 0.4 OUTLIER -78.42 -4.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 74.14 109.264 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.27 -58.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 70.42 110.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 5.0 ptpt -40.86 -44.35 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 62.44 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.591 ' O ' HD23 ' A' ' 412' ' ' LEU . 10.6 m-85 -61.67 -59.92 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 75.21 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.914 ' CG ' HD11 ' A' ' 351' ' ' LEU . 20.2 mt-10 -52.99 -20.02 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 70.14 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.4 -22.61 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.44 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -72.37 -39.9 67.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 70.23 108.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.775 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.1 mm? -39.6 -44.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 72.41 109.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.54 -41.33 27.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 74.32 109.309 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -61.87 -15.52 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 71.34 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.78 -65.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 72.31 109.319 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 419' ' ' VAL . 50.4 mt-10 -39.76 -41.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.4 110.348 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 13.4 t -42.05 -49.65 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 70.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -55.67 -40.24 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 73.03 110.313 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 416' ' ' GLU . 70.0 t -64.86 -53.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 73.04 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 74.53 109.28 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.298 -0.26 . . . . 75.42 110.298 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -93.51 -32.95 13.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 64.24 110.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -49.97 -60.52 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 72.41 110.346 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.803 ' NH2' HG21 ' A' ' 419' ' ' VAL . 7.6 ptp180 -48.92 -39.1 24.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.42 110.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 17.3 ttmt -62.38 -47.68 83.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 73.02 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 347' ' ' LEU . 17.6 mmm180 -53.96 -53.7 49.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 75.11 110.232 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.553 HD13 ' CB ' ' A' ' 411' ' ' TRP . 5.0 mt -40.05 -65.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 74.25 109.353 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.551 ' CG ' HD11 ' A' ' 412' ' ' LEU . 26.3 mt-30 -39.51 -53.09 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 72.12 110.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -49.51 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 72.5 110.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -66.23 -9.72 34.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 70.54 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.778 HD21 ' CG ' ' A' ' 409' ' ' GLU . 1.9 tt -69.97 -46.91 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 43.14 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.59 -26.67 55.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 64.31 110.277 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.33 -48.29 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 75.44 110.278 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.879 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.7 tpt180 -64.33 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 72.01 110.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.46 ' HB2' HG11 ' A' ' 405' ' ' VAL . 4.6 t -72.35 -24.12 61.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 72.45 109.932 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -69.47 -65.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.4 110.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.857 ' OE1' HD21 ' A' ' 401' ' ' LEU . 3.1 pt-20 -55.62 -19.72 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 54.33 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.772 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -65.09 -73.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 74.53 109.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.9 tp60 -45.75 -25.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 60.13 110.322 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -65.86 -54.91 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 74.54 109.352 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.64 -34.11 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 73.23 110.25 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.786 HG23 HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.71 -21.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 65.54 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 1.1 t70 -74.97 -25.31 58.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.42 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.57 ' HG3' HD21 ' A' ' 368' ' ' LEU . 8.3 pt20 -104.92 -27.62 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.52 110.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.788 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -43.5 -37.03 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 75.31 110.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 366' ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.6 pt-20 -80.35 -31.89 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 71.12 110.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -66.14 -37.44 85.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 63.03 109.329 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.918 HD22 ' NE2' ' A' ' 390' ' ' GLN . 6.1 mt -44.54 -47.82 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 63.02 109.307 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -34.45 78.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.44 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 367' ' ' ALA . 25.6 mtmm -72.88 -21.54 60.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 73.02 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.448 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 67.0 mmm -79.29 -6.44 56.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.25 111.001 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 376' ' ' GLU . 0.1 OUTLIER -91.05 -56.35 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.43 109.277 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -52.2 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 75.42 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 375' ' ' TYR . 22.2 m -56.49 -38.82 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.11 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.596 ' CD1' HG23 ' A' ' 374' ' ' VAL . 14.1 m-30 -84.92 -16.36 41.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.41 110.995 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 376' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 372' ' ' LYS . 4.9 mt-10 -75.29 -34.49 61.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 71.11 110.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 -38.18 5.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.2 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.2 m -119.46 82.27 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.31 110.385 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 64.42 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.64 ' HG2' HG22 ' A' ' 378' ' ' THR . 3.9 pt20 -78.83 2.01 21.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 75.31 110.254 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.508 ' HE3' ' HB ' ' A' ' 374' ' ' VAL . 4.7 mtm -100.42 -48.77 4.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 70.05 110.99 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . -171.05 -165.45 28.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 61.51 110.959 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.85 143.18 36.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 62.44 109.284 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 384' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 387' ' ' LEU . 18.4 Cg_endo -74.93 -24.35 13.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 62.34 111.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.91 -11.79 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.41 109.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 7.21 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.31 110.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.535 HD11 ' CD2' ' A' ' 375' ' ' TYR . 7.1 mt -112.3 -1.9 14.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 73.23 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.548 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -78.17 -48.3 2.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.42 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.65 21.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 70.11 110.998 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.918 ' NE2' HD22 ' A' ' 368' ' ' LEU . 0.4 OUTLIER -95.46 -40.05 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 75.41 110.262 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 30.2 mt -61.54 -67.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 63.24 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.84 -21.34 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 55.32 109.252 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.06 -37.75 53.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 52.51 110.281 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.597 HG22 HD11 ' A' ' 398' ' ' ILE . 11.7 m -71.19 -46.61 60.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 65.42 110.417 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.15 -54.4 45.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 71.2 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 2.0 t -63.68 -19.69 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.15 109.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.755 ' O ' HD12 ' A' ' 401' ' ' LEU . 74.8 m-20 -91.94 -16.36 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 63.25 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.788 HD11 ' HB3' ' A' ' 365' ' ' ARG . 28.7 mt -88.64 -43.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 73.33 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.782 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -70.79 -23.09 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 54.33 110.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.7 ptm180 -86.11 -29.07 23.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 65.33 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.857 HD21 ' OE1' ' A' ' 357' ' ' GLU . 13.2 mt -73.86 -73.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 72.55 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.468 ' HB3' HD11 ' A' ' 358' ' ' LEU . 9.0 ptmt -40.52 -40.96 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 72.13 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.2 mm? -56.93 -51.67 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 30.43 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.672 ' HG3' HH21 ' A' ' 354' ' ' ARG . 57.3 mm-40 -60.9 -26.83 67.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 62.13 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.879 HG22 ' HB3' ' A' ' 354' ' ' ARG . 2.2 t -91.44 -4.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 75.03 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 406' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 402' ' ' LYS . 47.0 mt-30 -98.7 -12.17 21.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 70.15 110.303 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.7 OUTLIER -93.65 -41.2 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.14 109.279 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.3 m-85 -61.69 -60.03 4.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 72.31 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.778 ' CG ' HD21 ' A' ' 351' ' ' LEU . 7.1 mm-40 -54.37 -19.15 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.43 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.56 -21.37 16.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 61.32 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.46 -43.45 60.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 74.13 108.006 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.551 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.3 mm? -39.08 -41.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 52.2 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.3 -41.85 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 63.31 109.281 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -62.59 -14.67 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 74.21 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.79 -67.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.44 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -42.74 -34.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 75.24 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 36.0 t -61.23 -63.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.52 110.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.29 -26.67 52.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 71.22 110.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.803 HG21 ' NH2' ' A' ' 344' ' ' ARG . 38.3 t -67.57 -75.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 72.11 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 74.44 109.315 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.303 -0.258 . . . . 70.15 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 342' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 345' ' ' LYS . 2.1 mt-30 -89.59 -34.86 16.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 63.23 110.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -42.59 -40.05 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 71.54 110.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.5 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.2 ptm180 -65.91 -42.49 90.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 55.31 110.306 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 8.7 ttmt -64.69 -30.21 71.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.31 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.413 ' O ' ' OE1' ' A' ' 350' ' ' GLN . 20.0 mmm180 -62.01 -32.09 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.01 110.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.56 HD22 ' HE3' ' A' ' 411' ' ' TRP . 10.5 mt -77.65 -49.03 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 75.15 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.665 ' HG2' HD11 ' A' ' 412' ' ' LEU . 57.2 mt-30 -37.17 -38.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 72.25 110.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 349' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 345' ' ' LYS . 1.8 mp0 -70.04 -66.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 73.21 110.282 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 350' ' ' GLN . . . . . 0.561 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 1.2 mp0 -42.81 -52.66 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.04 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.96 HD23 HG22 ' A' ' 405' ' ' VAL . 0.4 OUTLIER -37.66 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.33 109.261 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -50.26 -47.22 55.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.21 110.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 353' ' ' GLU . . . . . 0.42 ' OE1' ' NE2' ' A' ' 350' ' ' GLN . 76.2 mt-10 -51.96 -30.14 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.32 110.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.699 HH21 ' HG3' ' A' ' 404' ' ' GLU . 0.1 OUTLIER -79.83 -39.27 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 64.4 110.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 38.1 t -77.24 0.61 21.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 71.23 110.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -97.96 -26.17 14.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.31 110.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.524 ' HG3' HD22 ' A' ' 401' ' ' LEU . 9.4 pt-20 -104.96 -32.1 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 72.55 110.323 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.786 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -52.02 -54.49 29.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.42 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.84 -14.8 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.32 110.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 360' ' ' LYS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 357' ' ' GLU . 24.4 mmmt -84.19 -54.63 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 74.04 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.843 ' OE2' HG23 ' A' ' 394' ' ' THR . 9.2 mm-40 -62.91 -35.77 81.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.2 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.601 HG23 HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.58 -22.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.02 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -24.6 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 74.31 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.8 pt20 -105.14 -27.45 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.33 110.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.853 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.18 -36.83 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 63.14 110.295 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 366' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 0.9 OUTLIER -85.51 -25.42 26.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 74.22 110.302 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -74.34 -27.54 60.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 64.14 109.256 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 16.0 mt -50.21 -49.85 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 71.3 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 71.33 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 374' ' ' VAL . 13.8 mtpp -71.06 -20.87 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 73.22 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.492 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 69.1 mmm -83.76 -6.45 59.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.54 111.029 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 376' ' ' GLU . 9.8 mtpt -89.38 -58.9 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.41 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.68 -46.36 58.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 51.52 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.586 HG23 ' CD1' ' A' ' 375' ' ' TYR . 21.0 m -54.72 -39.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 65.44 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 387' ' ' LEU . 13.8 m-30 -85.09 -15.86 42.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 71.3 111.01 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 376' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.4 mm-40 -76.29 -34.8 59.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 73.32 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 -37.9 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 64.34 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.742 HG22 ' HG3' ' A' ' 381' ' ' MET . 19.1 m -118.8 82.43 20.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 74.45 110.44 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 54.4 111.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.681 ' HG2' HG23 ' A' ' 378' ' ' THR . 3.6 pt20 -79.34 1.87 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.55 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.742 ' HG3' HG22 ' A' ' 378' ' ' THR . 4.0 mtt -99.42 -48.62 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 62.33 111.009 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.71 -163.55 25.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 34.44 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -117.41 135.51 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 73.33 109.305 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 384' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 387' ' ' LEU . 18.3 Cg_endo -75.01 -24.3 12.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 75.3 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.09 -10.1 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 62.55 109.337 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 38.9 t -100.58 6.56 44.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 65.34 109.972 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 375' ' ' TYR . 8.7 mt -109.91 -2.45 17.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 74.52 109.354 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.9 mt-10 -78.49 -47.68 1.91 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 73.33 110.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.0 -13.24 21.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 60.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.33 -32.32 13.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 63.5 110.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.544 HG23 HD23 ' A' ' 395' ' ' LEU . 20.7 mt -67.88 -63.3 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 74.23 109.312 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.32 -21.67 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 51.44 109.324 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.38 -38.83 55.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 75.44 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.843 HG23 ' OE2' ' A' ' 361' ' ' GLU . 2.9 m -80.05 -29.31 39.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 60.33 110.431 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.544 HD23 HG23 ' A' ' 391' ' ' ILE . 2.8 mm? -78.89 -29.57 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 65.24 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 37.4 m -90.1 -23.01 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 70.21 109.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -83.99 -52.35 6.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.01 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.853 HD11 ' HB3' ' A' ' 365' ' ' ARG . 33.2 mt -43.27 -29.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 42.13 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.6 OUTLIER -69.19 -54.92 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.21 110.316 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 2.4 mtm105 -59.42 -35.85 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.53 110.262 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.786 HD13 ' HA ' ' A' ' 358' ' ' LEU . 32.8 mt -58.13 -73.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 71.15 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 405' ' ' VAL . 7.7 ptmt -47.62 -60.14 2.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 72.44 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.439 HD23 ' HG3' ' A' ' 402' ' ' LYS . 0.7 OUTLIER -40.7 -50.84 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 70.44 109.341 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.699 ' HG3' HH21 ' A' ' 354' ' ' ARG . 23.3 mm-40 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 62.21 110.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.96 HG22 HD23 ' A' ' 351' ' ' LEU . 0.4 OUTLIER -73.56 -4.45 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.21 109.316 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.03 -57.53 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 72.14 110.292 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -48.03 -42.58 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.01 109.322 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 10.3 m-85 -61.8 -54.09 47.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 73.34 110.983 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.774 ' HG2' HD11 ' A' ' 351' ' ' LEU . 30.8 mm-40 -54.96 -22.41 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.14 110.33 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.37 -20.15 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 72.33 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.0 m0 -75.2 -40.35 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 71.15 108.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.665 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.6 mm? -39.81 -40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 54.31 109.281 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.53 -39.89 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 61.11 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.9 mm-40 -64.24 -14.26 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.15 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.73 -56.63 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.21 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.5 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 0.7 OUTLIER -47.53 -51.98 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 64.32 110.265 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 20.7 t -47.99 -52.82 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 73.24 110.007 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -53.34 -32.7 50.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.32 110.255 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 415' ' ' ALA . 55.6 t -75.25 -76.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.15 109.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.21 109.269 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 341' ' ' GLU . . . . . 0.409 ' HA ' HH21 ' A' ' 344' ' ' ARG . 31.0 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.29 -0.263 . . . . 71.12 110.29 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -90.1 -21.18 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.35 110.245 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.37 -33.28 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.32 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.956 ' HA ' HD12 ' A' ' 347' ' ' LEU . 6.8 ptp180 -90.85 -6.33 54.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 72.11 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -78.87 -27.98 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 61.55 109.29 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 347' ' ' LEU . 5.3 ptm180 -88.04 -40.74 13.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 63.22 110.313 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 344' ' ' ARG . 17.2 mt -44.44 -59.35 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 63.4 109.321 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.402 ' HG3' HD11 ' A' ' 412' ' ' LEU . 65.1 mt-30 -59.65 -46.22 89.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 54.44 110.335 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -56.67 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 42.13 110.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -44.31 -45.97 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 64.34 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 347' ' ' LEU . 26.0 tp -42.71 -53.85 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 75.34 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 352' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 356' ' ' ARG . 4.9 tt0 -55.76 -49.11 74.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.14 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.02 -16.38 12.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 71.11 110.326 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.87 ' HB3' HG22 ' A' ' 405' ' ' VAL . 4.3 tpt180 -95.75 -40.59 9.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.34 110.269 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.39 0.48 53.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.52 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 352' ' ' GLU . 54.6 mtt180 -99.42 -45.3 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 71.14 110.301 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 401' ' ' LEU . 11.6 pt-20 -80.17 3.04 21.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.43 110.255 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.85 ' HA ' HD13 ' A' ' 401' ' ' LEU . 5.2 tt -77.92 -55.39 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 72.1 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -56.27 -16.87 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 64.33 110.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -76.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 62.44 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.641 ' HB2' HG23 ' A' ' 394' ' ' THR . 13.1 pt-20 -57.06 -22.77 41.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 74.11 110.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.592 HG22 HD13 ' A' ' 398' ' ' ILE . 1.7 t -77.11 -37.48 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.32 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.87 -30.26 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 71.42 109.317 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 367' ' ' ALA . 6.9 pt20 -103.77 -24.95 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 51.42 110.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.884 ' NH1' HD11 ' A' ' 395' ' ' LEU . 0.0 OUTLIER -37.73 -40.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 71.31 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 366' ' ' GLU . . . . . 0.411 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.5 pt-20 -90.98 -31.92 16.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 65.33 110.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -54.8 -38.12 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 55.14 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 14.5 mt -43.82 -45.26 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.11 109.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -41.38 66.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.21 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.62 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -61.19 -28.09 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.22 109.269 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.61 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 49.2 mmm -80.65 -6.07 57.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 75.21 110.987 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.5 mtpt -90.94 -59.8 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 73.12 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.08 -47.76 61.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.15 109.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 370' ' ' LYS . 28.5 m -49.02 -37.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 65.21 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.803 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.2 m-30 -86.63 -26.28 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.34 110.999 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.05 -26.16 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.11 110.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -37.41 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 62.24 109.279 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 381' ' ' MET . 27.4 m -128.49 71.38 80.34 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 73.52 110.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 379' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 382' ' ' GLY . 18.3 Cg_endo -74.99 1.7 7.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 74.52 111.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -72.56 -13.87 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 74.41 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.1 OUTLIER -104.41 -4.84 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.45 111.005 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.57 -177.73 41.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 70.43 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.39 147.11 60.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 74.34 109.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.51 1.794 . . . . 64.12 111.045 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.17 -14.47 60.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 75.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 97.6 p -101.1 4.76 42.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 73.43 109.999 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.803 HD11 ' CE2' ' A' ' 375' ' ' TYR . 41.5 mt -110.43 -3.89 15.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 54.32 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.5 mt-10 -72.73 -46.96 9.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 71.34 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.98 -9.13 20.67 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 74.01 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.77 -31.31 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 64.52 110.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.683 HD12 ' O ' ' A' ' 387' ' ' LEU . 23.5 mt -77.44 -54.54 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 70.22 109.26 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.95 56.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 62.34 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.06 -34.99 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.12 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.641 HG23 ' HB2' ' A' ' 361' ' ' GLU . 4.9 m -84.98 -11.7 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 64.42 110.412 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.884 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.0 mm? -96.99 -28.06 14.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.51 109.234 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 7.2 t -90.59 -5.89 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 75.32 109.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -97.0 -52.59 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.42 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.592 HD13 HG22 ' A' ' 362' ' ' VAL . 96.3 mt -46.83 -42.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.32 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.581 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -54.48 -39.51 67.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 71.33 110.325 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 39.5 mtt180 -74.28 -38.77 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 73.51 110.298 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.94 ' O ' HG23 ' A' ' 405' ' ' VAL . 1.5 mt -59.21 -55.79 30.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.42 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 405' ' ' VAL . 6.1 ptmm? -59.2 -58.05 10.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 62.24 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -42.99 -53.31 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 71.1 109.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.71 ' HG3' HH21 ' A' ' 354' ' ' ARG . 20.7 mm-40 -60.57 -33.25 72.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.11 110.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 401' ' ' LEU . 98.9 t -76.15 -6.8 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 75.5 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.84 -57.53 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 73.33 110.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -44.72 -42.0 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 71.32 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 6.3 m-85 -62.26 -57.38 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 61.14 111.001 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.42 -21.09 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 62.2 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.49 -21.29 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 71.23 109.298 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.0 -38.38 64.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.974 -1.121 . . . . 75.34 107.974 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 347' ' ' LEU . 4.1 mm? -39.81 -44.81 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 73.33 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.63 -38.88 38.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.43 109.299 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.54 -15.26 60.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 72.11 110.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.66 -63.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.22 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 419' ' ' VAL . 9.2 mt-10 -46.46 -34.41 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.14 110.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 t -47.27 -42.24 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.4 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -60.83 -32.96 72.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.04 110.28 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.851 HG21 ' NH2' ' A' ' 344' ' ' ARG . 36.8 t -70.37 -72.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 74.42 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 60.31 109.311 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.309 -0.256 . . . . 74.15 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 342' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 343' ' ' GLN . 2.8 pt20 -96.1 -24.56 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 74.33 110.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' ' 342' ' ' GLN . 39.3 tt0 -56.65 -31.55 64.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.44 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.485 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.9 ptm180 -74.29 -26.21 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 75.24 110.286 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -30.0 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 63.1 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -38.06 81.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.34 110.258 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 411' ' ' TRP . 4.2 mt -59.41 -61.64 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.21 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.484 ' CG ' HD11 ' A' ' 412' ' ' LEU . 41.6 mt-30 -39.47 -29.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 72.43 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 349' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 347' ' ' LEU . 38.1 mt-30 -85.19 -47.87 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 61.25 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 350' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 347' ' ' LEU . 13.6 mm100 -71.71 -6.14 39.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 74.33 110.303 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.953 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -84.53 -50.72 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.31 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 352' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 21.1 tt0 -63.18 -23.89 67.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 72.53 110.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -76.03 -51.3 12.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.3 110.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.825 HH21 ' CD ' ' A' ' 404' ' ' GLU . 9.0 mmt180 -58.83 -33.39 70.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.11 110.276 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 7.0 t -86.37 -1.96 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.4 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.1 mmm-85 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.13 110.296 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.845 ' OE1' HD21 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -99.47 1.44 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 71.22 110.272 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.978 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.4 tt -89.39 -49.69 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.35 109.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 50.0 tp60 -59.25 -27.38 65.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 74.42 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 360' ' ' LYS . . . . . 0.473 ' CE ' ' HA ' ' A' ' 357' ' ' GLU . 2.1 ptpt -78.69 -38.78 38.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 73.53 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.564 ' HG3' HD11 ' A' ' 401' ' ' LEU . 5.6 mm-40 -69.36 -36.76 77.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 71.45 110.261 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.68 -39.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 72.31 109.256 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 7.9 t70 -56.63 -29.7 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 71.53 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.547 ' HG3' HD21 ' A' ' 368' ' ' LEU . 6.1 pt20 -104.65 -27.68 11.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.2 110.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.755 ' HE ' HD11 ' A' ' 395' ' ' LEU . 0.9 OUTLIER -35.68 -44.39 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 63.25 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -85.44 -36.47 20.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 71.24 110.333 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -51.75 -35.67 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 73.12 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.946 HD13 ' HG2' ' A' ' 390' ' ' GLN . 10.3 mt -45.66 -45.31 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 73.15 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -37.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 65.5 109.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.956 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -65.44 -30.0 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 64.42 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 39.6 mmm -73.66 -7.42 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 71.32 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.0 mtpt -92.12 -56.57 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 73.13 109.308 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.73 -42.57 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 73.42 109.282 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.956 HG13 ' O ' ' A' ' 370' ' ' LYS . 17.3 m -53.55 -33.78 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 71.21 109.278 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.782 ' CE2' HD11 ' A' ' 387' ' ' LEU . 22.4 m-30 -90.15 -26.74 20.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 71.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -63.72 -26.76 68.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 61.02 110.294 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -35.57 4.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 62.31 109.284 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 381' ' ' MET . 33.3 m -130.07 67.88 80.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 63.55 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 379' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.03 1.88 7.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 71.41 110.987 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.86 -1.61 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.4 110.277 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -118.93 -4.81 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 75.2 111.005 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 173.19 -164.26 36.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 35.52 111.02 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.416 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 2.0 m-20 -154.28 146.39 17.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 70.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 384' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.5 Cg_endo -75.04 -24.54 12.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 52.4 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.16 -17.38 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 64.11 109.334 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 34.3 m -100.63 7.12 44.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 75.53 109.977 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.782 HD11 ' CE2' ' A' ' 375' ' ' TYR . 71.4 mt -108.65 -12.26 14.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 44.2 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.594 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -58.45 -45.41 99.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 75.45 110.245 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.03 -6.89 18.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 71.31 110.988 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.946 ' HG2' HD13 ' A' ' 368' ' ' LEU . 5.6 tt0 -99.65 -21.21 15.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 55.13 110.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 372' ' ' LYS . 18.6 mt -89.99 -54.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 72.44 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.76 -23.92 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.31 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 389' ' ' PRO . 15.3 tt0 -78.37 -40.05 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 52.22 110.334 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 398' ' ' ILE . 31.2 m -76.52 -26.55 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 65.13 110.421 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.755 HD11 ' HE ' ' A' ' 365' ' ' ARG . 2.3 mm? -84.36 -28.02 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 65.14 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 42.1 t -88.25 -20.84 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 54.42 110.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 400' ' ' ARG . 92.8 m-20 -86.48 -47.72 9.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 53.44 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 365' ' ' ARG . 46.1 mt -48.08 -28.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 73.05 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.797 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -72.57 -36.74 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 75.13 110.308 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 16.4 mtp85 -76.03 -39.88 54.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 75.14 110.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.978 HD13 ' HA ' ' A' ' 358' ' ' LEU . 13.8 mt -53.08 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 64.12 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.35 -56.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.1 109.35 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 399' ' ' GLU . 3.6 mm? -42.67 -50.93 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 61.24 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.825 ' CD ' HH21 ' A' ' 354' ' ' ARG . 2.5 mm-40 -60.33 -36.69 78.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.44 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' ' 354' ' ' ARG . 24.6 t -73.21 -5.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 70.12 109.277 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -99.54 -57.8 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 71.33 110.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.602 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.9 ptpp? -46.94 -43.39 19.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.43 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.499 ' O ' HD23 ' A' ' 412' ' ' LEU . 5.1 m-85 -62.47 -59.92 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.14 110.97 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.953 ' CG ' HD11 ' A' ' 351' ' ' LEU . 8.2 mt-10 -53.09 -19.93 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 73.21 110.29 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.414 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -22.5 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 65.14 109.271 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -71.99 -40.84 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 75.53 107.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 408' ' ' TYR . 4.5 mm? -39.79 -43.76 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 62.43 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.84 32.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.01 109.351 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.3 mm-40 -63.49 -16.06 59.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 65.3 110.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 75.43 109.308 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.485 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 31.0 mt-10 -38.47 -50.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 75.51 110.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 23.0 t -51.93 -48.58 64.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 73.51 110.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 415' ' ' ALA . 36.9 mtp85 -57.55 -32.29 66.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.21 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 39.4 t -73.15 -70.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 71.13 109.327 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.03 109.33 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.341 -0.244 . . . . 74.11 110.341 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -97.85 -23.54 15.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.45 110.303 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.72 -30.74 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 72.02 110.296 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.44 -6.3 54.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 70.22 110.309 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -84.93 -45.97 11.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 64.31 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 347' ' ' LEU . 3.4 ptt85 -57.14 -31.87 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.54 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.61 HD13 ' CB ' ' A' ' 411' ' ' TRP . 24.8 mt -63.65 -59.56 4.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.44 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.648 ' CG ' HD11 ' A' ' 412' ' ' LEU . 17.9 mt-30 -42.67 -44.16 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 75.01 110.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 349' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 351' ' ' LEU . 39.0 mm-40 -65.57 -70.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 70.23 110.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -43.04 -27.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.23 110.347 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 1.055 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.3 tt -61.9 -73.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.299 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 352' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 44.1 tt0 -53.04 -20.14 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.41 110.301 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.61 -42.64 61.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 71.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.609 ' HB2' HG22 ' A' ' 405' ' ' VAL . 12.7 mmt180 -68.3 -57.6 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.43 110.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 358' ' ' LEU . 1.6 t -53.86 -33.56 56.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 74.34 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.8 mmm-85 -54.09 -29.94 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 71.22 110.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LYS . 2.9 mm-40 -105.51 -24.57 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 72.4 110.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.735 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.3 tt -50.43 -46.03 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 53.33 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 54.6 tp60 -72.36 -26.67 61.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 75.25 110.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 360' ' ' LYS . . . . . 0.424 ' HA ' ' CE ' ' A' ' 360' ' ' LYS . 0.0 OUTLIER -64.92 -45.15 87.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.42 109.274 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.586 ' OE2' HD11 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -76.59 -37.78 55.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 72.45 110.288 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.814 HG23 HG12 ' A' ' 398' ' ' ILE . 1.5 t -74.96 -19.97 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.12 109.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.8 OUTLIER -76.48 -26.55 55.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 54.05 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 11.1 pt20 -104.97 -22.53 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 74.32 110.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.738 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -48.36 -36.01 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.42 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 366' ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 6.1 pt-20 -92.38 -20.11 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 45.41 110.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -80.89 -20.4 42.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.32 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.652 HD11 ' OG1' ' A' ' 394' ' ' THR . 5.0 mt -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 65.12 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -50.04 -23.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 63.12 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.994 ' O ' HG13 ' A' ' 374' ' ' VAL . 23.2 mtpt -87.5 -33.65 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.03 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.646 ' C ' HG22 ' A' ' 374' ' ' VAL . 52.5 mmm -66.41 -10.53 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 72.35 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.557 ' HD2' HD11 ' A' ' 391' ' ' ILE . 0.0 OUTLIER -94.42 -61.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 71.33 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 373' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 12.1 t0 -45.26 -35.23 3.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 44.45 109.275 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.994 HG13 ' O ' ' A' ' 370' ' ' LYS . 35.5 m -52.87 -44.51 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 74.15 109.252 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.614 ' HE2' HD21 ' A' ' 387' ' ' LEU . 18.5 m-85 -80.63 -31.89 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 71.43 110.97 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -54.12 -30.97 50.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.45 110.306 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 377' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.6 OUTLIER -111.93 -32.43 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 73.15 109.336 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.6 m -133.72 69.83 75.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 72.12 110.41 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.5 Cg_endo -74.97 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 64.43 111.023 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.603 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.5 pt20 -70.71 -5.71 31.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 72.1 110.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -114.94 -7.54 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 70.31 111.032 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 164.99 -171.81 40.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 75.44 111.027 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.558 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 48.3 m-20 -132.6 146.96 63.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 74.11 109.284 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.78 19.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 62.21 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 0.417 ' HA ' ' CG ' ' A' ' 388' ' ' GLU . . . -79.14 -2.7 42.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 71.45 109.262 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 14.5 m -101.65 7.06 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 71.41 109.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.614 HD21 ' HE2' ' A' ' 375' ' ' TYR . 0.4 OUTLIER -119.15 -0.62 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 75.32 109.338 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.0 OUTLIER -68.68 -46.23 34.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 63.25 110.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.02 -10.74 21.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 62.24 111.014 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -99.46 -31.28 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.24 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.557 HD11 ' HD2' ' A' ' 372' ' ' LYS . 11.5 mt -60.76 -60.5 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 71.51 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.77 -15.18 39.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 52.03 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 15.7 tt0 -83.79 -34.03 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 44.11 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.652 ' OG1' HD11 ' A' ' 368' ' ' LEU . 9.6 m -72.39 -50.57 25.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 63.33 110.372 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.467 ' HA ' HD13 ' A' ' 395' ' ' LEU . 2.8 mm? -58.42 -49.05 78.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 65.34 109.246 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 396' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 5.5 t -68.99 -14.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 73.21 109.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.467 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 20.2 m-20 -91.11 -22.87 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 44.11 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.814 HG12 HG23 ' A' ' 362' ' ' VAL . 18.7 mt -83.13 -43.41 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 72.12 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.768 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.0 OUTLIER -69.22 -20.73 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 75.43 110.355 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 6.7 ptm180 -98.63 -8.5 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 70.04 110.271 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 358' ' ' LEU . 10.8 mt -95.61 -39.97 9.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.5 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.428 ' HD2' HG22 ' A' ' 398' ' ' ILE . 5.2 ptmm? -78.44 -34.96 47.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 74.41 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -59.87 -50.9 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 65.1 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 71.5 mm-40 -61.09 -24.9 66.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 72.42 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.826 HG13 ' CD2' ' A' ' 351' ' ' LEU . 96.7 t -92.29 -4.66 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 64.3 109.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -98.76 -14.26 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 74.35 110.315 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -95.52 -41.05 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.01 109.299 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 9.0 m-85 -62.33 -59.96 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 73.13 111.013 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 1.055 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.9 mt-10 -54.02 -19.38 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 65.34 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.38 -22.01 16.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 72.12 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -72.85 -42.16 64.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.43 107.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.648 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.3 mm? -39.52 -42.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 64.14 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.37 -40.55 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 72.21 109.267 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.3 mm-40 -63.5 -14.77 54.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.22 110.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.57 -60.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.24 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.21 -53.86 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.24 110.28 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.4 t -45.88 -39.33 8.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 73.14 110.011 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -70.47 -48.14 57.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.12 110.291 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 78.9 t -50.17 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 71.45 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 64.34 109.292 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.34 -0.244 . . . . 71.24 110.34 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 342' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 345' ' ' LYS . 11.6 mt-30 -98.25 -47.39 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 64.44 110.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -40.63 -35.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.11 110.323 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 416' ' ' GLU . 9.5 ptm180 -67.76 -47.81 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 73.22 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 342' ' ' GLN . 2.7 ptpt -49.92 -29.76 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 55.43 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -68.95 -41.47 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 73.12 110.283 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 411' ' ' TRP . 18.5 mt -65.78 -46.11 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.41 109.272 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.793 ' HG2' HD11 ' A' ' 412' ' ' LEU . 24.4 mt-30 -55.81 -20.03 13.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 72.44 110.319 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -87.64 -75.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.44 110.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -46.16 -30.76 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 55.42 110.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 1.021 ' CD1' HG22 ' A' ' 405' ' ' VAL . 0.3 OUTLIER -60.0 -59.13 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 70.32 109.325 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 352' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.1 tt0 -60.42 -21.89 62.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 64.11 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 353' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 356' ' ' ARG . 75.7 mt-10 -87.87 -10.26 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 64.42 110.317 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.555 ' HD2' HD23 ' A' ' 401' ' ' LEU . 4.2 mmt180 -95.55 -35.92 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 64.53 110.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 358' ' ' LEU . 2.0 t -75.11 -54.8 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 75.13 109.966 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.471 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 0.2 OUTLIER -46.31 -47.55 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.45 110.327 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.923 ' CD ' HD21 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 74.41 110.304 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.705 ' HA ' HD13 ' A' ' 401' ' ' LEU . 3.5 tt -64.19 -48.91 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 61.04 109.351 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.1 tp60 -65.46 -10.06 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 73.33 110.265 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -87.5 -29.72 21.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 74.24 109.292 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 394' ' ' THR . 7.2 mm-40 -78.86 -39.39 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 65.14 110.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.416 ' HA ' ' CG ' ' A' ' 365' ' ' ARG . 3.1 t -79.87 -31.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.0 OUTLIER -61.62 -23.88 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.2 109.268 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.486 ' O ' ' HB3' ' A' ' 367' ' ' ALA . 15.6 pt20 -104.61 -25.28 12.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.103 . . . . 61.21 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.509 ' HE ' HD11 ' A' ' 395' ' ' LEU . 3.6 mmm180 -35.24 -62.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.33 110.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.17 -34.31 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 74.21 110.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -51.1 -50.23 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 75.35 109.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.639 HD13 ' HG3' ' A' ' 390' ' ' GLN . 6.8 mt -42.09 -57.78 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.43 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -45.83 -38.96 7.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.12 109.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.92 ' O ' HG13 ' A' ' 374' ' ' VAL . 16.3 mtmt -72.85 -37.0 67.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.22 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.65 ' O ' HG22 ' A' ' 374' ' ' VAL . 61.8 mmm -63.29 -11.01 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 64.14 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.468 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 1.3 mtpm? -88.47 -55.14 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 72.34 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 373' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 18.5 t0 -50.97 -41.02 59.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 72.31 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.2 m -53.95 -33.41 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 64.31 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.788 ' CE2' HD11 ' A' ' 387' ' ' LEU . 20.5 m-30 -91.48 -27.25 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.42 110.983 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.32 -26.28 68.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.1 110.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 377' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -115.1 -36.31 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.04 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.541 HG22 ' HG3' ' A' ' 380' ' ' GLN . 4.3 m -130.87 69.03 82.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 72.31 110.391 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 379' ' ' PRO . . . . . 0.419 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.57 7.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 72.51 110.969 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 378' ' ' THR . 2.0 pp0? -73.69 -2.84 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 63.1 110.343 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.88 -4.6 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 63.23 111.01 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 176.99 39.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 23.43 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.424 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 0.6 OUTLIER -127.78 144.4 51.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 61.42 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.46 11.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.799 . . . . 75.33 111.009 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.96 -12.56 51.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 74.25 109.257 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 m -100.79 9.01 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.53 110.021 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.788 HD11 ' CE2' ' A' ' 375' ' ' TYR . 13.4 mt -117.02 -3.8 11.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 53.1 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.627 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.98 -43.85 2.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 73.21 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.05 -20.65 16.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 72.44 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.639 ' HG3' HD13 ' A' ' 368' ' ' LEU . 0.7 OUTLIER -89.06 -28.19 20.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 64.01 110.276 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 387' ' ' LEU . 12.6 mt -67.9 -56.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 73.41 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.07 -11.85 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 62.54 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -85.17 -32.95 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.12 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.513 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.0 m -69.22 -34.5 74.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 63.42 110.364 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.509 HD11 ' HE ' ' A' ' 365' ' ' ARG . 2.2 mm? -74.99 -54.58 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 75.22 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 396' ' ' SER . . . . . 0.443 ' O ' ' NE ' ' A' ' 400' ' ' ARG . 3.1 t -60.62 -20.09 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 72.25 109.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 393' ' ' GLU . 78.1 m-20 -90.04 -25.55 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 52.32 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 394' ' ' THR . 10.8 mt -77.26 -46.1 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 71.24 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.858 ' O ' HD22 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -62.29 -36.41 82.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 70.51 110.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 400' ' ' ARG . 3.4 ptp180 -83.02 -7.11 59.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.01 110.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.923 HD21 ' CD ' ' A' ' 357' ' ' GLU . 2.8 mt -89.92 -74.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.4 109.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.474 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.6 OUTLIER -39.49 -44.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 61.33 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 399' ' ' GLU . 1.1 mp -46.64 -49.68 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 71.23 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 21.0 mm-40 -56.3 -44.25 79.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 73.43 110.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 1.021 HG22 ' CD1' ' A' ' 351' ' ' LEU . 3.4 t -73.16 -3.86 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 64.44 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.48 -40.36 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 71.53 110.289 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.623 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -75.02 -41.01 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 75.04 109.358 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.718 ' HB3' HD22 ' A' ' 351' ' ' LEU . 8.7 m-85 -63.91 -59.37 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 61.23 110.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.952 ' HG3' HD21 ' A' ' 351' ' ' LEU . 8.4 mt-10 -54.28 -18.93 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 74.22 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.32 -23.77 15.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.3 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.4 m0 -71.02 -42.01 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 70.01 107.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.793 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.5 mm? -39.72 -42.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.52 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.72 28.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 71.54 109.313 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.9 mm-40 -64.0 -15.02 58.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 75.21 110.267 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.93 -64.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 65.12 109.255 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 344' ' ' ARG . 42.8 mt-10 -38.72 -45.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 73.54 110.278 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.2 p -39.74 -49.83 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 54.23 110.043 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 -57.96 -45.56 86.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.41 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 419' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 416' ' ' GLU . 75.9 t -55.71 -62.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 64.54 109.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 75.03 109.271 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.275 -0.268 . . . . 72.22 110.275 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.94 -17.73 55.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 72.12 110.331 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -57.51 -28.8 63.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 75.35 110.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.84 ' HA ' HD12 ' A' ' 347' ' ' LEU . 0.9 OUTLIER -79.34 -16.43 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.42 110.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.426 ' HD2' ' NE2' ' A' ' 349' ' ' GLN . 0.0 OUTLIER -79.96 -23.9 41.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 73.13 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 347' ' ' LEU . 1.4 ptm180 -75.26 -30.81 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.53 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.84 HD12 ' HA ' ' A' ' 344' ' ' ARG . 4.1 mt -67.14 -73.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 70.34 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.549 ' CG ' HD11 ' A' ' 412' ' ' LEU . 26.7 mt-30 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.11 110.275 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 347' ' ' LEU . 69.6 mt-30 -67.59 -57.4 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.13 110.288 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 350' ' ' GLN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 70.9 mm-40 -62.96 -30.13 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 72.01 110.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 408' ' ' TYR . 0.1 OUTLIER -62.04 -56.76 15.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.51 109.365 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.41 -11.33 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 74.35 110.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -87.3 -46.95 9.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 54.42 110.29 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.579 ' HB2' HG23 ' A' ' 405' ' ' VAL . 48.2 mmt-85 -62.12 -53.09 60.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.33 110.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 17.8 t -48.54 -23.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 64.25 109.967 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -82.13 -57.86 3.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 64.33 110.333 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.88 ' OE2' HD21 ' A' ' 401' ' ' LEU . 5.4 pt-20 -70.26 -6.27 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 52.5 110.305 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.629 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -87.28 -52.43 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 75.31 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 359' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 46.8 tp60 -68.14 -8.14 35.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 75.25 110.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 360' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -84.35 -29.93 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.3 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 361' ' ' GLU . . . . . 0.755 ' OE1' HG23 ' A' ' 394' ' ' THR . 60.1 mm-40 -96.7 -33.62 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 75.43 110.32 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.837 HG23 HG12 ' A' ' 398' ' ' ILE . 1.8 t -77.07 -19.41 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.32 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 363' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.1 OUTLIER -76.78 -26.0 54.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 72.3 109.312 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 11.0 pt20 -105.12 -25.15 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.44 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.865 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -44.75 -37.66 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 54.25 110.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 366' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.1 pt-20 -88.57 -24.14 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 72.11 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -77.0 -20.42 56.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 50.31 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 391' ' ' ILE . 8.4 mt -56.25 -55.67 30.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 73.14 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -59.18 -22.78 61.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 75.2 109.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -77.33 -23.58 50.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 63.51 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.52 ' CB ' HD13 ' A' ' 387' ' ' LEU . 65.7 mmm -80.22 -6.5 57.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 73.51 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 376' ' ' GLU . 12.7 mttt -86.98 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 70.52 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -48.2 -47.89 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 72.23 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.557 HG23 ' CD1' ' A' ' 375' ' ' TYR . 18.3 m -53.84 -39.33 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 74.23 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.658 ' CE2' HD11 ' A' ' 387' ' ' LEU . 12.8 m-30 -84.33 -16.91 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 63.21 111.006 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 376' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 372' ' ' LYS . 3.2 mm-40 -75.25 -34.61 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.52 110.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 -40.34 5.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 71.22 109.277 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.804 HG22 ' HG2' ' A' ' 380' ' ' GLN . 12.7 m -116.77 83.01 13.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 62.24 110.372 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 74.4 111.019 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.804 ' HG2' HG22 ' A' ' 378' ' ' THR . 9.4 pt20 -78.48 -0.58 29.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 55.34 110.311 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 3.5 mtt -96.65 -48.24 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 71.34 110.986 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -173.65 -167.29 33.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 41.31 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -110.97 135.57 20.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 75.43 109.307 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.98 10.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 61.21 110.984 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.94 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.43 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 13.7 m -93.78 4.0 54.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 73.52 110.012 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.658 HD11 ' CE2' ' A' ' 375' ' ' TYR . 39.9 mt -107.22 -7.7 16.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.51 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.3 mt-10 -77.86 -48.04 2.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 72.34 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.03 -9.2 20.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 44.04 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 390' ' ' GLN . . . . . 0.456 ' HG2' HD13 ' A' ' 368' ' ' LEU . 36.2 tt0 -95.62 -35.23 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.22 110.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 387' ' ' LEU . 11.3 mt -60.27 -67.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.5 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.91 -19.95 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.31 109.293 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 12.1 tt0 -79.68 -37.03 36.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.15 110.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.755 HG23 ' OE1' ' A' ' 361' ' ' GLU . 65.7 m -78.38 -33.67 48.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.42 110.343 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.13 -59.07 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 71.53 109.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 396' ' ' SER . . . . . 0.403 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 12.7 m -61.7 -19.32 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 64.13 110.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.704 ' O ' HD12 ' A' ' 401' ' ' LEU . 37.5 m-20 -85.46 -20.2 30.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 62.42 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.865 HD11 ' HB3' ' A' ' 365' ' ' ARG . 15.5 mt -82.37 -48.01 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 60.21 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 403' ' ' LEU . 2.8 pt-20 -64.95 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.32 110.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.6 ptm180 -71.98 -7.85 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 75.45 110.353 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.88 HD21 ' OE2' ' A' ' 357' ' ' GLU . 7.5 mt -96.86 -68.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.31 109.337 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.531 ' O ' HG12 ' A' ' 405' ' ' VAL . 12.5 ptpt -43.54 -49.58 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 63.34 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.9 mm? -45.72 -41.84 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 74.53 109.272 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 38.3 mm-40 -71.41 -32.0 67.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 72.24 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 354' ' ' ARG . 0.4 OUTLIER -73.78 -4.8 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 73.24 109.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -99.1 -58.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 72.12 110.266 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.608 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -46.06 -44.79 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.43 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.735 ' HB3' HD23 ' A' ' 351' ' ' LEU . 4.9 m-85 -63.28 -56.51 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.32 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' GLU . . . . . 0.505 ' CG ' HD21 ' A' ' 351' ' ' LEU . 1.1 mm-40 -55.22 -20.77 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 61.35 110.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.25 -23.28 15.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 74.5 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -70.66 -39.32 73.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 63.41 107.984 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.549 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.4 mm? -40.29 -44.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 71.12 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.51 -39.82 36.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 52.44 109.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.1 mm-40 -63.18 -16.03 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.34 110.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -101.64 -67.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 54.01 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.93 -43.18 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 63.43 110.262 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -39.11 -44.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 62.11 109.992 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.35 -53.09 60.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 63.24 110.31 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 53.9 t -50.25 -58.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 63.03 109.266 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.22 109.29 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.317 -0.253 . . . . 61.34 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 342' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 345' ' ' LYS . 94.5 mm-40 -98.29 -33.33 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 63.32 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -47.45 -51.31 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 71.41 110.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 344' ' ' ARG . . . . . 0.469 ' HG3' ' CD ' ' A' ' 345' ' ' LYS . 9.5 ptm180 -62.2 -21.51 65.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 64.42 110.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 345' ' ' LYS . . . . . 0.647 ' HB2' HH21 ' A' ' 346' ' ' ARG . 0.0 OUTLIER -81.57 -41.54 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 74.24 109.305 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 346' ' ' ARG . . . . . 0.712 ' HE ' ' N ' ' A' ' 346' ' ' ARG . 0.8 OUTLIER -53.88 -43.74 69.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 70.05 110.298 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 347' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 411' ' ' TRP . 18.2 mt -56.95 -68.22 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 65.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 348' ' ' GLN . . . . . 0.743 ' CG ' HD11 ' A' ' 412' ' ' LEU . 14.2 mt-30 -38.16 -38.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 72.52 110.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 349' ' ' GLN . . . . . 0.647 HE22 ' CZ ' ' A' ' 346' ' ' ARG . 5.8 mt-30 -68.12 -60.17 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 53.01 110.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.04 -14.27 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 62.23 110.278 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 351' ' ' LEU . . . . . 0.794 HD12 HG13 ' A' ' 405' ' ' VAL . 15.8 tp -73.21 -50.74 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 65.14 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.74 -36.1 73.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.01 110.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 353' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.8 mt-10 -71.15 -60.21 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 75.14 110.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 354' ' ' ARG . . . . . 0.738 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.6 tpt180 -45.01 -42.23 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 63.4 110.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 13.5 t -72.13 -31.98 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 55.04 109.974 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 356' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 353' ' ' GLU . 12.5 mtt180 -66.27 -50.96 61.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 74.24 110.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 357' ' ' GLU . . . . . 0.753 ' OE1' HD21 ' A' ' 401' ' ' LEU . 3.0 pt-20 -71.22 -5.53 32.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 70.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 358' ' ' LEU . . . . . 0.982 ' HA ' HD13 ' A' ' 401' ' ' LEU . 1.9 tt -92.96 -47.75 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 70.23 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -71.81 -15.81 62.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.12 110.33 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.2 -25.95 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 64.23 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -91.08 -30.04 16.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 73.42 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 362' ' ' VAL . . . . . 0.464 HG22 HD13 ' A' ' 398' ' ' ILE . 2.0 t -77.15 -25.19 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.45 -24.37 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 70.12 109.28 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 364' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.4 pt20 -104.98 -27.4 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 62.14 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 365' ' ' ARG . . . . . 0.55 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -46.8 -33.83 4.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 64.45 110.228 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 366' ' ' GLU . . . . . 0.484 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 2.0 pt-20 -84.99 -25.55 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.24 110.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 367' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -76.07 -30.03 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 41.03 109.291 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 394' ' ' THR . 15.2 mt -48.47 -54.65 13.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 73.24 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -59.02 -26.22 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.14 109.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 370' ' ' LYS . . . . . 0.927 ' O ' HG13 ' A' ' 374' ' ' VAL . 22.6 mtpt -78.91 -31.19 45.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 75.22 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 371' ' ' MET . . . . . 0.623 ' O ' HG22 ' A' ' 374' ' ' VAL . 61.9 mmm -68.54 -8.91 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 74.43 110.964 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 372' ' ' LYS . . . . . 0.628 ' HD2' HD11 ' A' ' 391' ' ' ILE . 14.3 mtpt -90.18 -54.46 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.41 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 373' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 35.5 t0 -51.45 -39.1 56.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 70.22 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 374' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 370' ' ' LYS . 5.1 m -55.82 -33.47 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.22 109.281 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 375' ' ' TYR . . . . . 0.879 ' CD1' HG23 ' A' ' 374' ' ' VAL . 17.8 m-30 -91.77 -23.91 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 75.24 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.64 -28.46 68.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.03 110.318 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 377' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -114.04 -35.74 4.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 71.21 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 378' ' ' THR . . . . . 0.887 HG22 ' HG2' ' A' ' 380' ' ' GLN . 4.4 m -125.57 84.92 59.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 44.3 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.39 8.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.761 . . . . 70.13 110.983 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 380' ' ' GLN . . . . . 0.887 ' HG2' HG22 ' A' ' 378' ' ' THR . 7.4 pt20 -82.02 -1.16 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 54.35 110.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 381' ' ' MET . . . . . 0.438 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 5.9 mtt -90.95 -49.91 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 74.21 111.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.408 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -169.52 -158.2 13.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 51.33 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.05 134.64 23.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 55.22 109.31 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 384' ' ' PRO . . . . . 0.415 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.4 Cg_endo -74.98 -29.33 8.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 75.13 111.009 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 73.41 109.29 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 15.9 m -92.53 7.72 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 75.43 110.013 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 375' ' ' TYR . 89.3 mt -111.85 -12.29 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.24 109.336 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 4.2 mm-40 -72.96 -43.78 8.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 70.41 110.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.95 -8.12 19.83 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.53 1.805 . . . . 71.21 111.0 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -97.4 -38.14 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 75.3 110.278 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.628 HD11 ' HD2' ' A' ' 372' ' ' LYS . 24.8 mt -62.27 -68.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 73.03 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 392' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 396' ' ' SER . . . -49.34 -23.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.52 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 393' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -75.57 -39.71 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.05 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 398' ' ' ILE . 7.8 m -84.83 -16.05 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 63.11 110.408 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 395' ' ' LEU . . . . . 0.54 HD23 HG23 ' A' ' 391' ' ' ILE . 3.1 mm? -95.62 -27.88 15.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 73.22 109.326 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 396' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 392' ' ' ALA . 49.5 m -92.03 -7.85 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 60.41 110.022 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 397' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 72.6 m-20 -97.53 -52.87 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 61.2 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 394' ' ' THR . 79.7 mt -45.65 -42.28 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 50.25 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -56.19 -38.31 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.23 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 400' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 7.1 mtt-85 -80.29 -31.02 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 75.01 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 1.025 ' O ' HG23 ' A' ' 405' ' ' VAL . 22.8 mt -59.19 -70.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 74.21 109.326 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.443 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -48.77 -55.32 11.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.15 109.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 403' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 399' ' ' GLU . 4.6 mp -45.13 -49.08 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 75.12 109.306 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' GLU . . . . . 0.735 ' HG3' HH21 ' A' ' 354' ' ' ARG . 13.9 mm-40 -66.53 -31.67 72.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 74.41 110.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 405' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 401' ' ' LEU . 7.5 t -76.51 -4.89 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 75.22 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.05 -58.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.33 110.298 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 2.9 ptpt -43.18 -44.56 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.32 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 408' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 412' ' ' LEU . 9.8 m-85 -61.08 -59.67 4.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 52.33 111.005 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -53.07 -19.98 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 65.3 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.46 -21.96 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 61.43 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 411' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.4 m0 -73.77 -38.97 64.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 74.13 107.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.7 mm? -39.38 -43.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.43 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.21 27.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 63.25 109.263 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -63.25 -15.01 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 41.32 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -67.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 42.41 109.31 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.454 ' CD ' ' NH2' ' A' ' 344' ' ' ARG . 39.1 mt-10 -38.86 -46.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.34 110.262 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.2 t -39.57 -53.04 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.21 110.031 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 418' ' ' ARG . . . . . 0.423 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 0.6 OUTLIER -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 74.51 110.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 59.2 t -47.08 -62.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 73.53 109.371 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 71.22 109.314 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.961 -0.856 . . . . 73.12 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -61.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 73.5 111.041 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -110.26 158.34 18.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.23 109.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.06 148.04 40.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 75.02 111.043 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 9.9 t -74.42 -176.73 2.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 65.31 110.441 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.25 -73.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 75.4 110.315 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -81.49 146.83 30.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 75.41 109.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -104.1 14.81 29.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 74.24 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 4.0 p -74.68 -53.6 8.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 53.34 110.011 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -53.59 -22.26 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 62.3 109.591 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.72 158.35 85.96 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 63.52 109.312 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.97 25.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 65.43 111.013 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.51 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.5 Cg_endo -74.95 -12.82 21.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.552 1.817 . . . . 64.45 111.007 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -86.23 -38.24 17.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 73.43 110.332 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -91.23 -21.41 21.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 55.51 110.3 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -57.87 -43.92 86.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 75.42 110.347 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' ' 347' ' ' LEU . 2.5 ptm180 -74.71 -6.08 46.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 55.12 110.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 345' ' ' LYS . 2.3 tptt -88.54 -9.85 50.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.22 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -84.22 -61.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 62.43 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.685 HD23 ' HE3' ' A' ' 411' ' ' TRP . 0.5 OUTLIER -48.94 -52.74 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 71.34 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.945 ' HG3' HD11 ' A' ' 412' ' ' LEU . 19.4 mt-30 -38.67 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.11 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.487 ' HG2' ' HZ1' ' A' ' 345' ' ' LYS . 1.9 mp0 -45.49 -60.16 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 65.22 110.276 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -48.43 -26.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 73.32 110.291 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.772 HD23 ' CB ' ' A' ' 408' ' ' TYR . 1.1 tm? -76.19 -44.73 36.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 62.41 109.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.77 -22.36 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 74.43 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 356' ' ' ARG . 2.9 mm-40 -90.15 -56.38 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 110.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.503 HH21 ' HG3' ' A' ' 404' ' ' GLU . 1.6 tpt180 -46.88 -24.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.11 110.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.4 t -92.56 -32.34 14.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.31 110.015 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 353' ' ' GLU . 6.3 mmm-85 -62.59 -53.23 57.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.11 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.928 ' OE2' HD21 ' A' ' 401' ' ' LEU . 2.4 pt-20 -63.45 -12.55 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 70.53 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 358' ' ' LEU . 3.3 tt -85.52 -48.69 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 53.11 109.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.07 -14.09 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 73.3 110.258 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -81.55 -31.57 32.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 73.13 109.302 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 365' ' ' ARG . 5.5 mt-10 -90.16 -22.64 21.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 72.52 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.414 ' HA ' ' CB ' ' A' ' 365' ' ' ARG . 3.1 t -78.95 -37.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 43.45 109.312 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.61 -30.57 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 44.52 109.319 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 10.5 pt20 -104.66 -23.95 13.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 62.23 110.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.543 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -38.85 -48.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 62.05 110.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -87.8 -23.42 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 64.12 110.248 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -70.06 -20.2 63.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 33.04 109.303 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 391' ' ' ILE . 9.7 mt -58.63 -55.13 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.4 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 369' ' ' LYS . . . . . 0.416 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 5.3 mtmp? -49.46 -36.88 24.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.44 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.939 ' O ' HG13 ' A' ' 374' ' ' VAL . 15.1 mtmt -76.31 -32.92 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 64.21 109.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.572 ' O ' HG22 ' A' ' 374' ' ' VAL . 52.2 mmm -66.84 -8.11 26.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 75.11 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.526 ' HD2' HD11 ' A' ' 391' ' ' ILE . 10.2 mtpt -90.78 -56.61 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.13 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 373' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 9.5 t0 -50.42 -41.66 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 74.3 109.249 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.939 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.4 m -50.27 -35.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.02 109.291 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.802 ' CD1' HG23 ' A' ' 374' ' ' VAL . 20.0 m-30 -90.24 -33.01 16.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 64.44 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.72 -27.04 58.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 74.12 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.8 OUTLIER -114.75 -35.84 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 54.53 109.301 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.2 m -131.53 69.22 81.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 72.24 110.397 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 379' ' ' PRO . . . . . 0.477 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -74.97 0.95 8.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.499 1.789 . . . . 51.14 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.4 ' HG2' HG22 ' A' ' 378' ' ' THR . 6.2 pt20 -71.47 -7.24 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 60.14 110.251 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -113.18 -4.84 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 73.41 110.976 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 168.12 171.56 34.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 53.35 110.979 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -120.08 143.43 35.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 75.42 109.292 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 74.22 111.02 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -68.55 -13.67 62.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 62.02 109.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 9.8 t -100.63 8.7 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 71.21 110.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.662 HD11 ' CE2' ' A' ' 375' ' ' TYR . 97.6 mt -114.22 -1.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 74.02 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.92 -47.98 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.24 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.94 -6.56 18.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 71.04 111.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -99.44 -33.74 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.5 110.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.547 ' HA ' HD12 ' A' ' 368' ' ' LEU . 24.0 mt -65.51 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.24 109.29 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 64.13 109.359 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.29 -38.8 49.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 61.05 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.614 ' O ' HD12 ' A' ' 398' ' ' ILE . 3.4 m -79.38 -18.39 52.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 63.54 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 3.0 mm? -93.6 -28.22 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 73.31 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 41.2 m -90.92 -20.54 22.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.22 109.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 399' ' ' GLU . 79.3 m-20 -84.22 -51.91 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 73.51 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 394' ' ' THR . 52.5 mt -44.81 -27.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 75.43 109.25 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.5 OUTLIER -75.85 -57.88 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 71.52 110.254 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 400' ' ' ARG . 4.8 ptp180 -66.62 -9.39 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.35 110.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.928 HD21 ' OE2' ' A' ' 357' ' ' GLU . 4.2 mt -89.91 -67.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 74.25 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' A' ' 358' ' ' LEU . 6.4 ptmt -49.92 -46.23 51.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 71.24 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -45.77 -48.67 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 74.01 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.503 ' HG3' HH21 ' A' ' 354' ' ' ARG . 43.4 mm-40 -68.29 -31.81 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.24 110.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.494 ' HA ' ' CD2' ' A' ' 351' ' ' LEU . 62.3 t -73.42 -5.09 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 71.51 109.284 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -99.38 -58.4 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 62.22 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.3 ptpp? -45.78 -43.57 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 72.23 109.26 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.772 ' CB ' HD23 ' A' ' 351' ' ' LEU . 4.5 m-85 -63.14 -59.33 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.42 110.955 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.54 -20.59 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.2 110.289 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.37 -24.1 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 64.11 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.685 ' HE3' HD23 ' A' ' 347' ' ' LEU . 43.5 m0 -69.3 -40.67 77.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.956 -1.127 . . . . 75.22 107.956 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.945 HD11 ' HG3' ' A' ' 348' ' ' GLN . 4.1 mm? -40.47 -44.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.12 109.331 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.05 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 73.41 109.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.84 -15.1 62.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 75.04 110.278 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -102.05 -57.65 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 60.44 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 419' ' ' VAL . 6.7 mt-10 -49.21 -34.0 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 71.12 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 38.3 t -42.66 -35.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 71.25 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.06 -44.31 96.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 73.11 110.307 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.51 HG22 ' HB2' ' A' ' 340' ' ' PRO . 40.7 t -64.94 -61.31 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 61.32 109.263 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.6 mt -45.45 -54.9 6.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 73.21 109.332 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 3.4 t -44.73 -53.09 7.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 71.32 109.971 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -72.04 103.59 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 62.15 109.301 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -128.72 179.12 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 74.45 110.309 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -173.9 53.46 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 43.12 110.963 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ASP . . . . . 0.41 ' OD2' ' N ' ' A' ' 425' ' ' ASP . 1.3 m-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 71.45 109.308 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.072 -0.811 . . . . 71.22 111.072 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 62.54 111.014 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -92.43 166.3 12.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 75.02 109.629 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 12.9 tpt -151.53 157.63 42.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 71.12 111.039 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 23.1 p -131.48 158.55 40.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.31 110.404 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.99 67.61 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 72.4 110.312 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' ASP . . . . . 0.586 ' C ' ' CD1' ' A' ' 335' ' ' PHE . 0.3 OUTLIER 46.98 32.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 70.21 109.335 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 334' ' ' ASP . 0.2 OUTLIER 37.5 30.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 75.14 110.988 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 336' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 334' ' ' ASP . 2.1 p -104.92 8.74 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 55.32 110.017 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -113.22 -1.78 14.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 75.45 109.626 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.413 HD11 ' CB ' ' A' ' 335' ' ' PHE . 0.4 OUTLIER -116.45 163.7 21.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 73.14 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.68 14.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 65.42 110.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 419' ' ' VAL . 18.5 Cg_endo -74.91 0.05 9.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 54.45 111.073 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -92.3 -32.59 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 75.53 110.353 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.21 -18.08 18.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 74.21 110.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -69.27 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.14 110.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 10.3 ptm180 -70.79 -19.99 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 42.23 110.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -65.3 -44.19 88.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 63.12 109.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 346' ' ' ARG . 0.4 OUTLIER -59.1 -66.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 73.41 110.256 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 411' ' ' TRP . 3.3 mt -34.6 -67.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 62.43 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.766 ' CG ' HD11 ' A' ' 412' ' ' LEU . 32.9 mt-30 -40.49 -55.13 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 64.42 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -52.82 -62.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 72.34 110.324 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -58.38 -17.08 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 64.02 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 1.026 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.6 tt -68.64 -51.91 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 54.24 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 17.5 tt0 -64.4 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 61.5 110.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.69 -48.9 70.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 73.11 110.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.966 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.9 tpt180 -66.2 -37.47 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 72.44 110.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.7 t -76.39 -2.5 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.14 110.018 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 3.0 mmt-85 -98.24 -20.32 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 72.21 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.709 ' OE2' HD21 ' A' ' 401' ' ' LEU . 5.4 pt-20 -102.16 -16.47 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 72.22 110.3 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.95 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -75.24 -52.23 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 72.33 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -63.87 -13.18 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 74.13 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -89.2 -34.04 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 72.11 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 365' ' ' ARG . 9.1 mm-40 -82.17 -29.79 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.32 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 3.1 t -79.16 -33.9 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.03 109.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.88 -31.74 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 52.22 109.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 10.3 pt20 -103.92 -22.78 13.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.41 110.311 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.71 ' NH1' HD11 ' A' ' 395' ' ' LEU . 0.0 OUTLIER -38.73 -51.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 73.35 110.299 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.08 -23.94 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.41 110.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -68.66 -22.94 64.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 52.24 109.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 391' ' ' ILE . 12.3 mt -57.62 -53.76 54.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 74.53 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -54.0 -31.31 50.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 52.24 109.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.928 ' O ' HG13 ' A' ' 374' ' ' VAL . 18.9 mtmt -72.06 -38.08 69.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 72.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.656 ' O ' HG22 ' A' ' 374' ' ' VAL . 60.1 mmm -62.16 -12.02 17.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 35.24 111.001 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.556 ' HD2' HD11 ' A' ' 391' ' ' ILE . 1.1 mtpm? -88.58 -54.84 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 72.12 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -51.2 -40.89 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 70.23 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.928 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.4 m -53.48 -33.35 21.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.03 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.815 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.5 m-30 -92.21 -23.11 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.22 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.45 -26.4 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 53.35 110.294 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -36.64 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 70.33 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.851 HG22 ' HG2' ' A' ' 380' ' ' GLN . 8.3 m -128.49 87.99 53.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 73.11 110.37 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.28 9.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 62.51 111.06 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.851 ' HG2' HG22 ' A' ' 378' ' ' THR . 3.0 pt20 -77.8 -6.8 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 72.41 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 9.8 mtt -89.61 -51.15 5.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 71.41 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.603 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -167.8 -149.82 6.26 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.49 1.119 . . . . 75.44 110.987 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.43 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 1.7 t0 -134.95 139.75 33.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 73.41 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 74.3 110.976 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.9 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.235 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 19.3 m -99.92 8.04 44.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.42 109.995 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 391' ' ' ILE . 14.1 mt -116.19 -0.51 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.44 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.6 mt-10 -79.5 -48.33 1.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.22 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -7.83 19.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 53.11 111.012 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.473 ' HG2' HD13 ' A' ' 368' ' ' LEU . 7.0 tt0 -98.94 -34.73 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 64.51 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 387' ' ' LEU . 10.8 mt -64.54 -62.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.43 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.17 -21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 54.31 109.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.76 -38.48 46.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.22 110.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.727 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.5 m -79.82 -18.48 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 72.33 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.71 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.2 mm? -92.56 -27.89 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 65.31 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 28.4 t -94.19 -7.03 43.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 62.31 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -100.0 -32.37 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 62.34 109.361 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 394' ' ' THR . 31.0 mt -66.75 -25.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 71.53 109.374 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.514 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -77.46 -23.43 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 74.45 110.318 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 8.4 mtp180 -96.45 -27.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.41 110.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.999 ' O ' HG23 ' A' ' 405' ' ' VAL . 51.0 mt -65.15 -72.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 74.23 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 10.5 ptmt -49.3 -47.34 47.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 61.43 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.1 mm? -52.01 -50.5 61.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 72.04 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.628 ' HG3' HH21 ' A' ' 354' ' ' ARG . 38.0 mm-40 -65.56 -30.83 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 53.51 110.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 401' ' ' LEU . 9.6 t -78.93 -4.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 75.54 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 406' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 407' ' ' LYS . 10.9 mt-30 -98.83 -58.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 64.11 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -40.48 -46.85 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 70.51 109.257 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.4 m-85 -60.53 -60.02 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.15 111.027 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 1.026 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.3 mt-10 -54.19 -19.15 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 72.05 110.354 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.23 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 51.04 109.337 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.1 m0 -74.88 -40.2 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 70.21 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.766 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.9 mm? -38.38 -43.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 55.21 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.54 -41.6 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 62.3 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -61.44 -15.53 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 51.15 110.258 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.93 -68.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 70.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.499 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 37.4 mt-10 -38.83 -42.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 74.43 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 12.4 t -41.16 -49.64 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 72.43 109.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -56.7 -41.09 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 53.44 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 416' ' ' GLU . 47.9 t -60.78 -66.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 53.33 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 mt -48.33 -33.03 8.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 75.34 109.288 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 54.0 m -92.12 34.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 72.31 109.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 419' ' ' VAL . 31.6 m-20 -150.69 123.85 8.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 75.23 109.256 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.13 -178.25 5.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.153 . . . . 61.03 110.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -116.46 102.01 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 60.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 73.21 109.318 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.036 -0.826 . . . . 71.13 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.04 18.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 74.33 111.026 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -76.46 -41.51 47.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 52.2 109.564 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' MET . . . . . 0.429 ' HA ' ' NH2' ' A' ' 346' ' ' ARG . 3.2 mtp -40.57 145.35 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 65.21 111.05 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.738 HG23 ' CZ ' ' A' ' 346' ' ' ARG . 4.0 p -66.57 -168.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 52.44 110.39 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -130.73 -76.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 63.01 110.317 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.37 122.23 45.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 63.14 109.292 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.49 ' CB ' HD11 ' A' ' 338' ' ' LEU . 0.1 OUTLIER -115.13 14.27 16.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 73.4 111.043 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 59.3 p -92.72 5.2 51.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 72.22 109.97 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -121.26 12.07 10.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 75.14 109.607 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.49 HD11 ' CB ' ' A' ' 335' ' ' PHE . 0.3 OUTLIER -129.83 162.71 51.86 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 75.24 109.309 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.96 13.6 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 73.31 111.047 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.77 ' HG2' HG22 ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.01 -5.67 17.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 73.34 111.029 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.15 -37.05 34.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 71.23 110.3 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -98.28 -13.56 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 72.41 110.315 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.49 ' HB2' HD12 ' A' ' 338' ' ' LEU . 41.0 tt0 -86.29 -46.96 9.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 62.54 110.323 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.829 ' NH2' HD12 ' A' ' 412' ' ' LEU . 3.5 ptm85 -59.1 -22.39 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 71.54 110.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 346' ' ' ARG . 0.5 OUTLIER -64.02 -42.01 97.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 64.04 109.299 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.738 ' CZ ' HG23 ' A' ' 332' ' ' THR . 20.2 mmm180 -55.67 -59.44 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 73.51 110.3 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.829 HD22 ' HE3' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -36.07 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 62.44 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.632 ' HG2' HD11 ' A' ' 412' ' ' LEU . 27.2 mt-30 -38.01 -57.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 73.25 110.335 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -47.78 -64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 73.02 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 408' ' ' TYR . 29.6 mm-40 -60.73 -15.96 34.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 75.2 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.718 HD11 ' HG2' ' A' ' 409' ' ' GLU . 0.9 OUTLIER -73.02 -38.41 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 72.51 109.296 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -89.79 -6.28 56.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 74.42 110.271 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -96.27 -42.47 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 73.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.95 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.5 tpt180 -68.71 -39.35 80.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 75.34 110.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 9.7 p -76.04 -4.59 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 53.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -89.84 -29.96 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 73.1 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.599 ' HG3' HD22 ' A' ' 401' ' ' LEU . 4.2 pt-20 -98.04 -20.95 17.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 75.14 110.325 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.846 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.2 OUTLIER -65.61 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.04 109.293 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 43.7 tp60 -45.94 -26.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 54.3 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -71.86 -61.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 74.43 109.283 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 361' ' ' GLU . 0.2 OUTLIER -50.5 -41.88 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 74.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.756 HG23 HG12 ' A' ' 398' ' ' ILE . 3.0 t -75.14 -36.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 73.25 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.2 OUTLIER -58.51 -41.55 85.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 65.51 109.277 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.675 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 8.7 pt20 -92.7 -23.11 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 72.1 110.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.806 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.1 OUTLIER -38.99 -54.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 63.34 110.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -80.23 -22.94 41.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 73.55 110.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -69.66 -23.81 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 53.21 109.303 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 391' ' ' ILE . 15.9 mt -56.56 -52.51 64.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 65.13 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 369' ' ' LYS . . . . . 0.418 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 1.6 mtpm? -53.04 -30.08 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 65.21 109.273 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.915 ' O ' HG13 ' A' ' 374' ' ' VAL . 21.5 mtpt -81.79 -31.56 31.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 64.22 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.584 ' O ' HG22 ' A' ' 374' ' ' VAL . 57.8 mmm -69.47 -6.79 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 75.44 111.037 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.6 mtpt -90.93 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 52.35 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 373' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 15.1 t0 -50.42 -41.4 52.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 75.25 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.915 HG13 ' O ' ' A' ' 370' ' ' LYS . 9.5 m -50.66 -35.12 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 75.21 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.812 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.7 m-30 -90.11 -32.58 16.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 74.42 110.985 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -57.06 -27.73 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 61.43 110.338 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 377' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.1 OUTLIER -114.12 -35.04 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 64.02 109.33 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.455 ' O ' ' CG ' ' A' ' 381' ' ' MET . 55.0 m -132.03 69.06 80.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 71.14 110.43 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 379' ' ' PRO . . . . . 0.485 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.27 7.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 62.11 110.998 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -72.68 -3.99 28.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 64.44 110.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.455 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.84 -4.24 11.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.21 111.004 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 169.14 175.55 38.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 63.23 110.996 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.08 142.63 41.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 60.45 109.276 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.64 10.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.44 111.012 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.33 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.34 109.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 3.8 t -100.04 8.96 43.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 41.33 110.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.733 ' O ' HD12 ' A' ' 391' ' ' ILE . 96.0 mt -114.27 -2.4 13.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 53.4 109.342 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.7 mt-10 -78.03 -47.97 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 75.01 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.09 -6.75 18.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 73.51 110.958 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -98.24 -34.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 64.4 110.276 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 387' ' ' LEU . 7.4 mt -61.57 -65.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 61.14 109.265 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.56 -18.81 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 71.43 109.338 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.416 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 11.6 tt0 -78.48 -36.71 44.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 62.11 110.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.496 ' OG1' HD11 ' A' ' 368' ' ' LEU . 4.5 m -68.79 -43.8 74.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 61.34 110.398 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.1 -48.82 80.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 55.1 109.286 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 19.2 m -69.88 -21.69 63.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 61.44 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.784 ' O ' HD12 ' A' ' 401' ' ' LEU . 89.7 m-20 -90.55 -13.76 33.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 74.44 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.806 HD11 ' HB2' ' A' ' 365' ' ' ARG . 13.2 mt -87.43 -29.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.11 109.291 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.57 -17.91 34.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 61.45 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.9 ptp180 -92.06 -7.87 47.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 63.22 110.346 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 1.021 ' O ' HG23 ' A' ' 405' ' ' VAL . 12.4 mt -96.74 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 62.25 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.565 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.0 OUTLIER -45.54 -52.83 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 72.13 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.69 -52.2 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 53.21 109.296 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.495 ' HG3' HH21 ' A' ' 354' ' ' ARG . 64.2 mm-40 -66.75 -27.99 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 62.01 110.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 401' ' ' LEU . 11.3 t -77.7 -5.08 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 15.41 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -98.89 -58.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.13 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.26 -43.23 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 75.41 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 350' ' ' GLN . 9.0 m-85 -62.25 -60.16 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.53 110.981 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.718 ' HG2' HD11 ' A' ' 351' ' ' LEU . 9.1 mm-40 -54.02 -19.76 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 65.45 110.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.01 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.44 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.829 ' HE3' HD22 ' A' ' 347' ' ' LEU . 42.3 m0 -73.25 -42.29 62.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 73.12 107.99 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.829 HD12 ' NH2' ' A' ' 344' ' ' ARG . 4.5 mm? -40.53 -43.41 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 54.2 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.91 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 54.24 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.3 mm-40 -65.02 -14.27 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 74.42 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.6 -65.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 62.32 109.28 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.521 ' CG ' ' NH1' ' A' ' 344' ' ' ARG . 0.2 OUTLIER -38.85 -57.14 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 74.25 110.298 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 t -43.6 -48.75 7.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 73.42 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.34 -44.45 84.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 61.3 110.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.77 HG22 ' HG2' ' A' ' 340' ' ' PRO . 67.0 t -55.2 -73.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 70.11 109.305 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.9 mt -43.87 -57.45 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 71.33 109.31 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 423' ' ' ARG . 2.7 m -39.51 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 62.1 110.027 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -45.67 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 51.32 109.26 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 421' ' ' SER . 6.1 ptm180 -82.29 132.56 35.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.31 110.329 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -126.2 26.67 5.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 52.3 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 28.6 t0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 74.01 109.329 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.035 -0.826 . . . . 64.12 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -86.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 74.2 111.049 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -94.25 -77.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 70.4 109.567 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.78 146.51 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 74.41 110.97 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 13.1 t -82.1 -178.63 7.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 70.52 110.381 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -106.22 -51.47 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 72.45 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -118.01 146.62 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 74.13 109.328 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.526 ' HA ' HD11 ' A' ' 338' ' ' LEU . 3.3 m-85 -93.46 30.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 65.42 111.019 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 34.6 p -117.69 -38.15 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 41.33 110.012 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -47.96 -33.54 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 75.42 109.584 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 335' ' ' PHE . 0.0 OUTLIER -80.15 174.35 6.27 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 71.41 109.31 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.04 15.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 72.44 110.936 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.497 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.1 Cg_endo -75.02 -3.33 13.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 61.12 111.004 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -82.27 -40.54 21.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 62.21 110.308 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 345' ' ' LYS . 9.5 mt-30 -90.68 -37.05 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 64.12 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -42.01 -29.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.53 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.847 ' NH2' HG21 ' A' ' 419' ' ' VAL . 7.3 ptp180 -87.23 -38.99 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 64.1 110.336 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.7 ptmt -59.79 -34.75 73.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 72.21 109.278 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 347' ' ' LEU . 11.2 mmt180 -63.1 -54.88 30.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 74.22 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.771 HD13 ' CB ' ' A' ' 411' ' ' TRP . 7.2 mt -39.69 -69.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 71.33 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.729 ' HG2' HD11 ' A' ' 412' ' ' LEU . 27.3 mt-30 -40.62 -65.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 75.23 110.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 352' ' ' GLU . 0.8 OUTLIER -41.81 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 65.4 110.331 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 350' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 408' ' ' TYR . 9.1 mm100 -46.32 -25.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 72.52 110.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 1.063 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.0 OUTLIER -68.91 -45.59 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.4 109.285 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 349' ' ' GLN . 2.1 tt0 -69.1 -28.99 66.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.41 110.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -72.8 -57.37 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 64.43 110.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.726 ' HB3' HG23 ' A' ' 405' ' ' VAL . 22.2 mmt-85 -60.42 -31.74 70.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.03 110.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.5 t -78.51 -35.32 46.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -37.82 76.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 62.34 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.686 ' CG ' HD21 ' A' ' 401' ' ' LEU . 6.6 pt-20 -86.43 -6.47 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 72.31 110.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.953 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.0 OUTLIER -88.76 -41.87 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 74.35 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.635 ' N ' HD13 ' A' ' 358' ' ' LEU . 69.7 tp60 -66.06 -9.83 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.01 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -12.8 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 72.33 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.57 -41.51 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.24 110.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.667 HG23 HG12 ' A' ' 398' ' ' ILE . 1.9 t -77.24 -19.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 74.33 109.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 2.9 t0 -76.76 -25.81 53.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 65.24 109.252 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 367' ' ' ALA . 13.8 pt20 -105.35 -25.32 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 65.42 110.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.884 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -44.23 -37.69 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 65.33 110.287 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 366' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 365' ' ' ARG . 3.7 pt-20 -85.74 -25.89 26.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.45 110.25 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -67.04 -45.63 76.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 52.15 109.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.62 HD22 ' OE1' ' A' ' 390' ' ' GLN . 10.3 mt -40.1 -61.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.22 109.253 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -45.76 -41.51 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 53.44 109.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.946 ' O ' HG13 ' A' ' 374' ' ' VAL . 21.7 mtmt -65.66 -39.97 91.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.02 109.277 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.687 ' O ' HG22 ' A' ' 374' ' ' VAL . 38.5 mmm -60.47 -13.38 13.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 74.24 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.73 ' HD2' HD11 ' A' ' 391' ' ' ILE . 16.2 mtpt -88.41 -54.53 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 45.43 109.235 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 373' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.9 t0 -51.55 -40.5 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 71.11 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.946 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.4 m -53.26 -33.05 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 73.02 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.902 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.8 m-30 -92.73 -23.72 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 70.01 111.011 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.15 -27.35 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 73.32 110.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 377' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 1.1 ptmt -113.89 -35.59 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.53 109.302 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.856 HG22 ' HG2' ' A' ' 380' ' ' GLN . 7.8 m -127.98 86.24 58.65 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.54 110.383 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 70.13 111.029 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.856 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.9 pt20 -81.38 -2.46 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 64.44 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 381' ' ' MET . . . . . . . . . . . . . 7.5 mtt -89.75 -50.67 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 50.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.458 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -166.61 -141.02 3.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 70.14 111.023 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.46 132.91 15.62 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.11 109.279 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.45 11.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 63.32 111.057 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 64.11 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 29.7 t -99.69 4.87 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 63.23 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.902 HD11 ' CE2' ' A' ' 375' ' ' TYR . 19.1 mt -110.54 -2.84 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 74.21 109.32 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -78.01 -47.96 2.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 71.52 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.04 -5.77 17.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 42.03 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.62 ' OE1' HD22 ' A' ' 368' ' ' LEU . 27.2 tt0 -99.38 -32.03 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.2 110.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.73 HD11 ' HD2' ' A' ' 372' ' ' LYS . 8.5 mt -66.08 -71.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 72.43 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 392' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 391' ' ' ILE . . . -47.77 -24.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 54.33 109.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 7.8 tt0 -72.91 -40.59 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 72.21 110.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 391' ' ' ILE . 89.5 m -75.9 -46.42 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 72.43 110.39 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.476 HD23 HG23 ' A' ' 391' ' ' ILE . 3.7 mm? -56.86 -53.37 58.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.42 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 11.4 t -63.73 -23.19 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 71.51 110.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 58.5 m-20 -84.76 -20.63 30.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 73.21 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.884 HD11 ' HB3' ' A' ' 365' ' ' ARG . 38.2 mt -79.57 -47.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 75.25 109.244 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.7 OUTLIER -62.79 -36.08 81.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 74.33 110.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptp180 -79.97 -7.16 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 71.55 110.299 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.953 HD13 ' HA ' ' A' ' 358' ' ' LEU . 3.6 mt -96.77 -75.13 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 71.04 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.405 ' HD2' HG22 ' A' ' 398' ' ' ILE . 3.4 ptmm? -40.21 -42.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 64.42 109.289 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.3 OUTLIER -52.52 -51.61 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 74.42 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.7 mm-40 -64.03 -32.05 73.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.726 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.0 t -76.94 -5.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 71.21 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -99.29 -58.01 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.13 110.287 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -43.04 -44.94 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 63.04 109.3 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 350' ' ' GLN . 8.4 m-85 -61.51 -56.8 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 72.44 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 1.063 ' CG ' HD11 ' A' ' 351' ' ' LEU . 5.2 mt-10 -53.91 -21.61 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.21 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.49 -20.73 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 61.24 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.771 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.7 m0 -74.18 -38.87 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 71.03 108.028 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.729 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.4 mm? -39.73 -44.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 74.33 109.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 417' ' ' SER . . . -78.84 -40.9 31.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 73.51 109.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.8 mm-40 -62.16 -16.07 50.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 72.43 110.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.14 -68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.54 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 419' ' ' VAL . 8.8 mt-10 -42.36 -50.12 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 61.44 110.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 413' ' ' ALA . 38.8 t -42.52 -53.99 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.03 110.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -53.29 -35.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 74.51 110.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.847 HG21 ' NH2' ' A' ' 344' ' ' ARG . 35.0 t -70.64 -57.79 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 65.14 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 419' ' ' VAL . 60.1 mt -40.29 -54.21 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 61.41 109.342 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.7 m -167.7 97.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.34 109.988 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -57.55 165.81 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 75.51 109.304 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -80.78 -177.52 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 70.23 110.344 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 178.0 -73.68 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 63.33 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.536 0.786 . . . . 65.23 109.316 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 328' ' ' GLY . . . . . 0.406 ' N ' ' HD3' ' A' ' 329' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.0 -0.84 . . . . 70.42 111.0 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 328' ' ' GLY . 18.2 Cg_endo -75.03 -76.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 65.55 111.035 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -148.69 177.05 9.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 71.33 109.607 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 17.2 mtp -106.95 151.38 25.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 74.35 110.996 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 4.4 t -88.4 -172.06 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 72.25 110.421 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -100.65 -61.4 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 64.52 110.251 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -110.36 136.18 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 73.04 109.343 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 335' ' ' PHE . 0.2 OUTLIER -127.49 16.14 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 70.21 111.046 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 8.18 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.43 109.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -117.57 -6.66 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 74.44 109.594 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.793 ' N ' HD23 ' A' ' 338' ' ' LEU . 0.1 OUTLIER -79.03 170.95 13.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.33 109.318 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.37 14.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 71.53 111.05 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.27 9.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.811 . . . . 75.32 111.021 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' GLU . . . . . 0.725 ' HG3' HG11 ' A' ' 419' ' ' VAL . 13.3 tt0 -96.62 -25.49 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.21 110.322 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 345' ' ' LYS . 29.2 mm100 -97.65 -44.98 6.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 71.2 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -42.91 -39.34 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 61.22 110.265 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 412' ' ' LEU . 0.4 OUTLIER -76.45 -36.25 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 54.52 110.332 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.0 tppt? -54.16 -30.37 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 75.25 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.512 ' CD ' ' CB ' ' A' ' 335' ' ' PHE . 5.3 mtp85 -77.23 -37.39 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 64.43 110.248 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' A' ' 411' ' ' TRP . 46.5 mt -54.47 -55.04 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 74.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.697 ' CG ' HD11 ' A' ' 412' ' ' LEU . 31.8 mt-30 -45.14 -38.83 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 41.43 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -70.88 -54.46 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 75.21 110.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.41 -13.77 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 72.35 110.352 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.879 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.2 tt -72.0 -58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 71.32 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.37 -27.69 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 70.3 110.285 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.27 -62.07 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.32 110.331 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.935 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.6 tpt180 -48.63 -37.2 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.13 110.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.7 t -70.48 -46.98 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -45.86 -34.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 64.11 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 361' ' ' GLU . 3.6 mm-40 -90.07 -34.28 15.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 70.14 110.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 358' ' ' LEU . 0.6 OUTLIER -53.51 -51.75 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.02 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 40.8 tp60 -63.07 -29.87 71.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 73.4 110.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -65.97 -53.8 34.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.52 109.327 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -64.54 -39.28 93.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 72.14 110.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.844 HG23 HG12 ' A' ' 398' ' ' ILE . 1.6 t -76.27 -19.63 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.31 109.315 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.7 OUTLIER -76.38 -26.4 55.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.01 109.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.545 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 11.4 pt20 -104.91 -24.65 12.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 65.22 110.273 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.851 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.47 -36.84 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 72.23 110.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 366' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.3 pt-20 -91.84 -22.57 20.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 72.1 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -78.4 -18.6 54.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 65.53 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.539 HD11 ' OG1' ' A' ' 394' ' ' THR . 7.1 mt -57.91 -57.08 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 74.24 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -48.48 -34.25 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 63.14 109.274 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 1.006 ' O ' HG13 ' A' ' 374' ' ' VAL . 10.3 mtmm -76.71 -36.83 56.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 52.35 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.553 ' O ' HG22 ' A' ' 374' ' ' VAL . 50.0 mmm -61.68 -11.9 13.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.11 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.464 ' CE ' HD11 ' A' ' 391' ' ' ILE . 21.0 mtpt -91.55 -56.42 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 75.32 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 373' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 20.5 t0 -50.74 -40.68 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 62.33 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 1.006 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.8 m -52.05 -35.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 54.44 109.269 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.786 ' CD1' HG23 ' A' ' 374' ' ' VAL . 21.1 m-30 -89.23 -31.07 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 74.42 111.069 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.21 -28.48 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 73.23 110.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 377' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.3 OUTLIER -113.7 -34.35 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 72.54 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 380' ' ' GLN . 6.5 m -131.69 67.59 79.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 72.33 110.413 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.0 1.33 7.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 54.5 111.015 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.476 ' HG2' HG22 ' A' ' 378' ' ' THR . 4.1 pt20 -72.9 -3.8 28.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 74.22 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.64 -4.55 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 64.53 110.975 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.91 170.19 32.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 44.23 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.42 142.75 31.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 70.02 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.38 11.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 64.44 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.54 -14.33 57.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.23 109.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.8 m -101.02 8.95 42.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.31 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.762 HD11 ' CE2' ' A' ' 375' ' ' TYR . 87.8 mt -115.35 -1.28 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 73.14 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.27 -47.86 2.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 63.3 110.342 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.94 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 74.02 111.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -99.45 -34.41 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 61.54 110.34 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 368' ' ' LEU . 20.8 mt -60.46 -60.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.31 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.01 -16.54 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 44.21 109.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.87 -34.52 24.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 53.33 110.292 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.539 ' OG1' HD11 ' A' ' 368' ' ' LEU . 16.0 m -77.11 -42.71 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.52 110.356 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.01 -44.15 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 74.04 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 16.2 m -74.16 -19.72 60.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 33.34 110.023 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.884 ' O ' HD12 ' A' ' 401' ' ' LEU . 35.5 m-20 -87.25 -16.04 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 73.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.851 HD11 ' HB3' ' A' ' 365' ' ' ARG . 20.0 mt -87.62 -44.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 61.41 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.836 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -68.37 -23.06 64.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.04 110.298 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.6 ptm180 -88.95 -37.85 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 73.11 110.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 397' ' ' ASN . 2.7 mt -67.96 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.21 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 358' ' ' LEU . 10.6 ptmt -48.07 -42.47 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.41 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.9 mm? -58.09 -47.92 81.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 65.11 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.714 ' HG3' HH21 ' A' ' 354' ' ' ARG . 60.3 mm-40 -60.91 -29.13 69.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 72.22 110.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.935 HG22 ' HB3' ' A' ' 354' ' ' ARG . 2.2 t -90.81 -4.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -98.65 -13.25 20.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 72.13 110.306 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -91.69 -41.21 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 63.5 109.285 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 20.1 m-85 -61.03 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 74.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.879 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.7 mt-10 -54.1 -19.96 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.53 110.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.55 -21.23 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 55.21 109.274 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.63 -40.34 63.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 72.41 107.996 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.697 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -39.84 -43.2 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 72.25 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.97 -39.63 29.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 30.34 109.347 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.2 mm-40 -63.84 -15.45 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.32 110.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.77 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 62.13 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.462 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 3.2 mt-10 -38.82 -46.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.22 110.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 27.4 t -43.22 -49.63 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.24 109.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -57.09 -37.01 71.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 65.04 110.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.725 HG11 ' HG3' ' A' ' 341' ' ' GLU . 40.3 t -66.46 -59.11 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 54.51 109.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.14 -34.17 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 72.44 109.264 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 26.4 t -68.83 -52.2 32.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 52.42 109.991 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 423' ' ' ARG . 78.1 m-20 -73.11 72.41 1.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 64.4 109.267 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 422' ' ' ASN . 78.9 mtp180 37.47 40.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 73.25 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -81.83 5.5 70.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 73.44 111.007 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 74.14 109.312 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.967 -0.853 . . . . 71.13 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.51 1.795 . . . . 73.34 111.035 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.12 -175.45 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 64.01 109.598 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 14.0 ptm -117.12 172.77 7.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 72.43 110.961 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 2.2 p -62.54 -174.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 73.24 110.379 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -126.43 -151.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.32 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.88 102.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.14 109.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 346' ' ' ARG . 43.5 p90 -101.2 11.67 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 63.23 111.012 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 41.3 m -103.84 19.94 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 73.14 109.975 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -134.88 10.42 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 73.42 109.597 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 1.022 HD22 ' NE2' ' A' ' 342' ' ' GLN . 0.3 OUTLIER -117.95 164.9 17.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 72.31 109.304 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 74.42 111.023 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.711 ' CB ' ' HB1' ' A' ' 415' ' ' ALA . 18.4 Cg_endo -74.91 1.12 8.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 74.35 111.055 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -81.33 -50.43 9.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 53.34 110.289 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 1.022 ' NE2' HD22 ' A' ' 338' ' ' LEU . 0.0 OUTLIER -98.13 -4.37 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 71.05 110.297 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 338' ' ' LEU . 50.4 tt0 -89.18 -35.06 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 75.22 110.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.498 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.0 ptm180 -70.01 -6.09 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.31 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -77.2 -44.95 28.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.1 109.271 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 335' ' ' PHE . 7.4 ptm180 -69.52 -34.89 74.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 65.34 110.323 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 411' ' ' TRP . 17.1 mt -52.13 -71.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 53.41 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.737 ' CG ' HD11 ' A' ' 412' ' ' LEU . 44.1 mt-30 -41.03 -46.52 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.13 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 351' ' ' LEU . 22.4 mt-30 -57.36 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.5 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -44.96 -25.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 62.42 110.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.812 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.7 tt -58.26 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 62.15 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.76 -46.41 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 71.23 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -57.86 -39.35 77.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.25 110.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.967 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.3 tpt180 -67.62 -27.74 67.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 71.03 110.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 35.8 t -94.62 -5.89 44.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.11 109.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -85.95 -28.13 24.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 71.45 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.824 ' OE2' HD21 ' A' ' 401' ' ' LEU . 0.5 OUTLIER -100.07 -18.04 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.23 110.326 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.972 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.3 tt -64.74 -60.49 3.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 74.42 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 53.8 tp60 -49.45 -26.14 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 65.34 110.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -66.7 -49.15 67.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 72.02 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.514 ' OE1' HD11 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -68.71 -42.05 78.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 70.41 110.329 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.826 HG23 HG12 ' A' ' 398' ' ' ILE . 2.3 t -72.93 -24.15 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 64.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.5 OUTLIER -65.98 -33.94 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.1 109.285 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.533 ' OE1' HD21 ' A' ' 368' ' ' LEU . 2.3 pt20 -104.03 -18.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 72.15 110.3 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.738 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.66 -44.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 72.3 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.72 -25.37 26.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.1 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -61.17 -40.95 95.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 51.54 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.533 HD21 ' OE1' ' A' ' 364' ' ' GLN . 5.0 mt -50.58 -54.35 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 63.21 109.325 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -49.54 -24.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 75.21 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 1.003 ' O ' HG13 ' A' ' 374' ' ' VAL . 18.6 mtmm -91.24 -31.06 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.31 109.366 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.599 ' O ' ' CE2' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -63.5 -10.39 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 73.22 111.013 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -94.36 -59.03 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.25 109.292 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 373' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.5 t70 -47.91 -34.07 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 70.11 109.331 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 1.003 HG13 ' O ' ' A' ' 370' ' ' LYS . 18.1 m -60.05 -39.58 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 62.41 109.287 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.68 ' CD1' HG23 ' A' ' 374' ' ' VAL . 17.5 m-85 -85.58 -19.89 30.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 70.54 110.981 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.9 -31.15 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 65.31 110.304 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 377' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -113.0 -34.4 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 52.31 109.285 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.824 HG22 ' HG2' ' A' ' 380' ' ' GLN . 33.9 m -126.61 86.12 59.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.22 110.396 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.58 8.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 62.2 111.046 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.824 ' HG2' HG22 ' A' ' 378' ' ' THR . 6.7 pt20 -79.0 2.41 20.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 71.34 110.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 9.9 mtm -103.17 -47.87 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 74.3 111.022 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.654 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -176.19 -157.68 17.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 75.12 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.503 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 33.2 m-20 -122.0 141.3 33.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.2 Cg_endo -75.01 -27.58 9.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 73.11 110.992 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -73.79 -4.58 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.34 109.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 27.0 t -97.78 7.18 46.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.5 109.992 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 391' ' ' ILE . 1.4 mt -115.9 -0.34 12.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 70.42 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.6 OUTLIER -74.05 -45.93 6.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.23 110.318 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.56 21.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 71.12 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.404 ' HG2' HD13 ' A' ' 368' ' ' LEU . 16.8 tt0 -99.49 -33.28 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 75.23 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 387' ' ' LEU . 11.2 mt -64.78 -59.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 41.14 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.09 -17.02 22.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 65.35 109.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.66 -35.25 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 64.11 110.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.492 HG21 ' HA ' ' A' ' 365' ' ' ARG . 2.4 m -70.28 -42.92 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.31 110.391 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 395' ' ' LEU . 4.0 mm? -61.41 -54.61 41.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 73.01 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 396' ' ' SER . . . . . 0.416 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 1.1 m -64.44 -19.44 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 72.24 109.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.835 ' O ' HD12 ' A' ' 401' ' ' LEU . 68.7 m-20 -91.84 -12.21 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 62.51 109.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.826 HG12 HG23 ' A' ' 362' ' ' VAL . 15.7 mt -93.7 -34.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 71.03 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.3 OUTLIER -79.73 -23.15 42.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 75.14 110.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.5 ptm180 -91.45 -7.14 51.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 75.45 110.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.996 ' O ' HG23 ' A' ' 405' ' ' VAL . 9.2 mt -96.65 -61.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 55.3 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.498 ' HB3' HD11 ' A' ' 358' ' ' LEU . 7.8 ptmm? -53.64 -52.85 58.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 74.13 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.32 -51.41 11.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 65.42 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.726 ' HG3' HH21 ' A' ' 354' ' ' ARG . 72.5 mm-40 -61.83 -32.51 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.21 110.33 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 401' ' ' LEU . 11.2 t -77.69 -5.1 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 63.24 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.26 -58.0 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 62.25 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.84 -44.95 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 74.44 109.287 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 12.5 m-85 -60.7 -60.51 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.3 110.983 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.812 ' CG ' HD11 ' A' ' 351' ' ' LEU . 6.8 mt-10 -54.1 -19.22 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 54.41 110.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.5 -20.96 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 62.41 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -74.72 -40.9 61.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 73.04 108.037 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.737 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.0 mm? -39.43 -42.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.3 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.76 -40.97 24.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.21 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.446 ' O ' ' NE ' ' A' ' 418' ' ' ARG . 0.8 OUTLIER -62.22 -15.85 49.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.22 110.339 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.711 ' HB1' ' CB ' ' A' ' 340' ' ' PRO . . . -104.88 -65.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 72.24 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.498 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.5 mt-10 -40.28 -49.72 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 74.45 110.349 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.9 t -39.21 -51.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.51 110.015 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 418' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 2.9 mpt_? -71.49 -47.75 53.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.42 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 422' ' ' ASN . 57.8 t -40.68 -66.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 71.01 109.272 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 mt -42.53 -37.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 75.52 109.295 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 418' ' ' ARG . 1.1 m -66.68 -45.67 78.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 45.14 109.995 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 422' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 419' ' ' VAL . 1.9 p30 -118.24 99.49 6.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 63.42 109.341 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -133.72 142.92 48.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 73.45 110.273 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.88 -6.11 40.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 63.21 111.034 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 74.25 109.345 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 60.21 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.85 5.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 61.23 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.96 163.59 12.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 62.44 109.565 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 331' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 332' ' ' THR . 5.8 tmm? -101.89 150.32 23.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 65.34 111.017 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.437 ' N ' ' SD ' ' A' ' 331' ' ' MET . 1.3 t -73.75 -177.59 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 73.24 110.398 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 332' ' ' THR . 13.6 mp0 -151.41 117.55 5.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 71.42 110.301 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 334' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 333' ' ' GLU . 1.7 m-20 75.58 65.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 75.21 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 346' ' ' ARG . 19.0 m-85 -52.72 -24.3 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 51.42 111.027 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 14.3 p -73.58 -31.52 63.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.41 110.023 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -66.9 -10.34 47.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 73.45 109.627 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 335' ' ' PHE . 13.1 mt -78.14 158.03 77.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 73.21 109.29 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 173.9 13.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 63.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.416 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.2 Cg_endo -75.07 0.69 8.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 71.01 110.977 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -97.4 -31.97 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -98.05 -23.3 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 34.2 110.298 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -57.9 -33.97 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 75.5 110.312 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.469 ' CD ' ' HG2' ' A' ' 416' ' ' GLU . 6.7 ptm180 -86.74 -6.11 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 75.12 110.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 345' ' ' LYS . 4.0 tptt -82.71 -23.12 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.14 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 335' ' ' PHE . 18.8 ptt180 -86.8 -35.93 18.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 71.4 110.297 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.559 HD13 ' HB2' ' A' ' 411' ' ' TRP . 35.6 mt -55.08 -58.93 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 64.33 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.634 ' CG ' HD11 ' A' ' 412' ' ' LEU . 22.5 mt-30 -38.93 -61.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 75.32 110.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.72 -61.51 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 54.25 110.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -51.95 -20.76 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.325 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 1.041 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -70.49 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 63.23 109.328 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -52.95 -20.25 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 74.21 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 356' ' ' ARG . 5.1 mm-40 -78.26 -69.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 65.04 110.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.786 ' HB3' HG23 ' A' ' 405' ' ' VAL . 8.6 mmt-85 -44.79 -26.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.42 110.25 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.434 ' HA ' HG21 ' A' ' 405' ' ' VAL . 1.8 p -85.13 -39.93 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 44.33 109.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 353' ' ' GLU . 13.3 mtp180 -61.26 -41.03 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.11 110.284 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.928 ' OE1' HD21 ' A' ' 401' ' ' LEU . 2.9 pt-20 -82.33 1.92 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 71.42 110.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.747 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.8 OUTLIER -86.97 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.03 109.277 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 56.2 tp60 -51.13 -21.55 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 71.15 110.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -65.21 -55.98 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.45 109.308 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -68.28 -33.32 74.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 71.32 110.319 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.749 HG23 HG12 ' A' ' 398' ' ' ILE . 2.6 t -78.67 -18.07 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.22 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -79.71 -28.69 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 62.31 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.498 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 9.0 pt20 -103.23 -22.58 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.44 110.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.534 ' HA ' HG21 ' A' ' 394' ' ' THR . 0.5 OUTLIER -39.01 -62.92 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 71.21 110.275 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.68 -21.53 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 75.15 110.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -67.62 -35.11 78.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.34 109.348 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 391' ' ' ILE . 17.0 mt -50.67 -44.05 57.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 60.1 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -54.27 -38.9 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.51 109.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.958 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.1 OUTLIER -70.05 -36.31 74.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 55.22 109.259 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.606 ' O ' HG22 ' A' ' 374' ' ' VAL . 56.6 mmm -63.33 -10.79 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 61.32 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.545 ' NZ ' ' CD1' ' A' ' 391' ' ' ILE . 14.6 mtpt -89.9 -55.33 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 75.03 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.34 -41.38 60.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 71.25 109.306 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.958 HG13 ' O ' ' A' ' 370' ' ' LYS . 6.1 m -51.42 -34.3 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.2 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.832 ' CD1' HG23 ' A' ' 374' ' ' VAL . 18.6 m-30 -91.28 -24.94 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 74.43 111.016 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.48 -27.72 68.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 72.42 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.9 -36.4 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 71.14 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.676 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.5 m -125.98 85.78 58.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 72.32 110.448 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.471 1.774 . . . . 70.44 110.987 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.676 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.6 pt20 -81.41 1.2 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 61.23 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.442 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 7.0 mtt -94.9 -48.99 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 73.32 111.013 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.87 -151.27 7.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.16 . . . . 63.11 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.99 134.0 25.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 73.54 109.335 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.55 9.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.789 . . . . 71.12 110.985 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.35 -18.92 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 73.31 109.295 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 8.1 t -92.22 7.25 43.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 60.55 110.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 375' ' ' TYR . 94.5 mt -108.71 -12.73 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 75.34 109.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -69.87 -46.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 64.34 110.271 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.792 . . . . 72.25 110.988 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -99.57 -36.56 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 52.05 110.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.545 ' CD1' ' NZ ' ' A' ' 372' ' ' LYS . 20.9 mt -65.53 -58.71 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 74.04 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.56 -15.84 31.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 51.22 109.35 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -83.18 -33.86 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 71.53 110.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 365' ' ' ARG . 3.1 m -66.28 -47.56 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 65.34 110.422 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 395' ' ' LEU . 2.5 mm? -57.51 -55.46 34.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.21 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -28.04 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 52.1 110.037 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.602 ' O ' HD12 ' A' ' 401' ' ' LEU . 92.9 m-20 -86.12 -13.95 45.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.54 109.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.749 HG12 HG23 ' A' ' 362' ' ' VAL . 18.2 mt -88.16 -37.99 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 75.44 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.5 OUTLIER -76.45 -20.51 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 62.12 110.304 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.7 ptm180 -90.37 -8.05 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 64.02 110.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.928 HD21 ' OE1' ' A' ' 357' ' ' GLU . 7.7 mt -96.8 -63.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 55.43 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 358' ' ' LEU . 8.3 ptmt -51.7 -42.95 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.1 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.6 OUTLIER -51.91 -49.66 62.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 64.31 109.304 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.6 mm-40 -66.35 -30.66 71.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 63.11 110.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.786 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.4 t -77.03 -5.17 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 72.11 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -99.17 -58.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 71.25 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -42.67 -45.42 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 35.35 109.29 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.62 ' O ' HD23 ' A' ' 412' ' ' LEU . 8.4 m-85 -61.54 -57.18 13.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 74.43 111.002 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 1.041 ' CG ' HD11 ' A' ' 351' ' ' LEU . 7.1 mt-10 -54.72 -20.97 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.03 110.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.45 -20.24 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 70.04 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.64 -39.89 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.966 -1.124 . . . . 72.11 107.966 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -40.06 -42.76 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 75.31 109.309 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -39.41 28.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 62.21 109.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -63.99 -15.68 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.13 110.29 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.87 -61.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 64.24 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.469 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 27.6 mt-10 -38.68 -41.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 72.33 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -51.63 26.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 74.43 109.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -54.76 -33.07 60.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 74.41 110.25 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 54.9 t -73.38 -67.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 63.41 109.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 14.3 mt -40.63 -58.71 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 55.41 109.283 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 10.9 t -50.1 -52.89 31.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 74.52 109.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -70.66 93.24 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 72.22 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -115.58 162.5 17.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 72.31 110.298 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -106.25 76.29 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 63.22 111.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 70.53 109.293 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.952 -0.859 . . . . 71.23 110.952 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.83 40.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 72.11 110.997 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -139.82 169.3 17.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 75.31 109.586 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 35.6 mtp -143.25 144.17 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 73.45 110.976 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 27.8 p -83.69 -172.7 4.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 70.2 110.422 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -102.29 -20.69 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 63.24 110.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -169.07 118.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 61.41 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.532 ' CD1' ' HD3' ' A' ' 346' ' ' ARG . 7.0 m-85 -86.26 43.94 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 74.11 111.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 4.8 t -112.87 9.04 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 73.2 109.992 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -110.82 -10.47 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.33 109.579 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.542 HD13 ' NH1' ' A' ' 346' ' ' ARG . 0.1 OUTLIER -103.1 169.51 7.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 75.33 109.333 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 54.02 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.467 ' O ' ' NH1' ' A' ' 344' ' ' ARG . 18.2 Cg_endo -75.05 -32.44 5.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 53.41 111.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.57 -28.64 67.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 71.04 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -98.35 -28.27 13.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.14 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.408 ' HB3' ' HA ' ' A' ' 340' ' ' PRO . 13.5 tt0 -61.48 -61.63 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.13 110.244 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.899 HH21 ' C ' ' A' ' 415' ' ' ALA . 2.2 ptp85 -62.96 -16.2 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 73.54 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -30.56 64.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 74.35 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.542 ' NH1' HD13 ' A' ' 338' ' ' LEU . 6.0 mtt85 -73.81 -48.24 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.04 110.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.639 HD22 ' CD1' ' A' ' 408' ' ' TYR . 18.5 mt -40.2 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.54 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.788 ' HG2' HD11 ' A' ' 412' ' ' LEU . 26.5 mt-30 -38.48 -58.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.52 110.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -50.93 -67.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 72.33 110.296 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -51.23 -21.24 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 73.2 110.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.746 HD23 ' CB ' ' A' ' 408' ' ' TYR . 0.6 OUTLIER -72.91 -42.87 63.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 74.3 109.254 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -67.26 -15.85 63.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.44 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 356' ' ' ARG . 13.2 mt-10 -84.98 -60.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.24 110.346 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.644 ' CB ' HG22 ' A' ' 405' ' ' VAL . 36.8 mmt-85 -40.16 -42.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.53 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.0 t -68.95 -43.16 75.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 74.11 110.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 353' ' ' GLU . 5.5 mmm180 -54.13 -37.87 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 64.1 110.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 2.0 mm-40 -85.19 -34.78 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 71.44 110.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.813 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -62.3 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 63.35 109.301 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 2.2 tp-100 -38.79 -32.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.13 110.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 360' ' ' LYS . . . . . 0.459 ' NZ ' ' CB ' ' A' ' 360' ' ' LYS . 6.1 mtpm? -70.63 -52.96 17.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 73.42 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 358' ' ' LEU . 7.5 mm-40 -58.05 -46.71 84.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.21 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 398' ' ' ILE . 2.2 t -70.48 -34.81 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 74.12 109.283 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.9 OUTLIER -58.42 -37.94 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 61.44 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.713 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 11.4 pt20 -93.71 -23.85 18.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 71.25 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.763 ' HB2' HD11 ' A' ' 398' ' ' ILE . 1.0 OUTLIER -40.61 -47.48 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 72.21 110.3 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -86.31 -22.94 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.33 110.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -72.75 -19.87 61.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 72.41 109.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.627 HD13 ' HG3' ' A' ' 390' ' ' GLN . 9.6 mt -58.92 -58.35 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.1 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 369' ' ' LYS . . . . . 0.442 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 4.6 mtmp? -48.33 -36.4 14.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 72.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.976 ' O ' HG13 ' A' ' 374' ' ' VAL . 11.2 mtpp -68.06 -38.61 82.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 70.51 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.533 ' O ' HG22 ' A' ' 374' ' ' VAL . 60.8 mmm -65.45 -9.11 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.22 111.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.639 ' HD2' HD11 ' A' ' 391' ' ' ILE . 3.9 mtpm? -91.93 -57.79 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.51 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.32 -40.42 35.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.33 109.351 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.976 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.7 m -53.42 -36.57 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 74.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.779 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.1 m-30 -87.11 -30.54 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 73.33 111.031 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.9 -28.17 63.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 71.22 110.315 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 -34.81 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 62.31 109.335 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.6 m -132.47 69.29 79.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 73.32 110.419 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 379' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.2 Cg_endo -75.04 1.07 8.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 54.5 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.47 ' HG2' HG22 ' A' ' 378' ' ' THR . 8.3 pt20 -72.4 -3.96 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 64.2 110.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.25 -4.21 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 75.11 110.981 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 179.57 41.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 53.53 111.005 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.25 143.05 47.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 73.21 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 52.52 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.68 -13.03 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 61.33 109.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 96.2 p -101.04 8.96 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.11 110.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 375' ' ' TYR . 15.6 mt -116.86 -1.7 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 75.11 109.242 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 5.7 mm-40 -78.66 -43.69 1.93 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 65.02 110.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.0 -20.39 16.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 54.52 111.007 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.627 ' HG3' HD13 ' A' ' 368' ' ' LEU . 1.1 pt20 -89.45 -34.4 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.03 110.316 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 387' ' ' LEU . 12.3 mt -60.17 -57.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 74.14 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.88 47.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 42.53 109.289 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 7.3 tt0 -86.88 -32.7 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.33 110.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.3 m -70.61 -33.69 71.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 75.44 110.378 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 395' ' ' LEU . 3.8 mm? -66.67 -60.94 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.03 109.335 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 396' ' ' SER . . . . . 0.455 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 0.2 OUTLIER -59.29 -25.93 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.51 110.022 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.824 ' O ' HD12 ' A' ' 401' ' ' LEU . 81.6 m-20 -83.89 -17.66 40.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.42 109.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.763 HD11 ' HB2' ' A' ' 365' ' ' ARG . 9.3 mt -86.81 -46.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.14 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.455 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.5 OUTLIER -67.1 -35.62 80.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 74.25 110.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.3 ptm180 -72.19 -9.71 58.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.32 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 397' ' ' ASN . 2.8 mt -96.8 -65.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 74.33 109.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.459 ' HG3' HD23 ' A' ' 403' ' ' LEU . 13.0 ptpt -45.77 -54.38 8.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 71.11 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 402' ' ' LYS . 1.0 OUTLIER -43.0 -51.06 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.11 109.275 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 54.1 mm-40 -64.37 -33.33 75.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.23 110.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 401' ' ' LEU . 38.1 t -74.48 -5.9 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.53 109.313 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' GLN . . . . . 0.412 ' CD ' ' O ' ' A' ' 402' ' ' LYS . 0.8 OUTLIER -99.17 -57.92 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 72.41 110.319 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.6 OUTLIER -45.53 -44.41 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 65.11 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.746 ' CB ' HD23 ' A' ' 351' ' ' LEU . 5.6 m-85 -63.21 -59.05 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.13 111.018 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -53.48 -19.83 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 53.21 110.271 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.46 -24.9 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.42 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -69.3 -40.27 77.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.973 -1.121 . . . . 62.35 107.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.788 HD11 ' HG2' ' A' ' 348' ' ' GLN . 2.9 mm? -40.43 -42.79 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 64.41 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.53 -38.43 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 64.51 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 63.21 110.265 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.899 ' C ' HH21 ' A' ' 344' ' ' ARG . . . -104.7 -58.2 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 63.2 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.568 ' N ' HH21 ' A' ' 344' ' ' ARG . 15.7 mt-10 -43.29 -27.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.33 110.284 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 415' ' ' ALA . 6.4 t -52.72 -46.86 67.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.45 109.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -56.0 -44.94 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 73.31 110.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.49 ' CG2' ' NH1' ' A' ' 344' ' ' ARG . 14.9 t -58.6 -68.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 63.13 109.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.6 mt -40.28 -51.15 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 64.4 109.305 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 29.1 t -50.42 -57.86 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.13 109.988 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -67.36 136.09 54.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 74.13 109.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -138.43 128.11 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 74.34 110.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -99.97 -22.89 11.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 63.13 110.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 73.33 109.324 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.968 -0.853 . . . . 60.45 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.58 11.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.755 . . . . 73.33 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -110.06 139.36 45.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 74.13 109.617 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 9.2 tpt -117.91 151.01 38.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 63.44 110.969 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 2.4 p -141.19 167.62 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 73.41 110.392 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -121.19 -50.23 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 65.14 110.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -103.44 16.39 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 65.35 109.287 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.426 ' CG ' ' HD3' ' A' ' 346' ' ' ARG . 21.5 m-85 38.77 47.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 72.41 110.985 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 6.3 t -104.34 -19.85 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 54.35 110.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -71.4 -13.06 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 75.51 109.593 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.31 164.97 14.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 73.5 109.27 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.4 14.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 73.31 111.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.887 ' HB2' HG23 ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.03 -0.22 9.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.493 1.786 . . . . 24.51 111.033 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -95.32 -38.92 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 74.11 110.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.86 -5.32 34.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 45.23 110.301 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -89.84 -37.26 14.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 70.53 110.311 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.78 -19.2 57.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 73.23 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.65 81.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 73.11 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.426 ' HD3' ' CG ' ' A' ' 335' ' ' PHE . 20.8 mtp85 -59.15 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 72.15 110.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.646 HD13 ' CB ' ' A' ' 411' ' ' TRP . 8.1 mt -40.3 -62.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 63.21 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.571 ' CG ' HD11 ' A' ' 412' ' ' LEU . 27.7 mt-30 -54.52 -43.24 71.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 52.02 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 351' ' ' LEU . 11.0 mt-30 -61.7 -76.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.45 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 350' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 346' ' ' ARG . 9.1 mm100 -45.3 -25.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 74.32 110.3 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.625 HD12 HG13 ' A' ' 405' ' ' VAL . 17.7 tp -66.84 -48.9 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 73.35 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 7.0 tt0 -66.2 -16.23 63.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 70.35 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -92.27 -35.47 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.23 110.318 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.831 ' HB3' HG22 ' A' ' 405' ' ' VAL . 4.9 tpt180 -73.83 -45.55 50.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.34 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.4 p -70.57 -6.48 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 72.53 109.971 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 2.0 mmm180 -88.02 -56.17 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 65.33 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.549 ' CD ' HD21 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -71.43 -5.86 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 72.2 110.263 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.875 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -90.39 -40.12 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 75.51 109.295 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.477 ' N ' HD13 ' A' ' 358' ' ' LEU . 39.7 tp60 -63.96 -13.89 49.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 52.03 110.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -93.15 -10.68 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 64.32 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.473 ' OE1' HG23 ' A' ' 394' ' ' THR . 75.3 mm-40 -103.45 -40.84 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.44 110.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.57 HG23 HG12 ' A' ' 398' ' ' ILE . 2.5 t -76.77 -34.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 51.14 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 5.5 t70 -61.08 -30.59 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 63.32 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 367' ' ' ALA . 17.0 pt20 -104.69 -21.79 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 35.5 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.79 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.6 OUTLIER -37.6 -49.55 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 71.22 110.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -33.46 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 71.24 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -53.05 -45.69 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.01 109.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.73 HD13 ' HG2' ' A' ' 390' ' ' GLN . 3.6 mt -48.59 -65.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 61.2 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -51.38 -22.31 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 51.24 109.332 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -33.44 29.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 61.4 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.578 ' HB2' HD13 ' A' ' 387' ' ' LEU . 68.3 mmm -70.19 -7.02 38.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 41.11 111.031 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 391' ' ' ILE . 16.0 mttt -86.82 -59.09 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.45 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -48.85 -47.35 42.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.31 109.313 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.591 HG23 ' CD1' ' A' ' 375' ' ' TYR . 19.3 m -55.34 -38.46 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 73.34 109.249 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.591 ' CD1' HG23 ' A' ' 374' ' ' VAL . 12.6 m-30 -84.63 -15.59 44.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 72.01 111.012 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 376' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.3 mm-40 -76.47 -33.83 58.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 64.11 110.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -38.13 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 61.02 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.721 HG22 ' HG2' ' A' ' 380' ' ' GLN . 7.4 m -119.76 82.49 27.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 74.31 110.384 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 53.12 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.721 ' HG2' HG22 ' A' ' 378' ' ' THR . 7.0 pt20 -78.25 -0.33 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 73.15 110.247 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.506 ' HE3' ' HB ' ' A' ' 378' ' ' THR . 9.7 mtt -95.83 -49.22 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 30.45 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -172.39 -163.1 25.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 74.32 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.88 132.6 22.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.77 . . . . 74.13 109.308 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.54 11.82 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 73.25 110.975 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.11 -14.12 59.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.04 109.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 t -96.49 6.09 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 75.12 110.019 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.578 HD13 ' HB2' ' A' ' 371' ' ' MET . 21.1 mt -108.14 -6.71 16.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 74.15 109.256 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.8 mt-10 -75.73 -47.14 4.04 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 60.21 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.99 -7.53 19.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 73.41 111.062 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.73 ' HG2' HD13 ' A' ' 368' ' ' LEU . 44.2 tt0 -99.03 -34.77 10.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.24 110.282 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.657 HD11 ' HD2' ' A' ' 372' ' ' LYS . 27.9 mt -66.44 -58.41 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 75.4 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.74 -16.57 28.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 74.34 109.313 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.406 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 14.4 tt0 -83.89 -34.72 24.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.41 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 398' ' ' ILE . 7.2 m -85.64 -24.7 26.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 72.43 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 395' ' ' LEU . 3.9 mm? -76.04 -55.84 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.03 109.263 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 1.7 t -64.66 -16.96 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 32.15 109.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 55.7 m-20 -90.51 -17.61 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.24 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.79 HD11 ' HB2' ' A' ' 365' ' ' ARG . 9.3 mt -84.6 -44.2 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 63.44 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.97 -22.07 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 73.11 110.338 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptm180 -95.36 -8.78 34.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.45 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.875 HD13 ' HA ' ' A' ' 358' ' ' LEU . 2.4 mt -96.78 -75.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.35 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.48 ' HG3' HD22 ' A' ' 403' ' ' LEU . 12.3 ptmm? -40.37 -49.51 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 42.11 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 402' ' ' LYS . 2.7 mm? -46.97 -53.71 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 42.14 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.654 ' HG3' HH21 ' A' ' 354' ' ' ARG . 53.0 mm-40 -64.5 -30.85 71.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 75.25 110.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 354' ' ' ARG . 12.1 t -77.51 -5.57 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 62.25 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -99.01 -58.04 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 74.13 110.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 6.4 ptpt -42.23 -43.66 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 73.32 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.5 m-85 -61.85 -58.82 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 73.43 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -52.68 -21.02 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 65.24 110.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.41 -22.15 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 71.55 109.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.646 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.5 m0 -72.55 -38.85 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 63.03 108.012 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.4 mm? -40.12 -44.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.02 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.81 35.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 61.23 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.87 -15.14 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 72.12 110.304 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -63.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.4 109.329 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 419' ' ' VAL . 78.6 mt-10 -41.79 -37.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 40.03 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 t -40.01 -46.72 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 73.13 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -58.67 -46.79 86.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 75.13 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.887 HG23 ' HB2' ' A' ' 340' ' ' PRO . 23.3 t -55.17 -67.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 75.11 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.8 mt -40.95 -54.89 2.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 72.44 109.258 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 422' ' ' ASN . 4.4 p -47.56 -60.8 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 75.24 109.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 422' ' ' ASN . . . . . 0.42 ' N ' ' OG ' ' A' ' 421' ' ' SER . 47.9 m-80 -60.54 129.88 43.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.2 109.312 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.518 ' H ' ' NE ' ' A' ' 423' ' ' ARG . 0.2 OUTLIER -72.45 -173.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 75.23 110.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 423' ' ' ARG . . . -176.19 58.51 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 73.1 111.034 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 62.4 109.295 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.83 . . . . 74.42 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -77.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 72.24 111.004 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -124.42 -173.38 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 63.44 109.575 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 331' ' ' MET . . . . . 0.603 ' CE ' HG22 ' A' ' 332' ' ' THR . 15.7 tpt -133.16 154.03 50.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 71.55 110.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.775 HG23 ' N ' ' A' ' 333' ' ' GLU . 5.1 t -60.09 -148.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.21 110.394 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.775 ' N ' HG23 ' A' ' 332' ' ' THR . 36.8 mt-10 -106.41 103.1 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 75.42 110.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 334' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 333' ' ' GLU . 2.8 p-10 -36.31 120.91 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 65.33 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.573 ' HA ' HD11 ' A' ' 338' ' ' LEU . 2.2 p90 -77.63 3.91 12.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.2 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 8.5 t -82.58 6.81 16.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 65.44 109.988 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 337' ' ' HIS . 31.7 t-80 -125.98 18.49 7.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 75.13 109.599 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.64 HD13 ' OE1' ' A' ' 342' ' ' GLN . 0.0 OUTLIER -133.91 166.04 32.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 73.21 109.312 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.17 21.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 71.35 110.98 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 343' ' ' GLN . 18.2 Cg_endo -75.02 2.02 7.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 71.44 110.966 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 341' ' ' GLU . . . . . 0.438 ' HB2' HG13 ' A' ' 419' ' ' VAL . 11.2 tm-20 -82.05 -52.4 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 73.33 110.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.64 ' OE1' HD13 ' A' ' 338' ' ' LEU . 1.6 pt20 -93.98 -5.78 46.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.11 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.57 ' HB2' HD12 ' A' ' 338' ' ' LEU . 25.4 tt0 -88.31 -34.4 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 71.42 110.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.506 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.9 ptm180 -65.14 -36.11 83.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.4 110.319 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 344' ' ' ARG . 4.5 ptpt -55.99 -32.66 64.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 75.04 109.299 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.443 ' CD ' ' HB3' ' A' ' 335' ' ' PHE . 3.0 mtp85 -68.96 -43.28 75.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 71.13 110.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.652 HD13 ' CB ' ' A' ' 411' ' ' TRP . 29.2 mt -58.61 -75.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 72.43 109.333 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.745 ' HG2' HD11 ' A' ' 412' ' ' LEU . 0.1 OUTLIER -40.04 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 72.25 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.58 -65.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 71.23 110.29 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.79 -11.51 37.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 72.3 110.309 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.1 tt -61.81 -61.68 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 71.33 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.3 tt0 -51.16 -21.71 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 42.3 110.261 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 38.1 mm-40 -74.86 -70.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.13 110.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.852 ' HB3' HG23 ' A' ' 405' ' ' VAL . 3.5 mmt-85 -39.85 -40.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 70.03 110.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 10.8 t -73.78 -43.36 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 45.21 109.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 14.0 mmt180 -54.89 -46.72 74.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.2 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.757 ' OE1' HD21 ' A' ' 401' ' ' LEU . 2.9 pt-20 -79.75 3.5 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.13 110.32 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.678 ' HA ' HD13 ' A' ' 401' ' ' LEU . 3.3 tt -85.89 -61.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 71.3 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -61.42 -13.85 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.4 110.273 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -84.98 -21.6 29.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 72.52 109.332 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.549 ' HG3' HD11 ' A' ' 401' ' ' LEU . 11.5 mm-40 -92.16 -40.57 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.51 110.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.572 ' CG2' HD13 ' A' ' 398' ' ' ILE . 2.4 t -73.1 -26.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 74.34 109.333 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.82 -28.27 64.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 60.12 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 367' ' ' ALA . 12.5 pt20 -99.95 -24.04 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 65.32 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.557 ' HE ' HD21 ' A' ' 395' ' ' LEU . 1.5 mtp-105 -36.57 -66.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.35 110.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -66.3 -25.54 66.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 71.3 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -62.09 -38.64 89.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 74.53 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.755 HD13 ' HG2' ' A' ' 390' ' ' GLN . 8.1 mt -55.89 -44.87 78.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.33 109.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 369' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 369' ' ' LYS . 5.7 mtpp -62.85 -23.58 67.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 63.54 109.264 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.853 ' O ' HG13 ' A' ' 374' ' ' VAL . 19.6 mtpt -80.14 -35.34 36.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 62.2 109.291 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.62 ' O ' HG22 ' A' ' 374' ' ' VAL . 66.1 mmm -66.48 -8.72 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 74.03 110.997 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.474 ' HG3' HD13 ' A' ' 387' ' ' LEU . 6.4 mtpt -88.59 -55.74 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 53.42 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -50.5 -43.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 62.34 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.9 m -50.95 -33.72 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.34 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.847 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.6 m-30 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 75.21 110.988 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.3 -25.77 67.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 74.21 110.306 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 -36.69 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 61.14 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.864 HG22 ' HG2' ' A' ' 380' ' ' GLN . 11.4 m -129.46 88.27 50.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.41 110.388 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.13 9.28 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 75.43 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.864 ' HG2' HG22 ' A' ' 378' ' ' THR . 8.1 pt20 -80.66 1.99 27.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 74.41 110.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.422 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 6.6 mtm -95.76 -48.13 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.02 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.536 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -174.35 -164.53 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 73.4 110.961 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.77 135.02 21.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 70.33 109.338 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 384' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.1 Cg_endo -75.02 -23.98 13.23 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.421 1.748 . . . . 73.14 111.016 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.84 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 60.32 109.28 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 1.8 t -97.11 3.47 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 35.54 109.954 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 384' ' ' PRO . 9.0 mt -108.52 -4.88 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 55.32 109.3 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -77.7 -47.67 2.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.51 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 62.53 110.971 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.755 ' HG2' HD13 ' A' ' 368' ' ' LEU . 4.0 tt0 -99.56 -35.1 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.14 110.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.648 ' HA ' HD12 ' A' ' 368' ' ' LEU . 24.7 mt -64.8 -69.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 71.32 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.08 -23.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 75.53 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -73.01 -40.14 65.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 74.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.3 m -75.02 -25.21 58.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.55 110.4 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.557 HD21 ' HE ' ' A' ' 365' ' ' ARG . 2.4 mm? -88.86 -27.64 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.14 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 15.6 t -87.97 -10.33 50.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 71.1 110.018 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -102.12 -45.46 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.13 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.709 ' HA ' HD12 ' A' ' 401' ' ' LEU . 12.4 mt -55.05 -37.96 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 74.23 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.57 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -64.44 -22.47 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.35 110.306 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -95.99 -26.83 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.2 110.266 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.757 HD21 ' OE1' ' A' ' 357' ' ' GLU . 19.0 mt -67.56 -52.35 39.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 72.15 109.299 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.539 ' HB3' HD11 ' A' ' 358' ' ' LEU . 2.6 ptmt -68.61 -41.98 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.52 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.7 OUTLIER -56.93 -53.98 51.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.23 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.601 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 50.9 mm-40 -62.21 -23.61 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 74.22 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.852 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.3 t -89.33 -5.31 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.41 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -99.2 -13.87 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 63.52 110.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -97.73 -42.0 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 73.43 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.2 m-85 -61.73 -60.04 4.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 72.53 111.05 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.893 ' CG ' HD11 ' A' ' 351' ' ' LEU . 9.7 mt-10 -54.11 -19.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.43 110.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -21.28 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 75.41 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.652 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.9 m0 -74.33 -41.29 61.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 74.41 107.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.745 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.2 mm? -38.96 -43.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 70.32 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.99 -41.15 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 65.13 109.236 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.4 mm-40 -62.3 -15.75 49.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 71.4 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.97 -63.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 53.24 109.309 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.506 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.4 mt-10 -38.9 -52.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 71.25 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 39.3 t -48.9 -48.97 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 72.41 110.01 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -60.17 -32.61 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 53.31 110.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 341' ' ' GLU . 46.4 t -69.44 -66.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 71.54 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt -42.77 -46.87 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 50.42 109.318 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -41.65 -52.08 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 63.21 109.964 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -86.23 130.2 34.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 61.31 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -97.06 -6.78 34.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 64.15 110.301 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 95.59 -19.32 54.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 64.35 110.966 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 75.31 109.319 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 328' ' ' GLY . . . . . 0.419 ' N ' ' HD3' ' A' ' 329' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.025 -0.83 . . . . 53.13 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 328' ' ' GLY . 18.3 Cg_endo -75.04 -179.79 5.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 75.55 110.954 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.8 -168.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 71.44 109.587 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' A' ' 331' ' ' MET . 0.3 OUTLIER -126.72 -177.72 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 75.03 111.027 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.496 HG23 ' N ' ' A' ' 333' ' ' GLU . 13.2 t -61.28 -155.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 74.34 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.496 ' N ' HG23 ' A' ' 332' ' ' THR . 34.0 mt-10 -100.96 -71.86 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 73.35 110.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -110.88 133.06 53.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 71.23 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.724 ' HA ' HD11 ' A' ' 338' ' ' LEU . 0.1 OUTLIER -120.02 19.5 12.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 74.43 110.982 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 33.3 t -98.53 11.66 37.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 61.11 109.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -130.02 22.1 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 74.05 109.584 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.724 HD11 ' HA ' ' A' ' 335' ' ' PHE . 0.1 OUTLIER -104.53 169.53 7.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 73.03 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 71.34 110.991 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.685 ' HB2' HH21 ' A' ' 344' ' ' ARG . 18.2 Cg_endo -75.07 -30.32 7.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 73.45 110.987 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.97 -28.05 66.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 72.14 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.41 ' CD ' ' HZ2' ' A' ' 345' ' ' LYS . 5.4 mm-40 -97.9 -31.95 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.23 110.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -58.17 -69.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 70.53 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.747 HH12 ' N ' ' A' ' 416' ' ' GLU . 5.5 ptp180 -43.58 -38.45 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 62.54 110.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' A' ' 342' ' ' GLN . 1.6 ttpt -52.51 -49.65 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 74.24 109.308 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 347' ' ' LEU . 21.1 mtp85 -71.12 -43.89 66.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.11 110.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 344' ' ' ARG . 53.6 mt -39.19 -51.45 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.31 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.817 ' CG ' HD11 ' A' ' 412' ' ' LEU . 17.3 mt-30 -68.02 -43.62 78.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 71.41 110.337 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.83 -72.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 45.23 110.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 353' ' ' GLU . 38.2 mm-40 -45.51 -41.73 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 72.03 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.784 HD12 HG13 ' A' ' 405' ' ' VAL . 4.7 tp -45.08 -53.78 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 53.25 109.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 9.0 tt0 -59.3 -29.06 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 73.14 110.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 350' ' ' GLN . 45.6 mm-40 -71.31 -46.2 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 72.33 110.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.978 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.7 tpt180 -65.74 -40.65 92.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.34 110.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 3.1 t -78.18 0.61 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 73.33 109.971 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 1.2 mmm180 -97.49 -28.19 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 71.54 110.28 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.861 ' OE1' HD21 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -100.8 3.82 42.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 71.01 110.288 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 402' ' ' LYS . 3.9 tt -80.63 -73.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 52.33 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -43.51 -27.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 61.21 110.256 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -46.4 85.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.33 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 358' ' ' LEU . 24.3 mm-40 -66.1 -43.35 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 62.35 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.734 HG22 ' CZ ' ' A' ' 365' ' ' ARG . 2.4 t -71.72 -20.21 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 43.24 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -25.56 55.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 70.31 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 12.6 pt20 -103.2 -23.45 13.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.15 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.734 ' CZ ' HG22 ' A' ' 362' ' ' VAL . 2.9 mtm180 -37.86 -64.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 74.42 110.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.84 -21.99 64.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 74.2 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -65.92 -37.35 85.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.12 109.289 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.681 HD13 ' HG2' ' A' ' 390' ' ' GLN . 9.4 mt -55.4 -45.54 76.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 73.03 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -41.39 77.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 75.02 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.871 ' O ' HG13 ' A' ' 374' ' ' VAL . 24.2 mtmt -66.69 -37.48 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 64.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.629 ' O ' HG22 ' A' ' 374' ' ' VAL . 63.4 mmm -63.01 -11.21 17.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 61.22 111.018 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.615 ' CG ' HD12 ' A' ' 387' ' ' LEU . 15.3 mttt -87.31 -55.48 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 73.54 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.37 -43.74 54.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 72.14 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.871 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.0 m -52.06 -33.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 64.54 109.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.792 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.9 m-30 -90.92 -27.69 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 64.4 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.45 -24.16 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.11 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -38.05 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 70.45 109.342 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.449 ' O ' ' CG ' ' A' ' 381' ' ' MET . 90.6 m -130.88 70.41 82.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 65.51 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.12 8.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 72.1 111.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.91 -4.58 29.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 74.11 110.324 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.32 -5.26 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 73.4 110.966 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.45 175.51 38.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 73.4 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.432 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 34.4 m-20 -127.15 145.6 54.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 52.53 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -25.77 11.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.412 1.743 . . . . 54.24 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.77 -12.9 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 54.32 109.271 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 95.2 p -100.31 8.9 43.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 71.44 110.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 375' ' ' TYR . 18.6 mt -113.98 -2.31 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.22 109.306 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.2 mt-10 -77.73 -47.62 2.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 75.34 110.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.04 -6.27 17.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 35.42 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.681 ' HG2' HD13 ' A' ' 368' ' ' LEU . 7.1 tt0 -99.58 -32.79 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 64.54 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 368' ' ' LEU . 42.1 mt -69.13 -64.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 73.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.84 -21.32 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 74.21 109.348 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 27.0 tt0 -75.51 -39.02 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 62.42 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.3 m -76.7 -24.42 53.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 72.2 110.372 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.512 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 4.2 mm? -87.52 -26.44 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 74.33 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 32.8 t -92.63 -18.94 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 72.43 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 397' ' ' ASN . 6.0 m120 -89.63 -53.32 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 72.21 109.254 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.672 HD13 HG23 ' A' ' 362' ' ' VAL . 30.9 mt -43.69 -28.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 63.32 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.4 OUTLIER -66.64 -51.88 51.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 62.33 110.284 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 22.5 mtt-85 -61.82 -35.5 78.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 72.31 110.269 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 1.02 ' O ' HG23 ' A' ' 405' ' ' VAL . 7.9 mt -60.64 -71.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 51.33 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -46.02 -59.46 2.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 65.13 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 402' ' ' LYS . 1.2 mm? -43.44 -52.74 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 74.21 109.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.749 ' HA ' ' HZ3' ' A' ' 407' ' ' LYS . 39.6 mm-40 -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.43 110.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 401' ' ' LEU . 9.5 t -77.6 -5.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 71.45 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -99.26 -58.03 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 63.52 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.749 ' HZ3' ' HA ' ' A' ' 404' ' ' GLU . 0.1 OUTLIER -41.65 -48.21 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.42 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.616 ' O ' HD23 ' A' ' 412' ' ' LEU . 18.9 m-85 -59.6 -60.13 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.13 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.419 ' CG ' ' CD2' ' A' ' 351' ' ' LEU . 6.3 mt-10 -54.44 -19.08 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 61.54 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.61 -21.23 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.15 109.325 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.3 m0 -75.39 -38.91 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 71.42 107.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.817 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -40.15 -40.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 70.34 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -83.5 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 65.34 109.334 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.9 mm-40 -57.02 -17.24 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 73.34 110.276 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.81 -56.02 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 71.01 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.747 ' N ' HH12 ' A' ' 344' ' ' ARG . 63.7 mt-10 -39.67 -44.91 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.11 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 m -58.35 -46.68 85.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 73.21 110.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 415' ' ' ALA . 32.5 mmm-85 -54.94 -39.77 69.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 63.53 110.279 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.687 HG23 ' NH2' ' A' ' 344' ' ' ARG . 19.5 t -69.05 -68.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.54 109.316 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 75.6 mt -40.69 -38.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 60.33 109.295 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 3.7 m -70.82 -47.95 56.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 73.13 109.989 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 419' ' ' VAL . 23.0 m120 -98.45 68.41 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 75.04 109.29 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -98.96 -178.08 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 75.44 110.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 155.42 103.72 0.22 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 74.52 111.033 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 52.51 109.292 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.017 -0.833 . . . . 74.32 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 71.52 111.015 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -140.91 176.92 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 72.54 109.575 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 48.7 mmm -122.21 177.65 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 64.43 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.466 ' OG1' ' CE1' ' A' ' 335' ' ' PHE . 16.0 p -121.45 -177.61 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 62.34 110.356 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -106.08 -11.59 16.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 74.14 110.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -179.27 115.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 72.1 109.29 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.736 ' HA ' HD11 ' A' ' 338' ' ' LEU . 17.0 m-85 -90.02 30.0 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 73.41 111.056 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 3.1 t -137.69 14.77 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 52.11 109.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -109.84 -14.88 14.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 74.33 109.594 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 335' ' ' PHE . 0.0 OUTLIER -81.63 177.3 3.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 61.43 109.34 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 339' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 338' ' ' LEU . 18.4 Cg_endo -75.03 172.11 17.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 62.43 110.984 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 418' ' ' ARG . 18.2 Cg_endo -75.02 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 73.25 110.974 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -93.86 -27.06 16.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.599 1.187 . . . . 72.42 110.286 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.99 -33.57 11.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 71.52 110.307 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 346' ' ' ARG . 54.7 tt0 -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 71.04 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.435 ' NE ' ' CG ' ' A' ' 416' ' ' GLU . 7.3 ptm180 -77.99 -6.34 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 74.55 110.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -82.99 -52.37 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 54.43 109.288 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 343' ' ' GLN . 0.9 OUTLIER -49.78 -35.97 24.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 74.14 110.298 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 411' ' ' TRP . 19.4 mt -59.88 -68.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.2 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.775 ' CG ' HD11 ' A' ' 412' ' ' LEU . 11.2 mt-30 -38.78 -36.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -69.72 -58.61 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 52.41 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -65.13 -11.21 37.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.41 110.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.914 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.8 tt -73.4 -61.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 71.22 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.96 -16.43 30.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 54.3 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.3 mt-10 -80.62 -56.44 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.32 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.695 HH21 ' HG3' ' A' ' 404' ' ' GLU . 3.5 mmt-85 -44.67 -35.17 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 74.24 110.353 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 1.8 t -77.74 -36.3 50.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 71.52 110.054 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' GLU . 31.7 mtt180 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 72.51 110.305 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.6 -39.77 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 72.3 110.309 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.5 OUTLIER -59.33 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 64.01 109.282 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 38.7 tp60 -39.35 -29.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 63.43 110.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 360' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 358' ' ' LEU . 11.1 mmmt -72.28 -53.16 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 71.24 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 358' ' ' LEU . 73.3 mm-40 -58.91 -43.16 91.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 74.11 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.831 HG23 HG12 ' A' ' 398' ' ' ILE . 2.6 t -75.3 -22.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 70.15 109.278 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -73.22 -40.58 64.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 40.31 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.501 ' O ' ' HB3' ' A' ' 367' ' ' ALA . 8.2 pt20 -87.09 -28.54 22.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 65.23 110.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.661 ' HE ' HD21 ' A' ' 395' ' ' LEU . 1.6 tmt_? -37.45 -64.69 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 74.54 110.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.79 -30.56 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.32 110.279 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -63.76 -34.3 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 53.03 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.466 HD11 ' OG1' ' A' ' 394' ' ' THR . 21.3 mt -50.57 -41.8 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 74.43 109.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -53.27 -33.8 54.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 60.11 109.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.927 ' O ' HG13 ' A' ' 374' ' ' VAL . 1.8 ptpt -70.47 -44.81 66.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 65.13 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.755 ' O ' HG22 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -48.4 -22.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.11 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.417 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 7.4 mtpt -84.68 -53.67 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.3 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -52.32 -42.19 63.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 53.23 109.274 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 370' ' ' LYS . 3.1 m -52.34 -30.85 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 72.33 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.914 ' CE2' HD11 ' A' ' 387' ' ' LEU . 18.9 m-30 -94.63 -24.35 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.43 111.017 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.74 -27.26 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 63.44 110.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -38.35 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 63.21 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.745 HG22 ' HG2' ' A' ' 380' ' ' GLN . 32.2 m -126.11 87.81 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 61.34 110.413 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 62.13 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.745 ' HG2' HG22 ' A' ' 378' ' ' THR . 4.6 pt20 -82.19 -16.71 48.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 63.43 110.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.446 ' HE3' ' HB ' ' A' ' 378' ' ' THR . 4.9 mtt -70.14 -56.08 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 75.43 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -161.87 -141.35 3.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 60.32 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.23 136.95 19.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 73.01 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.29 19.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 72.31 111.002 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -76.31 -10.61 59.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 71.14 109.278 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.4 t -101.24 7.15 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 73.14 109.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.914 HD11 ' CE2' ' A' ' 375' ' ' TYR . 11.0 mt -110.52 -2.98 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 65.23 109.36 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.573 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -75.52 -47.1 4.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 72.4 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.01 -7.48 19.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 70.45 110.99 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.57 -37.13 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 75.11 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 368' ' ' LEU . 36.0 mt -64.84 -68.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 54.33 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.46 -21.66 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 64.23 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 28.8 tt0 -74.69 -39.08 62.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 62.41 110.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.648 ' O ' HD12 ' A' ' 398' ' ' ILE . 20.2 m -69.59 -38.35 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.41 110.373 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.661 HD21 ' HE ' ' A' ' 365' ' ' ARG . 4.3 mm? -67.78 -45.14 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 72.03 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 74.9 m -69.29 -23.15 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 51.44 109.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.925 ' O ' HD12 ' A' ' 401' ' ' LEU . 98.4 m-20 -90.41 -10.67 42.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 74.35 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.831 HG12 HG23 ' A' ' 362' ' ' VAL . 12.0 mt -92.02 -29.25 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 70.24 109.293 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -85.92 -19.24 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.1 110.292 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.8 ptm180 -95.88 -13.2 24.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 64.45 110.333 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 397' ' ' ASN . 1.2 mt -90.64 -65.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 64.52 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.532 ' O ' HG12 ' A' ' 405' ' ' VAL . 6.4 ptmm? -50.78 -45.08 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 64.45 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -47.66 -38.97 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.44 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.695 ' HG3' HH21 ' A' ' 354' ' ' ARG . 53.0 mm-40 -76.18 -27.16 56.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 75.52 110.261 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.6 HG22 HD23 ' A' ' 351' ' ' LEU . 0.4 OUTLIER -78.42 -4.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 74.14 109.264 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.27 -58.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 70.42 110.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 5.0 ptpt -40.86 -44.35 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 62.44 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.591 ' O ' HD23 ' A' ' 412' ' ' LEU . 10.6 m-85 -61.67 -59.92 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 75.21 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.914 ' CG ' HD11 ' A' ' 351' ' ' LEU . 20.2 mt-10 -52.99 -20.02 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 70.14 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.4 -22.61 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.44 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -72.37 -39.9 67.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 70.23 108.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.775 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.1 mm? -39.6 -44.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 72.41 109.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.54 -41.33 27.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 74.32 109.309 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -61.87 -15.52 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 71.34 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.78 -65.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 72.31 109.319 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 419' ' ' VAL . 50.4 mt-10 -39.76 -41.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.4 110.348 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 13.4 t -42.05 -49.65 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 70.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' ARG . . . . . 0.433 ' O ' ' ND2' ' A' ' 422' ' ' ASN . 92.7 mtt180 -55.67 -40.24 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 73.03 110.313 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 416' ' ' GLU . 70.0 t -64.86 -53.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 73.04 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 46.8 mt -53.11 -37.77 62.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 74.53 109.28 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.6 t -62.06 -50.44 71.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 74.33 110.006 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 418' ' ' ARG . 6.1 p30 -129.52 108.44 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 64.41 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.01 16.1 22.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.23 110.323 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 87.05 -53.55 4.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.118 . . . . 71.4 110.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 71.15 109.299 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 73.42 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.76 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 74.41 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.18 -177.39 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.35 109.618 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 18.7 mtp -127.52 158.11 38.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 53.41 110.977 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 2.7 p -117.24 -175.26 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 73.52 110.457 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.538 ' O ' ' CE2' ' A' ' 335' ' ' PHE . 9.9 pt-20 -115.95 -37.33 3.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.22 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 334' ' ' ASP . . . . . 0.597 ' O ' ' CD1' ' A' ' 335' ' ' PHE . 21.5 m-20 -102.56 -31.68 10.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 70.3 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 334' ' ' ASP . 1.1 p90 37.8 30.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 74.42 110.989 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 336' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 334' ' ' ASP . 0.7 OUTLIER -75.36 -2.8 30.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 71.23 109.984 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -102.52 -31.24 10.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 72.02 109.618 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.467 ' HG ' ' CA ' ' A' ' 335' ' ' PHE . 9.8 mt -40.52 155.08 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 75.12 109.284 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.45 14.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 72.11 111.006 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.448 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.4 Cg_endo -75.01 0.34 9.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 70.01 111.021 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.71 -39.65 10.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 75.42 110.298 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -93.51 -32.95 13.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 64.24 110.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -49.97 -60.52 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 72.41 110.346 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.803 ' NH2' HG21 ' A' ' 419' ' ' VAL . 7.6 ptp180 -48.92 -39.1 24.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.42 110.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 17.3 ttmt -62.38 -47.68 83.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 73.02 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 347' ' ' LEU . 17.6 mmm180 -53.96 -53.7 49.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 75.11 110.232 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.553 HD13 ' CB ' ' A' ' 411' ' ' TRP . 5.0 mt -40.05 -65.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 74.25 109.353 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.551 ' CG ' HD11 ' A' ' 412' ' ' LEU . 26.3 mt-30 -39.51 -53.09 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 72.12 110.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -49.51 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 72.5 110.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -66.23 -9.72 34.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 70.54 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.778 HD21 ' CG ' ' A' ' 409' ' ' GLU . 1.9 tt -69.97 -46.91 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 43.14 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.59 -26.67 55.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 64.31 110.277 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.33 -48.29 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 75.44 110.278 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.879 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.7 tpt180 -64.33 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 72.01 110.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.46 ' HB2' HG11 ' A' ' 405' ' ' VAL . 4.6 t -72.35 -24.12 61.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 72.45 109.932 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -69.47 -65.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.4 110.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.857 ' OE1' HD21 ' A' ' 401' ' ' LEU . 3.1 pt-20 -55.62 -19.72 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 54.33 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.772 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -65.09 -73.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 74.53 109.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.9 tp60 -45.75 -25.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 60.13 110.322 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -65.86 -54.91 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 74.54 109.352 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.64 -34.11 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 73.23 110.25 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.786 HG23 HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.71 -21.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 65.54 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 1.1 t70 -74.97 -25.31 58.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.42 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.57 ' HG3' HD21 ' A' ' 368' ' ' LEU . 8.3 pt20 -104.92 -27.62 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.52 110.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.788 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -43.5 -37.03 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 75.31 110.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 366' ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.6 pt-20 -80.35 -31.89 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 71.12 110.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -66.14 -37.44 85.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 63.03 109.329 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.918 HD22 ' NE2' ' A' ' 390' ' ' GLN . 6.1 mt -44.54 -47.82 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 63.02 109.307 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -34.45 78.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.44 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 367' ' ' ALA . 25.6 mtmm -72.88 -21.54 60.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 73.02 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.448 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 67.0 mmm -79.29 -6.44 56.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.25 111.001 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 376' ' ' GLU . 0.1 OUTLIER -91.05 -56.35 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.43 109.277 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -52.2 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 75.42 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 375' ' ' TYR . 22.2 m -56.49 -38.82 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.11 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.596 ' CD1' HG23 ' A' ' 374' ' ' VAL . 14.1 m-30 -84.92 -16.36 41.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.41 110.995 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 376' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 372' ' ' LYS . 4.9 mt-10 -75.29 -34.49 61.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 71.11 110.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 -38.18 5.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.2 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.2 m -119.46 82.27 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.31 110.385 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 64.42 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.64 ' HG2' HG22 ' A' ' 378' ' ' THR . 3.9 pt20 -78.83 2.01 21.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 75.31 110.254 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.508 ' HE3' ' HB ' ' A' ' 374' ' ' VAL . 4.7 mtm -100.42 -48.77 4.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 70.05 110.99 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . -171.05 -165.45 28.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 61.51 110.959 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.85 143.18 36.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 62.44 109.284 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 384' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 387' ' ' LEU . 18.4 Cg_endo -74.93 -24.35 13.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 62.34 111.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.91 -11.79 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.41 109.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 7.21 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.31 110.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.535 HD11 ' CD2' ' A' ' 375' ' ' TYR . 7.1 mt -112.3 -1.9 14.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 73.23 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.548 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -78.17 -48.3 2.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.42 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.65 21.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 70.11 110.998 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.918 ' NE2' HD22 ' A' ' 368' ' ' LEU . 0.4 OUTLIER -95.46 -40.05 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 75.41 110.262 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 30.2 mt -61.54 -67.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 63.24 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.84 -21.34 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 55.32 109.252 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.06 -37.75 53.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 52.51 110.281 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.597 HG22 HD11 ' A' ' 398' ' ' ILE . 11.7 m -71.19 -46.61 60.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 65.42 110.417 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.15 -54.4 45.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 71.2 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 2.0 t -63.68 -19.69 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.15 109.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.755 ' O ' HD12 ' A' ' 401' ' ' LEU . 74.8 m-20 -91.94 -16.36 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 63.25 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.788 HD11 ' HB3' ' A' ' 365' ' ' ARG . 28.7 mt -88.64 -43.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 73.33 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.782 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -70.79 -23.09 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 54.33 110.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.7 ptm180 -86.11 -29.07 23.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 65.33 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.857 HD21 ' OE1' ' A' ' 357' ' ' GLU . 13.2 mt -73.86 -73.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 72.55 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.468 ' HB3' HD11 ' A' ' 358' ' ' LEU . 9.0 ptmt -40.52 -40.96 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 72.13 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.2 mm? -56.93 -51.67 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 30.43 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.672 ' HG3' HH21 ' A' ' 354' ' ' ARG . 57.3 mm-40 -60.9 -26.83 67.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 62.13 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.879 HG22 ' HB3' ' A' ' 354' ' ' ARG . 2.2 t -91.44 -4.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 75.03 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 406' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 402' ' ' LYS . 47.0 mt-30 -98.7 -12.17 21.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 70.15 110.303 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.7 OUTLIER -93.65 -41.2 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.14 109.279 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.3 m-85 -61.69 -60.03 4.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 72.31 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.778 ' CG ' HD21 ' A' ' 351' ' ' LEU . 7.1 mm-40 -54.37 -19.15 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.43 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.56 -21.37 16.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 61.32 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.46 -43.45 60.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 74.13 108.006 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.551 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.3 mm? -39.08 -41.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 52.2 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.3 -41.85 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 63.31 109.281 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -62.59 -14.67 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 74.21 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.79 -67.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.44 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -42.74 -34.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 75.24 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 36.0 t -61.23 -63.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.52 110.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.29 -26.67 52.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 71.22 110.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.803 HG21 ' NH2' ' A' ' 344' ' ' ARG . 38.3 t -67.57 -75.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 72.11 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 33.6 mt -44.74 -29.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 74.44 109.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 3.1 t -52.51 -47.56 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 70.41 110.021 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -123.23 120.78 34.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 62.35 109.299 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -134.24 -176.53 4.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 65.3 110.344 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 168.6 106.68 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.143 . . . . 72.11 110.97 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 60.33 109.298 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.002 -0.839 . . . . 62.41 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.84 15.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 74.41 111.028 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -129.38 175.19 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 65.51 109.572 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.36 152.81 41.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 75.55 111.025 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 333' ' ' GLU . 9.7 t -98.53 -173.76 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 72.24 110.41 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 333' ' ' GLU . 10.6 mp0 -109.33 -74.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 75.04 110.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.92 142.76 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 71.01 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.639 ' CE1' ' NH2' ' A' ' 346' ' ' ARG . 4.2 m-30 -99.5 -10.87 21.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.21 111.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 5.0 m -71.18 -11.87 61.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 41.51 109.988 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -79.95 -15.7 56.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 65.04 109.582 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.69 HD13 ' HD3' ' A' ' 346' ' ' ARG . 0.7 OUTLIER -95.52 162.3 24.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 65.01 109.3 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 72.25 111.021 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.471 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.4 Cg_endo -74.97 -10.96 21.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 72.24 110.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -77.19 -45.94 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 70.15 110.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 345' ' ' LYS . 2.1 mt-30 -89.59 -34.86 16.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 63.23 110.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -42.59 -40.05 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 71.54 110.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.5 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.2 ptm180 -65.91 -42.49 90.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 55.31 110.306 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 8.7 ttmt -64.69 -30.21 71.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.31 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.69 ' HD3' HD13 ' A' ' 338' ' ' LEU . 20.0 mmm180 -62.01 -32.09 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.01 110.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.56 HD22 ' HE3' ' A' ' 411' ' ' TRP . 10.5 mt -77.65 -49.03 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 75.15 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.665 ' HG2' HD11 ' A' ' 412' ' ' LEU . 57.2 mt-30 -37.17 -38.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 72.25 110.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 345' ' ' LYS . 1.8 mp0 -70.04 -66.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 73.21 110.282 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 350' ' ' GLN . . . . . 0.561 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 1.2 mp0 -42.81 -52.66 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.04 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.96 HD23 HG22 ' A' ' 405' ' ' VAL . 0.4 OUTLIER -37.66 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.33 109.261 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -50.26 -47.22 55.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.21 110.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.42 ' OE1' ' NE2' ' A' ' 350' ' ' GLN . 76.2 mt-10 -51.96 -30.14 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.32 110.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.699 HH21 ' HG3' ' A' ' 404' ' ' GLU . 0.1 OUTLIER -79.83 -39.27 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 64.4 110.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 38.1 t -77.24 0.61 21.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 71.23 110.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -97.96 -26.17 14.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.31 110.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.524 ' HG3' HD22 ' A' ' 401' ' ' LEU . 9.4 pt-20 -104.96 -32.1 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 72.55 110.323 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.786 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -52.02 -54.49 29.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.42 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.84 -14.8 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.32 110.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' LYS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 357' ' ' GLU . 24.4 mmmt -84.19 -54.63 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 74.04 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.843 ' OE2' HG23 ' A' ' 394' ' ' THR . 9.2 mm-40 -62.91 -35.77 81.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.2 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.601 HG23 HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.58 -22.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.02 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -24.6 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 74.31 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 367' ' ' ALA . 7.8 pt20 -105.14 -27.45 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.33 110.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.853 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.18 -36.83 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 63.14 110.295 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 366' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 0.9 OUTLIER -85.51 -25.42 26.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 74.22 110.302 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -74.34 -27.54 60.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 64.14 109.256 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 16.0 mt -50.21 -49.85 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 71.3 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 71.33 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 374' ' ' VAL . 13.8 mtpp -71.06 -20.87 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 73.22 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.492 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 69.1 mmm -83.76 -6.45 59.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.54 111.029 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 376' ' ' GLU . 9.8 mtpt -89.38 -58.9 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.41 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.68 -46.36 58.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 51.52 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.586 HG23 ' CD1' ' A' ' 375' ' ' TYR . 21.0 m -54.72 -39.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 65.44 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 387' ' ' LEU . 13.8 m-30 -85.09 -15.86 42.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 71.3 111.01 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 376' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.4 mm-40 -76.29 -34.8 59.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 73.32 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 -37.9 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 64.34 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.742 HG22 ' HG3' ' A' ' 381' ' ' MET . 19.1 m -118.8 82.43 20.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 74.45 110.44 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 54.4 111.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.681 ' HG2' HG23 ' A' ' 378' ' ' THR . 3.6 pt20 -79.34 1.87 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.55 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.742 ' HG3' HG22 ' A' ' 378' ' ' THR . 4.0 mtt -99.42 -48.62 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 62.33 111.009 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.71 -163.55 25.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 34.44 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -117.41 135.51 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 73.33 109.305 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 384' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 387' ' ' LEU . 18.3 Cg_endo -75.01 -24.3 12.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 75.3 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.09 -10.1 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 62.55 109.337 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 38.9 t -100.58 6.56 44.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 65.34 109.972 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 375' ' ' TYR . 8.7 mt -109.91 -2.45 17.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 74.52 109.354 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.9 mt-10 -78.49 -47.68 1.91 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 73.33 110.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.0 -13.24 21.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 60.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.33 -32.32 13.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 63.5 110.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.544 HG23 HD23 ' A' ' 395' ' ' LEU . 20.7 mt -67.88 -63.3 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 74.23 109.312 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.32 -21.67 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 51.44 109.324 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.38 -38.83 55.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 75.44 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.843 HG23 ' OE2' ' A' ' 361' ' ' GLU . 2.9 m -80.05 -29.31 39.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 60.33 110.431 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.544 HD23 HG23 ' A' ' 391' ' ' ILE . 2.8 mm? -78.89 -29.57 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 65.24 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 37.4 m -90.1 -23.01 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 70.21 109.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -83.99 -52.35 6.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.01 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.853 HD11 ' HB3' ' A' ' 365' ' ' ARG . 33.2 mt -43.27 -29.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 42.13 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.6 OUTLIER -69.19 -54.92 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.21 110.316 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 2.4 mtm105 -59.42 -35.85 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.53 110.262 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.786 HD13 ' HA ' ' A' ' 358' ' ' LEU . 32.8 mt -58.13 -73.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 71.15 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 405' ' ' VAL . 7.7 ptmt -47.62 -60.14 2.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 72.44 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.439 HD23 ' HG3' ' A' ' 402' ' ' LYS . 0.7 OUTLIER -40.7 -50.84 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 70.44 109.341 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.699 ' HG3' HH21 ' A' ' 354' ' ' ARG . 23.3 mm-40 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 62.21 110.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.96 HG22 HD23 ' A' ' 351' ' ' LEU . 0.4 OUTLIER -73.56 -4.45 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.21 109.316 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.03 -57.53 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 72.14 110.292 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -48.03 -42.58 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.01 109.322 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 10.3 m-85 -61.8 -54.09 47.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 73.34 110.983 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.774 ' HG2' HD11 ' A' ' 351' ' ' LEU . 30.8 mm-40 -54.96 -22.41 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.14 110.33 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.37 -20.15 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 72.33 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.0 m0 -75.2 -40.35 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 71.15 108.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.665 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.6 mm? -39.81 -40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 54.31 109.281 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.53 -39.89 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 61.11 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.9 mm-40 -64.24 -14.26 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.15 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.73 -56.63 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.21 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.5 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 0.7 OUTLIER -47.53 -51.98 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 64.32 110.265 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 20.7 t -47.99 -52.82 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 73.24 110.007 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -53.34 -32.7 50.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.32 110.255 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 55.6 t -75.25 -76.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.15 109.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.0 mt -40.8 -29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.21 109.269 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 423' ' ' ARG . 7.3 t -67.45 -59.12 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 51.15 110.003 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -62.31 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 74.1 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 421' ' ' SER . 63.9 mtp180 -78.67 82.04 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 70.51 110.257 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -49.09 -22.37 3.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.519 1.137 . . . . 72.32 110.995 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 60.11 109.304 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.978 -0.849 . . . . 43.23 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 62.41 110.986 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -56.83 147.86 22.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 71.41 109.552 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -148.27 155.33 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 74.42 110.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 6.0 t -69.42 -176.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 70.34 110.409 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.34 -148.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 73.14 110.293 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.95 138.27 58.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 64.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.618 ' CD2' ' CD1' ' A' ' 338' ' ' LEU . 7.5 m-85 -88.94 14.63 10.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 75.51 111.031 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 5.8 t -82.15 -43.06 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 75.0 110.044 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -59.5 -16.2 22.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 73.33 109.6 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.618 ' CD1' ' CD2' ' A' ' 335' ' ' PHE . 63.4 mt -61.84 159.49 35.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 64.15 109.275 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 63.52 111.024 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.673 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.4 Cg_endo -74.96 0.28 9.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 62.32 111.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 341' ' ' GLU . . . . . 0.409 ' HA ' HH21 ' A' ' 344' ' ' ARG . 31.0 tt0 -96.7 -39.77 9.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 71.12 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -90.1 -21.18 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.35 110.245 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.37 -33.28 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.32 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.956 ' HA ' HD12 ' A' ' 347' ' ' LEU . 6.8 ptp180 -90.85 -6.33 54.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 72.11 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -78.87 -27.98 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 61.55 109.29 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 347' ' ' LEU . 5.3 ptm180 -88.04 -40.74 13.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 63.22 110.313 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 344' ' ' ARG . 17.2 mt -44.44 -59.35 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 63.4 109.321 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.402 ' HG3' HD11 ' A' ' 412' ' ' LEU . 65.1 mt-30 -59.65 -46.22 89.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 54.44 110.335 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -56.67 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 42.13 110.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -44.31 -45.97 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 64.34 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 347' ' ' LEU . 26.0 tp -42.71 -53.85 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 75.34 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 356' ' ' ARG . 4.9 tt0 -55.76 -49.11 74.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.14 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.02 -16.38 12.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 71.11 110.326 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.87 ' HB3' HG22 ' A' ' 405' ' ' VAL . 4.3 tpt180 -95.75 -40.59 9.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.34 110.269 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.39 0.48 53.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.52 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 352' ' ' GLU . 54.6 mtt180 -99.42 -45.3 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 71.14 110.301 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 401' ' ' LEU . 11.6 pt-20 -80.17 3.04 21.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.43 110.255 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.85 ' HA ' HD13 ' A' ' 401' ' ' LEU . 5.2 tt -77.92 -55.39 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 72.1 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -56.27 -16.87 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 64.33 110.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -76.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 62.44 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.641 ' HB2' HG23 ' A' ' 394' ' ' THR . 13.1 pt-20 -57.06 -22.77 41.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 74.11 110.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.592 HG22 HD13 ' A' ' 398' ' ' ILE . 1.7 t -77.11 -37.48 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.32 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.87 -30.26 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 71.42 109.317 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 367' ' ' ALA . 6.9 pt20 -103.77 -24.95 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 51.42 110.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.884 ' NH1' HD11 ' A' ' 395' ' ' LEU . 0.0 OUTLIER -37.73 -40.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 71.31 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 366' ' ' GLU . . . . . 0.411 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.5 pt-20 -90.98 -31.92 16.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 65.33 110.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -54.8 -38.12 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 55.14 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 391' ' ' ILE . 14.5 mt -43.82 -45.26 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.11 109.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -41.38 66.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.21 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.62 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -61.19 -28.09 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.22 109.269 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.61 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 49.2 mmm -80.65 -6.07 57.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 75.21 110.987 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.5 mtpt -90.94 -59.8 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 73.12 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.08 -47.76 61.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.15 109.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 370' ' ' LYS . 28.5 m -49.02 -37.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 65.21 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.803 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.2 m-30 -86.63 -26.28 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.34 110.999 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.05 -26.16 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.11 110.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -37.41 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 62.24 109.279 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 381' ' ' MET . 27.4 m -128.49 71.38 80.34 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 73.52 110.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 379' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 382' ' ' GLY . 18.3 Cg_endo -74.99 1.7 7.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 74.52 111.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -72.56 -13.87 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 74.41 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.1 OUTLIER -104.41 -4.84 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.45 111.005 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.57 -177.73 41.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 70.43 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.39 147.11 60.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 74.34 109.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.51 1.794 . . . . 64.12 111.045 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.17 -14.47 60.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 75.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 97.6 p -101.1 4.76 42.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 73.43 109.999 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.803 HD11 ' CE2' ' A' ' 375' ' ' TYR . 41.5 mt -110.43 -3.89 15.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 54.32 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.5 mt-10 -72.73 -46.96 9.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 71.34 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.98 -9.13 20.67 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 74.01 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.77 -31.31 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 64.52 110.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.683 HD12 ' O ' ' A' ' 387' ' ' LEU . 23.5 mt -77.44 -54.54 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 70.22 109.26 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.95 56.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 62.34 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.06 -34.99 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.12 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.641 HG23 ' HB2' ' A' ' 361' ' ' GLU . 4.9 m -84.98 -11.7 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 64.42 110.412 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.884 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.0 mm? -96.99 -28.06 14.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.51 109.234 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 7.2 t -90.59 -5.89 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 75.32 109.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -97.0 -52.59 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.42 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.592 HD13 HG22 ' A' ' 362' ' ' VAL . 96.3 mt -46.83 -42.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.32 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.581 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -54.48 -39.51 67.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 71.33 110.325 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 39.5 mtt180 -74.28 -38.77 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 73.51 110.298 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.94 ' O ' HG23 ' A' ' 405' ' ' VAL . 1.5 mt -59.21 -55.79 30.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.42 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 405' ' ' VAL . 6.1 ptmm? -59.2 -58.05 10.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 62.24 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -42.99 -53.31 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 71.1 109.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.71 ' HG3' HH21 ' A' ' 354' ' ' ARG . 20.7 mm-40 -60.57 -33.25 72.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.11 110.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 401' ' ' LEU . 98.9 t -76.15 -6.8 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 75.5 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.84 -57.53 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 73.33 110.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -44.72 -42.0 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 71.32 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 6.3 m-85 -62.26 -57.38 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 61.14 111.001 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.42 -21.09 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 62.2 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.49 -21.29 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 71.23 109.298 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.0 -38.38 64.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.974 -1.121 . . . . 75.34 107.974 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 347' ' ' LEU . 4.1 mm? -39.81 -44.81 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 73.33 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.63 -38.88 38.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.43 109.299 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.54 -15.26 60.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 72.11 110.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.66 -63.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.22 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 419' ' ' VAL . 9.2 mt-10 -46.46 -34.41 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.14 110.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 t -47.27 -42.24 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.4 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -60.83 -32.96 72.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.04 110.28 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.851 HG21 ' NH2' ' A' ' 344' ' ' ARG . 36.8 t -70.37 -72.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 74.42 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.1 mt -47.53 -33.37 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 60.31 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 2.0 t -54.28 -68.91 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 72.04 110.003 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -74.08 154.04 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 75.33 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -108.55 169.9 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 70.12 110.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -131.01 24.77 4.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 71.32 111.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 15.8 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 73.41 109.291 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.979 -0.848 . . . . 61.44 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 329' ' ' PRO . . . . . 0.496 ' HG2' ' CE1' ' A' ' 330' ' ' HIS . 18.3 Cg_endo -75.02 -19.88 17.37 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 52.23 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 330' ' ' HIS . . . . . 0.496 ' CE1' ' HG2' ' A' ' 329' ' ' PRO . 0.2 OUTLIER -92.67 -175.42 3.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 71.11 109.556 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.53 161.03 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 70.34 111.015 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 333' ' ' GLU . 11.3 t -85.6 -165.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 61.53 110.413 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 333' ' ' GLU . . . . . 0.416 ' N ' ' OG1' ' A' ' 332' ' ' THR . 82.0 mt-10 -107.57 -65.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 74.22 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 334' ' ' ASP . . . . . 0.402 ' N ' ' OD2' ' A' ' 334' ' ' ASP . 0.5 OUTLIER -106.84 137.47 44.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 74.31 109.367 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' A' ' 338' ' ' LEU . 0.2 OUTLIER -131.2 16.74 5.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 72.43 111.04 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.29 11.13 37.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.15 109.989 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -130.72 22.7 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 75.4 109.613 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 335' ' ' PHE . 0.3 OUTLIER -102.32 165.87 13.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 75.42 109.308 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 339' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 343' ' ' GLN . 18.2 Cg_endo -75.05 168.94 23.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 71.25 110.953 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.451 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.01 1.12 8.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.798 . . . . 72.14 111.015 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -81.09 -52.31 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 74.15 110.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 343' ' ' GLN . 2.8 pt20 -96.1 -24.56 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 74.33 110.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 339' ' ' PRO . 39.3 tt0 -56.65 -31.55 64.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.44 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.485 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.9 ptm180 -74.29 -26.21 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 75.24 110.286 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -30.0 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 63.1 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -38.06 81.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.34 110.258 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 411' ' ' TRP . 4.2 mt -59.41 -61.64 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.21 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.484 ' CG ' HD11 ' A' ' 412' ' ' LEU . 41.6 mt-30 -39.47 -29.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 72.43 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 347' ' ' LEU . 38.1 mt-30 -85.19 -47.87 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 61.25 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 350' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 347' ' ' LEU . 13.6 mm100 -71.71 -6.14 39.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 74.33 110.303 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.953 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -84.53 -50.72 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.31 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 21.1 tt0 -63.18 -23.89 67.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 72.53 110.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -76.03 -51.3 12.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.3 110.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.825 HH21 ' CD ' ' A' ' 404' ' ' GLU . 9.0 mmt180 -58.83 -33.39 70.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.11 110.276 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 7.0 t -86.37 -1.96 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.4 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.1 mmm-85 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.13 110.296 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.845 ' OE1' HD21 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -99.47 1.44 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 71.22 110.272 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.978 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.4 tt -89.39 -49.69 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.35 109.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 50.0 tp60 -59.25 -27.38 65.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 74.42 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 360' ' ' LYS . . . . . 0.473 ' CE ' ' HA ' ' A' ' 357' ' ' GLU . 2.1 ptpt -78.69 -38.78 38.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 73.53 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.564 ' HG3' HD11 ' A' ' 401' ' ' LEU . 5.6 mm-40 -69.36 -36.76 77.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 71.45 110.261 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.68 -39.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 72.31 109.256 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 7.9 t70 -56.63 -29.7 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 71.53 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.547 ' HG3' HD21 ' A' ' 368' ' ' LEU . 6.1 pt20 -104.65 -27.68 11.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.2 110.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.755 ' HE ' HD11 ' A' ' 395' ' ' LEU . 0.9 OUTLIER -35.68 -44.39 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 63.25 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -85.44 -36.47 20.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 71.24 110.333 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -51.75 -35.67 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 73.12 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.946 HD13 ' HG2' ' A' ' 390' ' ' GLN . 10.3 mt -45.66 -45.31 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 73.15 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -37.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 65.5 109.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.956 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -65.44 -30.0 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 64.42 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 39.6 mmm -73.66 -7.42 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 71.32 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.0 mtpt -92.12 -56.57 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 73.13 109.308 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.73 -42.57 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 73.42 109.282 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.956 HG13 ' O ' ' A' ' 370' ' ' LYS . 17.3 m -53.55 -33.78 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 71.21 109.278 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.782 ' CE2' HD11 ' A' ' 387' ' ' LEU . 22.4 m-30 -90.15 -26.74 20.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 71.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -63.72 -26.76 68.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 61.02 110.294 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -35.57 4.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 62.31 109.284 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 381' ' ' MET . 33.3 m -130.07 67.88 80.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 63.55 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 379' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.03 1.88 7.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 71.41 110.987 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.86 -1.61 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.4 110.277 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -118.93 -4.81 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 75.2 111.005 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 173.19 -164.26 36.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 35.52 111.02 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.416 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 2.0 m-20 -154.28 146.39 17.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 70.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 384' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.5 Cg_endo -75.04 -24.54 12.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 52.4 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.16 -17.38 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 64.11 109.334 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 34.3 m -100.63 7.12 44.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 75.53 109.977 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.782 HD11 ' CE2' ' A' ' 375' ' ' TYR . 71.4 mt -108.65 -12.26 14.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 44.2 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.594 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -58.45 -45.41 99.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 75.45 110.245 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.03 -6.89 18.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 71.31 110.988 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.946 ' HG2' HD13 ' A' ' 368' ' ' LEU . 5.6 tt0 -99.65 -21.21 15.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 55.13 110.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 372' ' ' LYS . 18.6 mt -89.99 -54.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 72.44 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.76 -23.92 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.31 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 389' ' ' PRO . 15.3 tt0 -78.37 -40.05 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 52.22 110.334 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 398' ' ' ILE . 31.2 m -76.52 -26.55 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 65.13 110.421 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.755 HD11 ' HE ' ' A' ' 365' ' ' ARG . 2.3 mm? -84.36 -28.02 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 65.14 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 42.1 t -88.25 -20.84 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 54.42 110.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 400' ' ' ARG . 92.8 m-20 -86.48 -47.72 9.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 53.44 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 365' ' ' ARG . 46.1 mt -48.08 -28.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 73.05 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.797 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -72.57 -36.74 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 75.13 110.308 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 16.4 mtp85 -76.03 -39.88 54.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 75.14 110.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.978 HD13 ' HA ' ' A' ' 358' ' ' LEU . 13.8 mt -53.08 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 64.12 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.35 -56.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.1 109.35 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 399' ' ' GLU . 3.6 mm? -42.67 -50.93 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 61.24 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.825 ' CD ' HH21 ' A' ' 354' ' ' ARG . 2.5 mm-40 -60.33 -36.69 78.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.44 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' ' 354' ' ' ARG . 24.6 t -73.21 -5.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 70.12 109.277 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -99.54 -57.8 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 71.33 110.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.602 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.9 ptpp? -46.94 -43.39 19.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.43 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.499 ' O ' HD23 ' A' ' 412' ' ' LEU . 5.1 m-85 -62.47 -59.92 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.14 110.97 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.953 ' CG ' HD11 ' A' ' 351' ' ' LEU . 8.2 mt-10 -53.09 -19.93 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 73.21 110.29 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.414 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -22.5 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 65.14 109.271 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -71.99 -40.84 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 75.53 107.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 408' ' ' TYR . 4.5 mm? -39.79 -43.76 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 62.43 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.84 32.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.01 109.351 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.3 mm-40 -63.49 -16.06 59.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 65.3 110.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 75.43 109.308 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.485 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 31.0 mt-10 -38.47 -50.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 75.51 110.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 23.0 t -51.93 -48.58 64.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 73.51 110.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 415' ' ' ALA . 36.9 mtp85 -57.55 -32.29 66.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.21 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 39.4 t -73.15 -70.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 71.13 109.327 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.8 mt -41.63 -31.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.03 109.33 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 73.6 m -69.88 -51.56 32.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 43.42 110.016 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 419' ' ' VAL . 7.3 p30 -135.84 118.14 15.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 62.35 109.296 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -96.72 29.69 2.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 74.23 110.319 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.04 14.19 65.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 43.23 111.001 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 65.24 109.268 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.996 -0.842 . . . . 44.5 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -171.72 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 64.12 111.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -153.42 166.2 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.34 109.612 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 2.0 ttt -151.06 155.74 39.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.52 111.037 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 335' ' ' PHE . 13.0 t -124.44 -170.24 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 73.52 110.382 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -91.14 -73.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.24 110.258 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -102.03 121.23 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 63.22 109.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.886 ' CE1' HG22 ' A' ' 332' ' ' THR . 4.2 m-85 -93.14 49.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 73.42 111.016 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 16.6 m -92.87 -55.98 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 53.21 110.011 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -51.77 -28.54 15.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 74.14 109.65 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.458 ' CD1' ' CD2' ' A' ' 335' ' ' PHE . 49.8 mt -55.82 159.84 4.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 75.44 109.245 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.21 23.11 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.503 1.791 . . . . 70.35 111.002 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.468 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.2 Cg_endo -74.98 -20.55 16.8 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 73.42 110.988 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -78.63 -31.6 47.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.11 110.341 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -97.85 -23.54 15.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.45 110.303 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.72 -30.74 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 72.02 110.296 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.44 -6.3 54.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 70.22 110.309 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -84.93 -45.97 11.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 64.31 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.434 ' HD2' ' CB ' ' A' ' 335' ' ' PHE . 3.4 ptt85 -57.14 -31.87 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.54 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.61 HD13 ' CB ' ' A' ' 411' ' ' TRP . 24.8 mt -63.65 -59.56 4.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.44 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.648 ' CG ' HD11 ' A' ' 412' ' ' LEU . 17.9 mt-30 -42.67 -44.16 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 75.01 110.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 351' ' ' LEU . 39.0 mm-40 -65.57 -70.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 70.23 110.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -43.04 -27.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.23 110.347 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 1.055 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.3 tt -61.9 -73.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.299 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 44.1 tt0 -53.04 -20.14 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.41 110.301 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.61 -42.64 61.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 71.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.609 ' HB2' HG22 ' A' ' 405' ' ' VAL . 12.7 mmt180 -68.3 -57.6 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.43 110.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 358' ' ' LEU . 1.6 t -53.86 -33.56 56.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 74.34 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.8 mmm-85 -54.09 -29.94 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 71.22 110.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LYS . 2.9 mm-40 -105.51 -24.57 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 72.4 110.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.735 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.3 tt -50.43 -46.03 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 53.33 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 54.6 tp60 -72.36 -26.67 61.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 75.25 110.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 360' ' ' LYS . . . . . 0.424 ' HA ' ' CE ' ' A' ' 360' ' ' LYS . 0.0 OUTLIER -64.92 -45.15 87.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.42 109.274 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.586 ' OE2' HD11 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -76.59 -37.78 55.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 72.45 110.288 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.814 HG23 HG12 ' A' ' 398' ' ' ILE . 1.5 t -74.96 -19.97 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.12 109.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.8 OUTLIER -76.48 -26.55 55.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 54.05 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 11.1 pt20 -104.97 -22.53 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 74.32 110.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.738 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -48.36 -36.01 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.42 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 366' ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 6.1 pt-20 -92.38 -20.11 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 45.41 110.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -80.89 -20.4 42.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.32 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.652 HD11 ' OG1' ' A' ' 394' ' ' THR . 5.0 mt -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 65.12 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -50.04 -23.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 63.12 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.994 ' O ' HG13 ' A' ' 374' ' ' VAL . 23.2 mtpt -87.5 -33.65 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.03 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.646 ' C ' HG22 ' A' ' 374' ' ' VAL . 52.5 mmm -66.41 -10.53 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 72.35 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.557 ' HD2' HD11 ' A' ' 391' ' ' ILE . 0.0 OUTLIER -94.42 -61.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 71.33 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 373' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 12.1 t0 -45.26 -35.23 3.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 44.45 109.275 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.994 HG13 ' O ' ' A' ' 370' ' ' LYS . 35.5 m -52.87 -44.51 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 74.15 109.252 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.614 ' HE2' HD21 ' A' ' 387' ' ' LEU . 18.5 m-85 -80.63 -31.89 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 71.43 110.97 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -54.12 -30.97 50.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.45 110.306 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 377' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.6 OUTLIER -111.93 -32.43 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 73.15 109.336 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.6 m -133.72 69.83 75.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 72.12 110.41 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.5 Cg_endo -74.97 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 64.43 111.023 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.603 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.5 pt20 -70.71 -5.71 31.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 72.1 110.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -114.94 -7.54 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 70.31 111.032 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 164.99 -171.81 40.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 75.44 111.027 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.558 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 48.3 m-20 -132.6 146.96 63.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 74.11 109.284 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.78 19.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 62.21 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 0.417 ' HA ' ' CG ' ' A' ' 388' ' ' GLU . . . -79.14 -2.7 42.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 71.45 109.262 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 14.5 m -101.65 7.06 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 71.41 109.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.614 HD21 ' HE2' ' A' ' 375' ' ' TYR . 0.4 OUTLIER -119.15 -0.62 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 75.32 109.338 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.0 OUTLIER -68.68 -46.23 34.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 63.25 110.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.02 -10.74 21.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 62.24 111.014 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -99.46 -31.28 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.24 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.557 HD11 ' HD2' ' A' ' 372' ' ' LYS . 11.5 mt -60.76 -60.5 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 71.51 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.77 -15.18 39.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 52.03 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 15.7 tt0 -83.79 -34.03 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 44.11 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.652 ' OG1' HD11 ' A' ' 368' ' ' LEU . 9.6 m -72.39 -50.57 25.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 63.33 110.372 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.467 ' HA ' HD13 ' A' ' 395' ' ' LEU . 2.8 mm? -58.42 -49.05 78.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 65.34 109.246 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 396' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 5.5 t -68.99 -14.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 73.21 109.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.467 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 20.2 m-20 -91.11 -22.87 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 44.11 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.814 HG12 HG23 ' A' ' 362' ' ' VAL . 18.7 mt -83.13 -43.41 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 72.12 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.768 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.0 OUTLIER -69.22 -20.73 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 75.43 110.355 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 6.7 ptm180 -98.63 -8.5 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 70.04 110.271 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 358' ' ' LEU . 10.8 mt -95.61 -39.97 9.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.5 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.428 ' HD2' HG22 ' A' ' 398' ' ' ILE . 5.2 ptmm? -78.44 -34.96 47.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 74.41 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -59.87 -50.9 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 65.1 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 71.5 mm-40 -61.09 -24.9 66.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 72.42 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.826 HG13 ' CD2' ' A' ' 351' ' ' LEU . 96.7 t -92.29 -4.66 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 64.3 109.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -98.76 -14.26 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 74.35 110.315 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -95.52 -41.05 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.01 109.299 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 9.0 m-85 -62.33 -59.96 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 73.13 111.013 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 1.055 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.9 mt-10 -54.02 -19.38 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 65.34 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.38 -22.01 16.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 72.12 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -72.85 -42.16 64.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.43 107.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.648 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.3 mm? -39.52 -42.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 64.14 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.37 -40.55 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 72.21 109.267 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.3 mm-40 -63.5 -14.77 54.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.22 110.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.57 -60.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.24 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.21 -53.86 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.24 110.28 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.4 t -45.88 -39.33 8.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 73.14 110.011 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -70.47 -48.14 57.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.12 110.291 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 340' ' ' PRO . 78.9 t -50.17 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 71.45 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.01 -57.28 5.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 64.34 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.2 t -46.21 -36.92 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 71.35 109.969 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -90.58 87.35 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 71.11 109.311 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -117.74 172.17 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 73.04 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -76.6 67.88 2.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 30.23 111.011 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 41.21 109.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.964 -0.854 . . . . 51.51 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -53.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 63.41 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.59 163.08 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 71.35 109.545 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 29.9 mtp -138.19 145.67 41.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 73.41 111.035 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.737 HG21 HH21 ' A' ' 346' ' ' ARG . 11.3 t -64.25 -173.74 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 75.13 110.431 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -42.12 -61.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 63.42 110.277 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.39 110.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 62.45 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.634 ' HA ' HD12 ' A' ' 338' ' ' LEU . 1.8 t80 -75.7 0.13 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 54.41 111.019 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 1.5 t -88.73 -17.44 29.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 44.11 109.978 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -112.09 -18.37 12.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 74.43 109.615 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 335' ' ' PHE . 18.5 mt -39.87 154.79 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 71.21 109.328 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 339' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 343' ' ' GLN . 18.2 Cg_endo -75.02 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 71.41 111.016 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.748 ' HB2' HG23 ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.06 0.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 65.21 110.992 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -95.17 -40.32 9.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 71.24 110.34 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 345' ' ' LYS . 11.6 mt-30 -98.25 -47.39 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 64.44 110.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.575 ' HG3' ' CE1' ' A' ' 335' ' ' PHE . 52.4 tt0 -40.63 -35.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.11 110.323 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 416' ' ' GLU . 9.5 ptm180 -67.76 -47.81 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 73.22 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 342' ' ' GLN . 2.7 ptpt -49.92 -29.76 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 55.43 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.737 HH21 HG21 ' A' ' 332' ' ' THR . 1.4 mmt180 -68.95 -41.47 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 73.12 110.283 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 411' ' ' TRP . 18.5 mt -65.78 -46.11 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.41 109.272 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.793 ' HG2' HD11 ' A' ' 412' ' ' LEU . 24.4 mt-30 -55.81 -20.03 13.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 72.44 110.319 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -87.64 -75.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.44 110.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -46.16 -30.76 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 55.42 110.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 1.021 ' CD1' HG22 ' A' ' 405' ' ' VAL . 0.3 OUTLIER -60.0 -59.13 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 70.32 109.325 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.1 tt0 -60.42 -21.89 62.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 64.11 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 356' ' ' ARG . 75.7 mt-10 -87.87 -10.26 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 64.42 110.317 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.555 ' HD2' HD23 ' A' ' 401' ' ' LEU . 4.2 mmt180 -95.55 -35.92 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 64.53 110.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 358' ' ' LEU . 2.0 t -75.11 -54.8 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 75.13 109.966 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.471 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 0.2 OUTLIER -46.31 -47.55 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.45 110.327 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.923 ' CD ' HD21 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 74.41 110.304 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.705 ' HA ' HD13 ' A' ' 401' ' ' LEU . 3.5 tt -64.19 -48.91 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 61.04 109.351 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.1 tp60 -65.46 -10.06 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 73.33 110.265 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -87.5 -29.72 21.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 74.24 109.292 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 394' ' ' THR . 7.2 mm-40 -78.86 -39.39 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 65.14 110.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.416 ' HA ' ' CG ' ' A' ' 365' ' ' ARG . 3.1 t -79.87 -31.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.0 OUTLIER -61.62 -23.88 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.2 109.268 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.486 ' O ' ' HB3' ' A' ' 367' ' ' ALA . 15.6 pt20 -104.61 -25.28 12.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.103 . . . . 61.21 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.509 ' HE ' HD11 ' A' ' 395' ' ' LEU . 3.6 mmm180 -35.24 -62.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.33 110.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.17 -34.31 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 74.21 110.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -51.1 -50.23 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 75.35 109.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.639 HD13 ' HG3' ' A' ' 390' ' ' GLN . 6.8 mt -42.09 -57.78 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.43 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -45.83 -38.96 7.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.12 109.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.92 ' O ' HG13 ' A' ' 374' ' ' VAL . 16.3 mtmt -72.85 -37.0 67.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.22 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.65 ' O ' HG22 ' A' ' 374' ' ' VAL . 61.8 mmm -63.29 -11.01 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 64.14 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.468 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 1.3 mtpm? -88.47 -55.14 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 72.34 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 373' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 18.5 t0 -50.97 -41.02 59.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 72.31 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.2 m -53.95 -33.41 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 64.31 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.788 ' CE2' HD11 ' A' ' 387' ' ' LEU . 20.5 m-30 -91.48 -27.25 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.42 110.983 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.32 -26.28 68.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.1 110.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 377' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -115.1 -36.31 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.04 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.541 HG22 ' HG3' ' A' ' 380' ' ' GLN . 4.3 m -130.87 69.03 82.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 72.31 110.391 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 379' ' ' PRO . . . . . 0.419 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.57 7.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 72.51 110.969 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 378' ' ' THR . 2.0 pp0? -73.69 -2.84 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 63.1 110.343 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.88 -4.6 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 63.23 111.01 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 176.99 39.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 23.43 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.424 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 0.6 OUTLIER -127.78 144.4 51.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 61.42 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.46 11.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.799 . . . . 75.33 111.009 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.96 -12.56 51.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 74.25 109.257 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 m -100.79 9.01 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.53 110.021 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.788 HD11 ' CE2' ' A' ' 375' ' ' TYR . 13.4 mt -117.02 -3.8 11.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 53.1 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.627 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.98 -43.85 2.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 73.21 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.05 -20.65 16.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 72.44 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.639 ' HG3' HD13 ' A' ' 368' ' ' LEU . 0.7 OUTLIER -89.06 -28.19 20.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 64.01 110.276 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 387' ' ' LEU . 12.6 mt -67.9 -56.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 73.41 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.07 -11.85 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 62.54 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -85.17 -32.95 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.12 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.513 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.0 m -69.22 -34.5 74.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 63.42 110.364 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.509 HD11 ' HE ' ' A' ' 365' ' ' ARG . 2.2 mm? -74.99 -54.58 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 75.22 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 396' ' ' SER . . . . . 0.443 ' O ' ' NE ' ' A' ' 400' ' ' ARG . 3.1 t -60.62 -20.09 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 72.25 109.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 393' ' ' GLU . 78.1 m-20 -90.04 -25.55 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 52.32 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 394' ' ' THR . 10.8 mt -77.26 -46.1 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 71.24 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.858 ' O ' HD22 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -62.29 -36.41 82.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 70.51 110.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 400' ' ' ARG . 3.4 ptp180 -83.02 -7.11 59.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.01 110.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.923 HD21 ' CD ' ' A' ' 357' ' ' GLU . 2.8 mt -89.92 -74.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.4 109.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.474 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.6 OUTLIER -39.49 -44.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 61.33 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 399' ' ' GLU . 1.1 mp -46.64 -49.68 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 71.23 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 21.0 mm-40 -56.3 -44.25 79.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 73.43 110.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 1.021 HG22 ' CD1' ' A' ' 351' ' ' LEU . 3.4 t -73.16 -3.86 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 64.44 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.48 -40.36 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 71.53 110.289 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.623 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -75.02 -41.01 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 75.04 109.358 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.718 ' HB3' HD22 ' A' ' 351' ' ' LEU . 8.7 m-85 -63.91 -59.37 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 61.23 110.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.952 ' HG3' HD21 ' A' ' 351' ' ' LEU . 8.4 mt-10 -54.28 -18.93 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 74.22 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.32 -23.77 15.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.3 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.4 m0 -71.02 -42.01 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 70.01 107.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.793 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.5 mm? -39.72 -42.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.52 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.72 28.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 71.54 109.313 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.9 mm-40 -64.0 -15.02 58.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 75.21 110.267 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.93 -64.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 65.12 109.255 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 344' ' ' ARG . 42.8 mt-10 -38.72 -45.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 73.54 110.278 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.2 p -39.74 -49.83 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 54.23 110.043 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 -57.96 -45.56 86.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.41 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 340' ' ' PRO . 75.9 t -55.71 -62.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 64.54 109.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.02 -31.79 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 75.03 109.271 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.2 m -72.08 -44.74 62.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 61.15 109.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -138.14 112.55 8.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 63.5 109.254 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -84.35 177.36 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 72.23 110.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -134.92 61.98 0.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 74.03 111.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 62.02 109.291 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.003 -0.839 . . . . 63.32 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 73.32 110.979 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -117.96 -177.51 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 52.05 109.616 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 331' ' ' MET . . . . . 0.458 ' HE3' HG22 ' A' ' 332' ' ' THR . 10.1 ptm -117.56 177.81 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 71.12 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 332' ' ' THR . . . . . 0.604 HG21 ' CE1' ' A' ' 335' ' ' PHE . 5.2 t -59.33 -179.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 45.2 110.359 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -126.33 -152.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 74.45 110.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.4 109.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 73.33 109.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.604 ' CE1' HG21 ' A' ' 332' ' ' THR . 7.1 m-85 -58.2 -21.07 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 55.54 110.984 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -22.88 67.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 60.22 109.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -64.65 -13.72 55.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 75.51 109.595 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.731 HD13 ' OE1' ' A' ' 342' ' ' GLN . 0.5 OUTLIER -88.78 160.19 44.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 60.43 109.289 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 170.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 71.3 111.024 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.4 Cg_endo -74.93 1.01 8.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 71.52 111.026 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -85.71 -60.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 72.22 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.731 ' OE1' HD13 ' A' ' 338' ' ' LEU . 0.0 OUTLIER -78.94 -17.73 55.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 72.12 110.331 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -57.51 -28.8 63.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 75.35 110.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.84 ' HA ' HD12 ' A' ' 347' ' ' LEU . 0.9 OUTLIER -79.34 -16.43 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.42 110.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.426 ' HD2' ' NE2' ' A' ' 349' ' ' GLN . 0.0 OUTLIER -79.96 -23.9 41.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 73.13 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 347' ' ' LEU . 1.4 ptm180 -75.26 -30.81 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.53 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.84 HD12 ' HA ' ' A' ' 344' ' ' ARG . 4.1 mt -67.14 -73.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 70.34 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.549 ' CG ' HD11 ' A' ' 412' ' ' LEU . 26.7 mt-30 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.11 110.275 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 347' ' ' LEU . 69.6 mt-30 -67.59 -57.4 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.13 110.288 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 350' ' ' GLN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 70.9 mm-40 -62.96 -30.13 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 72.01 110.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 408' ' ' TYR . 0.1 OUTLIER -62.04 -56.76 15.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.51 109.365 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.41 -11.33 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 74.35 110.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -87.3 -46.95 9.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 54.42 110.29 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.579 ' HB2' HG23 ' A' ' 405' ' ' VAL . 48.2 mmt-85 -62.12 -53.09 60.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.33 110.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 17.8 t -48.54 -23.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 64.25 109.967 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -82.13 -57.86 3.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 64.33 110.333 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.88 ' OE2' HD21 ' A' ' 401' ' ' LEU . 5.4 pt-20 -70.26 -6.27 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 52.5 110.305 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.629 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -87.28 -52.43 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 75.31 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 359' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 46.8 tp60 -68.14 -8.14 35.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 75.25 110.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 360' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -84.35 -29.93 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.3 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 361' ' ' GLU . . . . . 0.755 ' OE1' HG23 ' A' ' 394' ' ' THR . 60.1 mm-40 -96.7 -33.62 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 75.43 110.32 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.837 HG23 HG12 ' A' ' 398' ' ' ILE . 1.8 t -77.07 -19.41 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.32 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 363' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.1 OUTLIER -76.78 -26.0 54.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 72.3 109.312 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 11.0 pt20 -105.12 -25.15 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.44 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.865 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -44.75 -37.66 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 54.25 110.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 366' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.1 pt-20 -88.57 -24.14 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 72.11 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -77.0 -20.42 56.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 50.31 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 391' ' ' ILE . 8.4 mt -56.25 -55.67 30.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 73.14 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -59.18 -22.78 61.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 75.2 109.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -77.33 -23.58 50.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 63.51 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.52 ' CB ' HD13 ' A' ' 387' ' ' LEU . 65.7 mmm -80.22 -6.5 57.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 73.51 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 376' ' ' GLU . 12.7 mttt -86.98 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 70.52 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -48.2 -47.89 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 72.23 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.557 HG23 ' CD1' ' A' ' 375' ' ' TYR . 18.3 m -53.84 -39.33 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 74.23 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.658 ' CE2' HD11 ' A' ' 387' ' ' LEU . 12.8 m-30 -84.33 -16.91 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 63.21 111.006 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 376' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 372' ' ' LYS . 3.2 mm-40 -75.25 -34.61 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.52 110.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 -40.34 5.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 71.22 109.277 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.804 HG22 ' HG2' ' A' ' 380' ' ' GLN . 12.7 m -116.77 83.01 13.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 62.24 110.372 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 74.4 111.019 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.804 ' HG2' HG22 ' A' ' 378' ' ' THR . 9.4 pt20 -78.48 -0.58 29.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 55.34 110.311 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 3.5 mtt -96.65 -48.24 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 71.34 110.986 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -173.65 -167.29 33.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 41.31 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -110.97 135.57 20.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 75.43 109.307 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.98 10.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 61.21 110.984 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.94 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.43 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 13.7 m -93.78 4.0 54.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 73.52 110.012 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.658 HD11 ' CE2' ' A' ' 375' ' ' TYR . 39.9 mt -107.22 -7.7 16.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.51 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.3 mt-10 -77.86 -48.04 2.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 72.34 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.03 -9.2 20.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 44.04 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 390' ' ' GLN . . . . . 0.456 ' HG2' HD13 ' A' ' 368' ' ' LEU . 36.2 tt0 -95.62 -35.23 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.22 110.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 387' ' ' LEU . 11.3 mt -60.27 -67.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.5 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.91 -19.95 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.31 109.293 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 12.1 tt0 -79.68 -37.03 36.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.15 110.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.755 HG23 ' OE1' ' A' ' 361' ' ' GLU . 65.7 m -78.38 -33.67 48.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.42 110.343 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.13 -59.07 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 71.53 109.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' SER . . . . . 0.403 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 12.7 m -61.7 -19.32 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 64.13 110.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.704 ' O ' HD12 ' A' ' 401' ' ' LEU . 37.5 m-20 -85.46 -20.2 30.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 62.42 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.865 HD11 ' HB3' ' A' ' 365' ' ' ARG . 15.5 mt -82.37 -48.01 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 60.21 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 403' ' ' LEU . 2.8 pt-20 -64.95 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.32 110.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.6 ptm180 -71.98 -7.85 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 75.45 110.353 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.88 HD21 ' OE2' ' A' ' 357' ' ' GLU . 7.5 mt -96.86 -68.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.31 109.337 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.531 ' O ' HG12 ' A' ' 405' ' ' VAL . 12.5 ptpt -43.54 -49.58 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 63.34 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.9 mm? -45.72 -41.84 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 74.53 109.272 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 38.3 mm-40 -71.41 -32.0 67.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 72.24 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 354' ' ' ARG . 0.4 OUTLIER -73.78 -4.8 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 73.24 109.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -99.1 -58.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 72.12 110.266 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.608 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -46.06 -44.79 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.43 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.735 ' HB3' HD23 ' A' ' 351' ' ' LEU . 4.9 m-85 -63.28 -56.51 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.32 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' GLU . . . . . 0.505 ' CG ' HD21 ' A' ' 351' ' ' LEU . 1.1 mm-40 -55.22 -20.77 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 61.35 110.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.25 -23.28 15.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 74.5 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -70.66 -39.32 73.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 63.41 107.984 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.549 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.4 mm? -40.29 -44.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 71.12 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.51 -39.82 36.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 52.44 109.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.1 mm-40 -63.18 -16.03 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.34 110.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -101.64 -67.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 54.01 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.93 -43.18 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 63.43 110.262 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -39.11 -44.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 62.11 109.992 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.35 -53.09 60.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 63.24 110.31 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 53.9 t -50.25 -58.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 63.03 109.266 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.6 mt -53.15 -33.51 52.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.22 109.29 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' SER . . . . . 0.427 ' C ' ' NH1' ' A' ' 423' ' ' ARG . 4.4 p -74.79 -28.6 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 44.33 110.038 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 422' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 422' ' ' ASN . 0.7 OUTLIER -148.2 116.01 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 75.25 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.604 ' H ' ' NE ' ' A' ' 423' ' ' ARG . 0.0 OUTLIER -75.73 -176.42 3.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 73.11 110.312 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 159.29 46.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.505 1.128 . . . . 72.12 110.982 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 62.02 109.252 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.021 -0.832 . . . . 62.23 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.79 40.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.773 . . . . 73.11 111.022 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.06 172.09 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 71.0 109.605 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 40.9 mmm -124.9 157.64 35.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 61.21 110.993 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 14.9 t -100.36 -173.37 2.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 74.42 110.421 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -117.22 -72.24 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 75.32 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 335' ' ' PHE . 64.5 t0 -77.67 144.34 37.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 71.34 109.24 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 346' ' ' ARG . 35.5 m-85 -119.12 63.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 75.14 111.0 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 85.3 p -103.91 -58.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 61.5 110.029 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 337' ' ' HIS . . . . . 0.414 ' CE1' ' HG ' ' A' ' 338' ' ' LEU . 33.3 p-80 -44.62 -32.72 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 74.34 109.554 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 338' ' ' LEU . . . . . 0.552 HD13 ' HD2' ' A' ' 346' ' ' ARG . 11.4 mt -70.84 156.65 91.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 60.11 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 70.4 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.28 7.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 61.15 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -98.12 -23.63 15.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 61.34 110.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 345' ' ' LYS . 94.5 mm-40 -98.29 -33.33 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 63.32 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -47.45 -51.31 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 71.41 110.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' ARG . . . . . 0.469 ' HG3' ' CD ' ' A' ' 345' ' ' LYS . 9.5 ptm180 -62.2 -21.51 65.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 64.42 110.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 345' ' ' LYS . . . . . 0.647 ' HB2' HH21 ' A' ' 346' ' ' ARG . 0.0 OUTLIER -81.57 -41.54 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 74.24 109.305 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 346' ' ' ARG . . . . . 0.712 ' HE ' ' N ' ' A' ' 346' ' ' ARG . 0.8 OUTLIER -53.88 -43.74 69.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 70.05 110.298 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 347' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 411' ' ' TRP . 18.2 mt -56.95 -68.22 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 65.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 348' ' ' GLN . . . . . 0.743 ' CG ' HD11 ' A' ' 412' ' ' LEU . 14.2 mt-30 -38.16 -38.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 72.52 110.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.647 HE22 ' CZ ' ' A' ' 346' ' ' ARG . 5.8 mt-30 -68.12 -60.17 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 53.01 110.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.04 -14.27 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 62.23 110.278 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' LEU . . . . . 0.794 HD12 HG13 ' A' ' 405' ' ' VAL . 15.8 tp -73.21 -50.74 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 65.14 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.74 -36.1 73.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.01 110.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.8 mt-10 -71.15 -60.21 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 75.14 110.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 354' ' ' ARG . . . . . 0.738 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.6 tpt180 -45.01 -42.23 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 63.4 110.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 13.5 t -72.13 -31.98 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 55.04 109.974 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 353' ' ' GLU . 12.5 mtt180 -66.27 -50.96 61.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 74.24 110.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 357' ' ' GLU . . . . . 0.753 ' OE1' HD21 ' A' ' 401' ' ' LEU . 3.0 pt-20 -71.22 -5.53 32.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 70.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 358' ' ' LEU . . . . . 0.982 ' HA ' HD13 ' A' ' 401' ' ' LEU . 1.9 tt -92.96 -47.75 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 70.23 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -71.81 -15.81 62.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.12 110.33 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.2 -25.95 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 64.23 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -91.08 -30.04 16.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 73.42 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' VAL . . . . . 0.464 HG22 HD13 ' A' ' 398' ' ' ILE . 2.0 t -77.15 -25.19 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.45 -24.37 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 70.12 109.28 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 364' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 367' ' ' ALA . 8.4 pt20 -104.98 -27.4 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 62.14 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 365' ' ' ARG . . . . . 0.55 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -46.8 -33.83 4.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 64.45 110.228 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 366' ' ' GLU . . . . . 0.484 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 2.0 pt-20 -84.99 -25.55 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.24 110.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 367' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -76.07 -30.03 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 41.03 109.291 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 394' ' ' THR . 15.2 mt -48.47 -54.65 13.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 73.24 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -59.02 -26.22 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.14 109.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 370' ' ' LYS . . . . . 0.927 ' O ' HG13 ' A' ' 374' ' ' VAL . 22.6 mtpt -78.91 -31.19 45.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 75.22 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 371' ' ' MET . . . . . 0.623 ' O ' HG22 ' A' ' 374' ' ' VAL . 61.9 mmm -68.54 -8.91 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 74.43 110.964 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.628 ' HD2' HD11 ' A' ' 391' ' ' ILE . 14.3 mtpt -90.18 -54.46 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.41 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 373' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 35.5 t0 -51.45 -39.1 56.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 70.22 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 374' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 370' ' ' LYS . 5.1 m -55.82 -33.47 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.22 109.281 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 375' ' ' TYR . . . . . 0.879 ' CD1' HG23 ' A' ' 374' ' ' VAL . 17.8 m-30 -91.77 -23.91 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 75.24 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.64 -28.46 68.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.03 110.318 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 377' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -114.04 -35.74 4.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 71.21 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 378' ' ' THR . . . . . 0.887 HG22 ' HG2' ' A' ' 380' ' ' GLN . 4.4 m -125.57 84.92 59.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 44.3 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.39 8.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.761 . . . . 70.13 110.983 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 380' ' ' GLN . . . . . 0.887 ' HG2' HG22 ' A' ' 378' ' ' THR . 7.4 pt20 -82.02 -1.16 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 54.35 110.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 381' ' ' MET . . . . . 0.438 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 5.9 mtt -90.95 -49.91 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 74.21 111.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.408 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -169.52 -158.2 13.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 51.33 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.05 134.64 23.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 55.22 109.31 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 384' ' ' PRO . . . . . 0.415 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.4 Cg_endo -74.98 -29.33 8.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 75.13 111.009 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 73.41 109.29 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 15.9 m -92.53 7.72 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 75.43 110.013 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 375' ' ' TYR . 89.3 mt -111.85 -12.29 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.24 109.336 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 4.2 mm-40 -72.96 -43.78 8.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 70.41 110.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.95 -8.12 19.83 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.53 1.805 . . . . 71.21 111.0 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -97.4 -38.14 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 75.3 110.278 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.628 HD11 ' HD2' ' A' ' 372' ' ' LYS . 24.8 mt -62.27 -68.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 73.03 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 392' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 396' ' ' SER . . . -49.34 -23.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.52 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -75.57 -39.71 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.05 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 398' ' ' ILE . 7.8 m -84.83 -16.05 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 63.11 110.408 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 395' ' ' LEU . . . . . 0.54 HD23 HG23 ' A' ' 391' ' ' ILE . 3.1 mm? -95.62 -27.88 15.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 73.22 109.326 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 396' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 392' ' ' ALA . 49.5 m -92.03 -7.85 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 60.41 110.022 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 397' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 72.6 m-20 -97.53 -52.87 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 61.2 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 394' ' ' THR . 79.7 mt -45.65 -42.28 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 50.25 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -56.19 -38.31 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.23 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 7.1 mtt-85 -80.29 -31.02 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 75.01 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 1.025 ' O ' HG23 ' A' ' 405' ' ' VAL . 22.8 mt -59.19 -70.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 74.21 109.326 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.443 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -48.77 -55.32 11.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.15 109.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 403' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 399' ' ' GLU . 4.6 mp -45.13 -49.08 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 75.12 109.306 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' GLU . . . . . 0.735 ' HG3' HH21 ' A' ' 354' ' ' ARG . 13.9 mm-40 -66.53 -31.67 72.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 74.41 110.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 401' ' ' LEU . 7.5 t -76.51 -4.89 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 75.22 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.05 -58.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.33 110.298 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 2.9 ptpt -43.18 -44.56 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.32 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 408' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 412' ' ' LEU . 9.8 m-85 -61.08 -59.67 4.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 52.33 111.005 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -53.07 -19.98 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 65.3 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.46 -21.96 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 61.43 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 411' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.4 m0 -73.77 -38.97 64.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 74.13 107.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.7 mm? -39.38 -43.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.43 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.21 27.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 63.25 109.263 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -63.25 -15.01 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 41.32 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -67.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 42.41 109.31 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.454 ' CD ' ' NH2' ' A' ' 344' ' ' ARG . 39.1 mt-10 -38.86 -46.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.34 110.262 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.2 t -39.57 -53.04 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.21 110.031 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 418' ' ' ARG . . . . . 0.423 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 0.6 OUTLIER -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 74.51 110.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 59.2 t -47.08 -62.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 73.53 109.371 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 17.9 mt -44.96 -43.93 9.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 71.22 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.5 t -56.15 -53.02 62.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 72.41 109.997 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -73.18 91.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 63.33 109.272 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -94.28 142.76 27.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 73.44 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -98.61 -20.09 20.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 55.44 111.036 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 53.41 109.304 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.332 -0.247 . . . . 73.43 110.332 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.414 ' NE2' ' HG2' ' A' ' 345' ' ' LYS . 0.0 OUTLIER -91.23 -21.41 21.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 55.51 110.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -57.87 -43.92 86.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 75.42 110.347 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.496 HH21 HE22 ' A' ' 348' ' ' GLN . 2.5 ptm180 -74.71 -6.08 46.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 55.12 110.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 345' ' ' LYS . 2.3 tptt -88.54 -9.85 50.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.22 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -84.22 -61.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 62.43 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.685 HD23 ' HE3' ' A' ' 411' ' ' TRP . 0.5 OUTLIER -48.94 -52.74 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 71.34 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.945 ' HG3' HD11 ' A' ' 412' ' ' LEU . 59.4 mt-30 -38.67 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.11 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.569 ' H ' ' NE2' ' A' ' 349' ' ' GLN . 1.4 mp0 -45.49 -60.16 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 65.22 110.276 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -48.43 -26.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 73.32 110.291 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.772 HD23 ' CB ' ' A' ' 408' ' ' TYR . 1.1 tm? -76.19 -44.73 36.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 62.41 109.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.77 -22.36 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 74.43 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 356' ' ' ARG . 2.9 mm-40 -90.15 -56.38 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 110.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.503 HH21 ' HG3' ' A' ' 404' ' ' GLU . 1.6 tpt180 -46.88 -24.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.11 110.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.4 t -92.56 -32.34 14.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.31 110.015 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 353' ' ' GLU . 6.3 mmm-85 -62.59 -53.23 57.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.11 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.928 ' OE2' HD21 ' A' ' 401' ' ' LEU . 2.4 pt-20 -63.45 -12.55 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 70.53 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 358' ' ' LEU . 3.3 tt -85.52 -48.69 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 53.11 109.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.07 -14.09 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 73.3 110.258 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -81.55 -31.57 32.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 73.13 109.302 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 365' ' ' ARG . 5.5 mt-10 -90.16 -22.64 21.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 72.52 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.414 ' HA ' ' CB ' ' A' ' 365' ' ' ARG . 3.1 t -78.95 -37.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 43.45 109.312 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.61 -30.57 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 44.52 109.319 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 5.8 pt20 -104.66 -23.95 13.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 62.23 110.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.543 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -38.85 -48.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 62.05 110.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -87.8 -23.42 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 64.12 110.248 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -70.06 -20.2 63.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 33.04 109.303 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 391' ' ' ILE . 9.7 mt -58.63 -55.13 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.4 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . 0.416 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 5.3 mtmp? -49.46 -36.88 24.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.44 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.939 ' O ' HG13 ' A' ' 374' ' ' VAL . 15.1 mtmt -76.31 -32.92 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 64.21 109.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.572 ' O ' HG22 ' A' ' 374' ' ' VAL . 52.2 mmm -66.84 -8.11 26.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 75.11 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.526 ' HD2' HD11 ' A' ' 391' ' ' ILE . 10.2 mtpt -90.78 -56.61 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.13 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 9.5 t0 -50.42 -41.66 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 74.3 109.249 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.939 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.4 m -50.27 -35.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.02 109.291 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.802 ' CD1' HG23 ' A' ' 374' ' ' VAL . 20.0 m-30 -90.24 -33.01 16.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 64.44 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.72 -27.04 58.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 74.12 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.8 OUTLIER -114.75 -35.84 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 54.53 109.301 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.2 m -131.53 69.22 81.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 72.24 110.397 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . 0.477 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -74.97 0.95 8.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.499 1.789 . . . . 51.14 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.4 ' HG2' HG22 ' A' ' 378' ' ' THR . 6.2 pt20 -71.47 -7.24 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 60.14 110.251 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -113.18 -4.84 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 73.41 110.976 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 168.12 171.56 34.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 53.35 110.979 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -120.08 143.43 35.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 75.42 109.292 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 74.22 111.02 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -68.55 -13.67 62.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 62.02 109.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 9.8 t -100.63 8.7 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 71.21 110.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.662 HD11 ' CE2' ' A' ' 375' ' ' TYR . 97.6 mt -114.22 -1.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 74.02 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.92 -47.98 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.24 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.94 -6.56 18.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 71.04 111.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -99.44 -33.74 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.5 110.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.547 ' HA ' HD12 ' A' ' 368' ' ' LEU . 24.0 mt -65.51 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.24 109.29 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 64.13 109.359 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.29 -38.8 49.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 61.05 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.614 ' O ' HD12 ' A' ' 398' ' ' ILE . 3.4 m -79.38 -18.39 52.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 63.54 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 3.0 mm? -93.6 -28.22 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 73.31 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 41.2 m -90.92 -20.54 22.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.22 109.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 399' ' ' GLU . 79.3 m-20 -84.22 -51.91 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 73.51 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 394' ' ' THR . 52.5 mt -44.81 -27.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 75.43 109.25 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.5 OUTLIER -75.85 -57.88 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 71.52 110.254 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 400' ' ' ARG . 4.8 ptp180 -66.62 -9.39 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.35 110.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.928 HD21 ' OE2' ' A' ' 357' ' ' GLU . 4.2 mt -89.91 -67.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 74.25 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' A' ' 358' ' ' LEU . 6.4 ptmt -49.92 -46.23 51.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 71.24 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -45.77 -48.67 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 74.01 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.503 ' HG3' HH21 ' A' ' 354' ' ' ARG . 43.4 mm-40 -68.29 -31.81 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.24 110.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.494 ' HA ' ' CD2' ' A' ' 351' ' ' LEU . 62.3 t -73.42 -5.09 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 71.51 109.284 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -99.38 -58.4 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 62.22 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.3 ptpp? -45.78 -43.57 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 72.23 109.26 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.772 ' CB ' HD23 ' A' ' 351' ' ' LEU . 4.5 m-85 -63.14 -59.33 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.42 110.955 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.54 -20.59 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.2 110.289 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.37 -24.1 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 64.11 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.685 ' HE3' HD23 ' A' ' 347' ' ' LEU . 43.5 m0 -69.3 -40.67 77.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.956 -1.127 . . . . 75.22 107.956 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.945 HD11 ' HG3' ' A' ' 348' ' ' GLN . 4.1 mm? -40.47 -44.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.12 109.331 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.05 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 73.41 109.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.84 -15.1 62.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 75.04 110.278 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -102.05 -57.65 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 60.44 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 419' ' ' VAL . 6.7 mt-10 -49.21 -34.0 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 71.12 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 38.3 t -42.66 -35.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 71.25 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.06 -44.31 96.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 73.11 110.307 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 416' ' ' GLU . 40.7 t -64.94 -61.31 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 61.32 109.263 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 73.21 109.332 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.353 -0.24 . . . . 75.53 110.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.21 -18.08 18.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 74.21 110.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -69.27 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.14 110.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 10.3 ptm180 -70.79 -19.99 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 42.23 110.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -65.3 -44.19 88.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 63.12 109.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 346' ' ' ARG . 0.4 OUTLIER -59.1 -66.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 73.41 110.256 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 411' ' ' TRP . 3.3 mt -34.6 -67.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 62.43 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.766 ' CG ' HD11 ' A' ' 412' ' ' LEU . 77.2 mt-30 -40.49 -55.13 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 64.42 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -52.82 -62.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 72.34 110.324 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.38 -17.08 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 64.02 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 1.026 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.6 tt -68.64 -51.91 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 54.24 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 17.5 tt0 -64.4 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 61.5 110.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.69 -48.9 70.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 73.11 110.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.966 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.9 tpt180 -66.2 -37.47 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 72.44 110.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.7 t -76.39 -2.5 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.14 110.018 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 3.0 mmt-85 -98.24 -20.32 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 72.21 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.709 ' OE2' HD21 ' A' ' 401' ' ' LEU . 5.4 pt-20 -102.16 -16.47 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 72.22 110.3 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.95 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -75.24 -52.23 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 72.33 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -63.87 -13.18 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 74.13 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -89.2 -34.04 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 72.11 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 365' ' ' ARG . 9.1 mm-40 -82.17 -29.79 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.32 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 3.1 t -79.16 -33.9 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.03 109.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.88 -31.74 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 52.22 109.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 7.0 pt20 -103.92 -22.78 13.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.41 110.311 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.71 ' NH1' HD11 ' A' ' 395' ' ' LEU . 0.0 OUTLIER -38.73 -51.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 73.35 110.299 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.08 -23.94 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.41 110.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -68.66 -22.94 64.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 52.24 109.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 391' ' ' ILE . 12.3 mt -57.62 -53.76 54.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 74.53 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -54.0 -31.31 50.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 52.24 109.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.928 ' O ' HG13 ' A' ' 374' ' ' VAL . 18.9 mtmt -72.06 -38.08 69.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 72.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.656 ' O ' HG22 ' A' ' 374' ' ' VAL . 60.1 mmm -62.16 -12.02 17.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 35.24 111.001 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.556 ' HD2' HD11 ' A' ' 391' ' ' ILE . 1.1 mtpm? -88.58 -54.84 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 72.12 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -51.2 -40.89 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 70.23 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.928 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.4 m -53.48 -33.35 21.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.03 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.815 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.5 m-30 -92.21 -23.11 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.22 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.45 -26.4 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 53.35 110.294 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -36.64 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 70.33 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.851 HG22 ' HG2' ' A' ' 380' ' ' GLN . 8.3 m -128.49 87.99 53.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 73.11 110.37 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.28 9.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 62.51 111.06 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.851 ' HG2' HG22 ' A' ' 378' ' ' THR . 3.0 pt20 -77.8 -6.8 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 72.41 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 9.8 mtt -89.61 -51.15 5.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 71.41 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.603 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -167.8 -149.82 6.26 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.49 1.119 . . . . 75.44 110.987 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.43 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 1.7 t0 -134.95 139.75 33.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 73.41 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 74.3 110.976 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.9 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.235 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 19.3 m -99.92 8.04 44.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.42 109.995 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 391' ' ' ILE . 14.1 mt -116.19 -0.51 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.44 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.6 mt-10 -79.5 -48.33 1.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.22 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -7.83 19.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 53.11 111.012 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.473 ' HG2' HD13 ' A' ' 368' ' ' LEU . 7.0 tt0 -98.94 -34.73 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 64.51 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 387' ' ' LEU . 10.8 mt -64.54 -62.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.43 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.17 -21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 54.31 109.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.76 -38.48 46.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.22 110.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.727 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.5 m -79.82 -18.48 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 72.33 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.71 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.2 mm? -92.56 -27.89 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 65.31 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 28.4 t -94.19 -7.03 43.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 62.31 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -100.0 -32.37 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 62.34 109.361 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 394' ' ' THR . 31.0 mt -66.75 -25.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 71.53 109.374 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.514 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -77.46 -23.43 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 74.45 110.318 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 8.4 mtp180 -96.45 -27.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.41 110.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.999 ' O ' HG23 ' A' ' 405' ' ' VAL . 51.0 mt -65.15 -72.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 74.23 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 10.5 ptmt -49.3 -47.34 47.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 61.43 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.1 mm? -52.01 -50.5 61.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 72.04 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.628 ' HG3' HH21 ' A' ' 354' ' ' ARG . 38.0 mm-40 -65.56 -30.83 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 53.51 110.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 401' ' ' LEU . 9.6 t -78.93 -4.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 75.54 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 407' ' ' LYS . 15.2 mt-30 -98.83 -58.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 64.11 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -40.48 -46.85 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 70.51 109.257 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.4 m-85 -60.53 -60.02 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.15 111.027 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 1.026 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.3 mt-10 -54.19 -19.15 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 72.05 110.354 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.23 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 51.04 109.337 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.1 m0 -74.88 -40.2 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 70.21 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.766 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.9 mm? -38.38 -43.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 55.21 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.54 -41.6 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 62.3 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -61.44 -15.53 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 51.15 110.258 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.93 -68.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 70.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.499 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 37.4 mt-10 -38.83 -42.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 74.43 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 12.4 t -41.16 -49.64 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 72.43 109.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -56.7 -41.09 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 53.44 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 416' ' ' GLU . 47.9 t -60.78 -66.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 53.33 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 75.34 109.288 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.3 -0.259 . . . . 71.23 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -98.28 -13.56 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 72.41 110.315 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -86.29 -46.96 9.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 62.54 110.323 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.829 ' NH2' HD12 ' A' ' 412' ' ' LEU . 3.5 ptm85 -59.1 -22.39 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 71.54 110.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 346' ' ' ARG . 0.5 OUTLIER -64.02 -42.01 97.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 64.04 109.299 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 347' ' ' LEU . 20.2 mmm180 -55.67 -59.44 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 73.51 110.3 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.829 HD22 ' HE3' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -36.07 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 62.44 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.632 ' HG2' HD11 ' A' ' 412' ' ' LEU . 27.2 mt-30 -38.01 -57.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 73.25 110.335 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -47.78 -64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 73.02 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 408' ' ' TYR . 29.6 mm-40 -60.73 -15.96 34.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 75.2 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.718 HD11 ' HG2' ' A' ' 409' ' ' GLU . 0.9 OUTLIER -73.02 -38.41 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 72.51 109.296 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -89.79 -6.28 56.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 74.42 110.271 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -96.27 -42.47 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 73.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.95 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.5 tpt180 -68.71 -39.35 80.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 75.34 110.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 9.7 p -76.04 -4.59 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 53.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -89.84 -29.96 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 73.1 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.599 ' HG3' HD22 ' A' ' 401' ' ' LEU . 4.2 pt-20 -98.04 -20.95 17.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 75.14 110.325 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.846 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.2 OUTLIER -65.61 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.04 109.293 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 43.7 tp60 -45.94 -26.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 54.3 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -71.86 -61.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 74.43 109.283 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 361' ' ' GLU . 0.2 OUTLIER -50.5 -41.88 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 74.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.756 HG23 HG12 ' A' ' 398' ' ' ILE . 3.0 t -75.14 -36.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 73.25 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.2 OUTLIER -58.51 -41.55 85.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 65.51 109.277 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.675 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 8.0 pt20 -92.7 -23.11 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 72.1 110.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.806 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.1 OUTLIER -38.99 -54.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 63.34 110.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -80.23 -22.94 41.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 73.55 110.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -69.66 -23.81 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 53.21 109.303 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.531 HD22 HE21 ' A' ' 390' ' ' GLN . 15.9 mt -56.56 -52.51 64.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 65.13 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . 0.418 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 1.6 mtpm? -53.04 -30.08 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 65.21 109.273 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.915 ' O ' HG13 ' A' ' 374' ' ' VAL . 21.5 mtpt -81.79 -31.56 31.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 64.22 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.584 ' O ' HG22 ' A' ' 374' ' ' VAL . 57.8 mmm -69.47 -6.79 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 75.44 111.037 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.6 mtpt -90.93 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 52.35 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 15.1 t0 -50.42 -41.4 52.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 75.25 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.915 HG13 ' O ' ' A' ' 370' ' ' LYS . 9.5 m -50.66 -35.12 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 75.21 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.812 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.7 m-30 -90.11 -32.58 16.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 74.42 110.985 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -57.06 -27.73 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 61.43 110.338 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.1 OUTLIER -114.12 -35.04 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 64.02 109.33 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.455 ' O ' ' CG ' ' A' ' 381' ' ' MET . 55.0 m -132.03 69.06 80.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 71.14 110.43 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . 0.485 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.27 7.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 62.11 110.998 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -72.68 -3.99 28.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 64.44 110.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.455 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.84 -4.24 11.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.21 111.004 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 169.14 175.55 38.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 63.23 110.996 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.08 142.63 41.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 60.45 109.276 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.64 10.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.44 111.012 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.33 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.34 109.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 3.8 t -100.04 8.96 43.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 41.33 110.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.733 ' O ' HD12 ' A' ' 391' ' ' ILE . 96.0 mt -114.27 -2.4 13.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 53.4 109.342 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.7 mt-10 -78.03 -47.97 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 75.01 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.09 -6.75 18.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 73.51 110.958 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.531 HE21 HD22 ' A' ' 368' ' ' LEU . 30.3 tt0 -98.24 -34.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 64.4 110.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 387' ' ' LEU . 7.4 mt -61.57 -65.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 61.14 109.265 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.56 -18.81 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 71.43 109.338 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.416 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 11.6 tt0 -78.48 -36.71 44.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 62.11 110.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.496 ' OG1' HD11 ' A' ' 368' ' ' LEU . 4.5 m -68.79 -43.8 74.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 61.34 110.398 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.1 -48.82 80.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 55.1 109.286 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 19.2 m -69.88 -21.69 63.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 61.44 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.784 ' O ' HD12 ' A' ' 401' ' ' LEU . 89.7 m-20 -90.55 -13.76 33.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 74.44 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.806 HD11 ' HB2' ' A' ' 365' ' ' ARG . 13.2 mt -87.43 -29.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.11 109.291 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.57 -17.91 34.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 61.45 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.9 ptp180 -92.06 -7.87 47.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 63.22 110.346 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 1.021 ' O ' HG23 ' A' ' 405' ' ' VAL . 12.4 mt -96.74 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 62.25 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.565 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.0 OUTLIER -45.54 -52.83 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 72.13 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.69 -52.2 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 53.21 109.296 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.495 ' HG3' HH21 ' A' ' 354' ' ' ARG . 64.2 mm-40 -66.75 -27.99 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 62.01 110.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 401' ' ' LEU . 11.3 t -77.7 -5.08 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 15.41 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -98.89 -58.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.13 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.26 -43.23 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 75.41 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 350' ' ' GLN . 9.0 m-85 -62.25 -60.16 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.53 110.981 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.718 ' HG2' HD11 ' A' ' 351' ' ' LEU . 9.1 mm-40 -54.02 -19.76 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 65.45 110.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.01 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.44 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.829 ' HE3' HD22 ' A' ' 347' ' ' LEU . 42.3 m0 -73.25 -42.29 62.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 73.12 107.99 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.829 HD12 ' NH2' ' A' ' 344' ' ' ARG . 4.5 mm? -40.53 -43.41 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 54.2 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.91 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 54.24 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.3 mm-40 -65.02 -14.27 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 74.42 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.6 -65.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 62.32 109.28 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.521 ' CG ' ' NH1' ' A' ' 344' ' ' ARG . 0.2 OUTLIER -38.85 -57.14 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 74.25 110.298 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 t -43.6 -48.75 7.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 73.42 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.34 -44.45 84.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 61.3 110.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 67.0 t -55.2 -73.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 70.11 109.305 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 71.33 109.31 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.308 -0.256 . . . . 62.21 110.308 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 345' ' ' LYS . 9.5 mt-30 -90.68 -37.05 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 64.12 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -42.01 -29.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.53 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.847 ' NH2' HG21 ' A' ' 419' ' ' VAL . 7.3 ptp180 -87.23 -38.99 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 64.1 110.336 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.7 ptmt -59.79 -34.75 73.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 72.21 109.278 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 347' ' ' LEU . 11.2 mmt180 -63.1 -54.88 30.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 74.22 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.771 HD13 ' CB ' ' A' ' 411' ' ' TRP . 7.2 mt -39.69 -69.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 71.33 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.729 ' HG2' HD11 ' A' ' 412' ' ' LEU . 27.3 mt-30 -40.62 -65.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 75.23 110.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 352' ' ' GLU . 0.8 OUTLIER -41.81 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 65.4 110.331 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 408' ' ' TYR . 32.7 mm-40 -46.32 -25.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 72.52 110.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 1.063 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.0 OUTLIER -68.91 -45.59 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.4 109.285 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 349' ' ' GLN . 2.1 tt0 -69.1 -28.99 66.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.41 110.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -72.8 -57.37 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 64.43 110.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.726 ' HB3' HG23 ' A' ' 405' ' ' VAL . 22.2 mmt-85 -60.42 -31.74 70.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.03 110.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.5 t -78.51 -35.32 46.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -37.82 76.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 62.34 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.686 ' CG ' HD21 ' A' ' 401' ' ' LEU . 6.6 pt-20 -86.43 -6.47 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 72.31 110.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.953 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.0 OUTLIER -88.76 -41.87 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 74.35 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.635 ' N ' HD13 ' A' ' 358' ' ' LEU . 69.7 tp60 -66.06 -9.83 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.01 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -12.8 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 72.33 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.57 -41.51 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.24 110.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.667 HG23 HG12 ' A' ' 398' ' ' ILE . 1.9 t -77.24 -19.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 74.33 109.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 2.9 t0 -76.76 -25.81 53.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 65.24 109.252 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.623 HE21 HD21 ' A' ' 368' ' ' LEU . 6.8 pt20 -105.35 -25.32 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 65.42 110.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.884 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -44.23 -37.69 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 65.33 110.287 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 365' ' ' ARG . 3.7 pt-20 -85.74 -25.89 26.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.45 110.25 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -67.04 -45.63 76.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 52.15 109.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.758 HD22 ' NE2' ' A' ' 390' ' ' GLN . 10.3 mt -40.1 -61.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.22 109.253 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -45.76 -41.51 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 53.44 109.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.946 ' O ' HG13 ' A' ' 374' ' ' VAL . 21.7 mtmt -65.66 -39.97 91.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.02 109.277 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.687 ' O ' HG22 ' A' ' 374' ' ' VAL . 38.5 mmm -60.47 -13.38 13.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 74.24 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.73 ' HD2' HD11 ' A' ' 391' ' ' ILE . 16.2 mtpt -88.41 -54.53 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 45.43 109.235 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.9 t0 -51.55 -40.5 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 71.11 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.946 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.4 m -53.26 -33.05 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 73.02 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.902 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.8 m-30 -92.73 -23.72 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 70.01 111.011 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.15 -27.35 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 73.32 110.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 1.1 ptmt -113.89 -35.59 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.53 109.302 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.856 HG22 ' HG2' ' A' ' 380' ' ' GLN . 7.8 m -127.98 86.24 58.65 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.54 110.383 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 70.13 111.029 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.856 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.9 pt20 -81.38 -2.46 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 64.44 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . . . . . . . . . 7.5 mtt -89.75 -50.67 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 50.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.458 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -166.61 -141.02 3.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 70.14 111.023 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.46 132.91 15.62 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.11 109.279 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.45 11.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 63.32 111.057 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 64.11 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 29.7 t -99.69 4.87 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 63.23 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.902 HD11 ' CE2' ' A' ' 375' ' ' TYR . 19.1 mt -110.54 -2.84 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 74.21 109.32 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -78.01 -47.96 2.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 71.52 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.04 -5.77 17.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 42.03 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.758 ' NE2' HD22 ' A' ' 368' ' ' LEU . 23.0 tt0 -99.38 -32.03 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.2 110.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.73 HD11 ' HD2' ' A' ' 372' ' ' LYS . 8.5 mt -66.08 -71.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 72.43 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 391' ' ' ILE . . . -47.77 -24.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 54.33 109.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 7.8 tt0 -72.91 -40.59 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 72.21 110.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 391' ' ' ILE . 89.5 m -75.9 -46.42 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 72.43 110.39 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.476 HD23 HG23 ' A' ' 391' ' ' ILE . 3.7 mm? -56.86 -53.37 58.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.42 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 11.4 t -63.73 -23.19 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 71.51 110.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 58.5 m-20 -84.76 -20.63 30.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 73.21 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.884 HD11 ' HB3' ' A' ' 365' ' ' ARG . 38.2 mt -79.57 -47.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 75.25 109.244 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.7 OUTLIER -62.79 -36.08 81.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 74.33 110.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptp180 -79.97 -7.16 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 71.55 110.299 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.953 HD13 ' HA ' ' A' ' 358' ' ' LEU . 3.6 mt -96.77 -75.13 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 71.04 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.405 ' HD2' HG22 ' A' ' 398' ' ' ILE . 3.4 ptmm? -40.21 -42.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 64.42 109.289 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.3 OUTLIER -52.52 -51.61 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 74.42 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.7 mm-40 -64.03 -32.05 73.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.726 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.0 t -76.94 -5.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 71.21 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -99.29 -58.01 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.13 110.287 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -43.04 -44.94 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 63.04 109.3 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 350' ' ' GLN . 8.4 m-85 -61.51 -56.8 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 72.44 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 1.063 ' CG ' HD11 ' A' ' 351' ' ' LEU . 5.2 mt-10 -53.91 -21.61 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.21 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.49 -20.73 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 61.24 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.771 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.7 m0 -74.18 -38.87 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 71.03 108.028 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.729 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.4 mm? -39.73 -44.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 74.33 109.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 417' ' ' SER . . . -78.84 -40.9 31.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 73.51 109.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.8 mm-40 -62.16 -16.07 50.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 72.43 110.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.14 -68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.54 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 419' ' ' VAL . 8.8 mt-10 -42.36 -50.12 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 61.44 110.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 413' ' ' ALA . 38.8 t -42.52 -53.99 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.03 110.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -53.29 -35.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 74.51 110.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.847 HG21 ' NH2' ' A' ' 344' ' ' ARG . 35.0 t -70.64 -57.79 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 65.14 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 419' ' ' VAL . 60.1 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 61.41 109.342 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . 0.725 ' HG3' HG11 ' A' ' 419' ' ' VAL . 13.3 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.322 -0.251 . . . . 74.21 110.322 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 345' ' ' LYS . 29.2 mm100 -97.65 -44.98 6.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 71.2 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -42.91 -39.34 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 61.22 110.265 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 412' ' ' LEU . 0.4 OUTLIER -76.45 -36.25 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 54.52 110.332 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.0 tppt? -54.16 -30.37 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 75.25 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -77.23 -37.39 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 64.43 110.248 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' A' ' 411' ' ' TRP . 46.5 mt -54.47 -55.04 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 74.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.697 ' CG ' HD11 ' A' ' 412' ' ' LEU . 31.8 mt-30 -45.14 -38.83 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 41.43 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -70.88 -54.46 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 75.21 110.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.41 -13.77 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 72.35 110.352 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.879 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.2 tt -72.0 -58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 71.32 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.37 -27.69 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 70.3 110.285 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.27 -62.07 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.32 110.331 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.935 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.6 tpt180 -48.63 -37.2 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.13 110.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.7 t -70.48 -46.98 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -45.86 -34.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 64.11 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 361' ' ' GLU . 3.6 mm-40 -90.07 -34.28 15.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 70.14 110.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 358' ' ' LEU . 0.6 OUTLIER -53.51 -51.75 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.02 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 40.8 tp60 -63.07 -29.87 71.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 73.4 110.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -65.97 -53.8 34.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.52 109.327 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -64.54 -39.28 93.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 72.14 110.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.844 HG23 HG12 ' A' ' 398' ' ' ILE . 1.6 t -76.27 -19.63 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.31 109.315 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.7 OUTLIER -76.38 -26.4 55.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.01 109.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.545 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 4.4 pt20 -104.91 -24.65 12.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 65.22 110.273 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.851 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.47 -36.84 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 72.23 110.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.3 pt-20 -91.84 -22.57 20.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 72.1 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -78.4 -18.6 54.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 65.53 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.539 HD11 ' OG1' ' A' ' 394' ' ' THR . 7.1 mt -57.91 -57.08 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 74.24 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -48.48 -34.25 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 63.14 109.274 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 1.006 ' O ' HG13 ' A' ' 374' ' ' VAL . 10.3 mtmm -76.71 -36.83 56.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 52.35 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.553 ' O ' HG22 ' A' ' 374' ' ' VAL . 50.0 mmm -61.68 -11.9 13.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.11 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.464 ' CE ' HD11 ' A' ' 391' ' ' ILE . 21.0 mtpt -91.55 -56.42 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 75.32 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 20.5 t0 -50.74 -40.68 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 62.33 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 1.006 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.8 m -52.05 -35.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 54.44 109.269 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.786 ' CD1' HG23 ' A' ' 374' ' ' VAL . 21.1 m-30 -89.23 -31.07 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 74.42 111.069 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.21 -28.48 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 73.23 110.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.3 OUTLIER -113.7 -34.35 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 72.54 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 380' ' ' GLN . 6.5 m -131.69 67.59 79.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 72.33 110.413 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.0 1.33 7.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 54.5 111.015 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.476 ' HG2' HG22 ' A' ' 378' ' ' THR . 4.1 pt20 -72.9 -3.8 28.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 74.22 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.64 -4.55 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 64.53 110.975 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.91 170.19 32.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 44.23 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.42 142.75 31.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 70.02 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.38 11.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 64.44 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.54 -14.33 57.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.23 109.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.8 m -101.02 8.95 42.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.31 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.762 HD11 ' CE2' ' A' ' 375' ' ' TYR . 87.8 mt -115.35 -1.28 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 73.14 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.27 -47.86 2.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 63.3 110.342 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.94 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 74.02 111.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -99.45 -34.41 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 61.54 110.34 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 368' ' ' LEU . 20.8 mt -60.46 -60.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.31 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.01 -16.54 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 44.21 109.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.87 -34.52 24.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 53.33 110.292 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.539 ' OG1' HD11 ' A' ' 368' ' ' LEU . 16.0 m -77.11 -42.71 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.52 110.356 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.01 -44.15 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 74.04 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 16.2 m -74.16 -19.72 60.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 33.34 110.023 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.884 ' O ' HD12 ' A' ' 401' ' ' LEU . 35.5 m-20 -87.25 -16.04 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 73.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.851 HD11 ' HB3' ' A' ' 365' ' ' ARG . 20.0 mt -87.62 -44.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 61.41 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.836 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -68.37 -23.06 64.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.04 110.298 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.6 ptm180 -88.95 -37.85 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 73.11 110.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 397' ' ' ASN . 2.7 mt -67.96 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.21 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 358' ' ' LEU . 10.6 ptmt -48.07 -42.47 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.41 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.9 mm? -58.09 -47.92 81.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 65.11 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.714 ' HG3' HH21 ' A' ' 354' ' ' ARG . 60.3 mm-40 -60.91 -29.13 69.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 72.22 110.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.935 HG22 ' HB3' ' A' ' 354' ' ' ARG . 2.2 t -90.81 -4.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -98.65 -13.25 20.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 72.13 110.306 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -91.69 -41.21 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 63.5 109.285 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 20.1 m-85 -61.03 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 74.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.879 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.7 mt-10 -54.1 -19.96 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.53 110.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.55 -21.23 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 55.21 109.274 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.63 -40.34 63.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 72.41 107.996 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.697 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -39.84 -43.2 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 72.25 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.97 -39.63 29.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 30.34 109.347 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.2 mm-40 -63.84 -15.45 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.32 110.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.77 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 62.13 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.462 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 3.2 mt-10 -38.82 -46.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.22 110.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 27.4 t -43.22 -49.63 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.24 109.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -57.09 -37.01 71.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 65.04 110.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.725 HG11 ' HG3' ' A' ' 341' ' ' GLU . 40.3 t -66.46 -59.11 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 54.51 109.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 34.2 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 72.44 109.264 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.289 -0.263 . . . . 53.34 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.13 -4.37 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 71.05 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -89.18 -35.06 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 75.22 110.305 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.498 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.0 ptm180 -70.01 -6.09 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.31 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -77.2 -44.95 28.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.1 109.271 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -69.52 -34.89 74.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 65.34 110.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 411' ' ' TRP . 17.1 mt -52.13 -71.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 53.41 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.737 ' CG ' HD11 ' A' ' 412' ' ' LEU . 44.1 mt-30 -41.03 -46.52 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.13 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 351' ' ' LEU . 37.4 mt-30 -57.36 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.5 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -44.96 -25.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 62.42 110.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.812 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.7 tt -58.26 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 62.15 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.76 -46.41 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 71.23 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -57.86 -39.35 77.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.25 110.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.967 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.3 tpt180 -67.62 -27.74 67.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 71.03 110.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 35.8 t -94.62 -5.89 44.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.11 109.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -85.95 -28.13 24.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 71.45 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.824 ' OE2' HD21 ' A' ' 401' ' ' LEU . 0.5 OUTLIER -100.07 -18.04 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.23 110.326 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.972 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.3 tt -64.74 -60.49 3.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 74.42 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 53.8 tp60 -49.45 -26.14 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 65.34 110.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -66.7 -49.15 67.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 72.02 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.514 ' OE1' HD11 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -68.71 -42.05 78.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 70.41 110.329 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.826 HG23 HG12 ' A' ' 398' ' ' ILE . 2.3 t -72.93 -24.15 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 64.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.5 OUTLIER -65.98 -33.94 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.1 109.285 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.729 HE21 HD21 ' A' ' 368' ' ' LEU . 9.0 pt20 -104.03 -18.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 72.15 110.3 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.738 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.66 -44.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 72.3 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.72 -25.37 26.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.1 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -61.17 -40.95 95.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 51.54 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.729 HD21 HE21 ' A' ' 364' ' ' GLN . 5.0 mt -50.58 -54.35 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 63.21 109.325 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -49.54 -24.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 75.21 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 1.003 ' O ' HG13 ' A' ' 374' ' ' VAL . 18.6 mtmm -91.24 -31.06 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.31 109.366 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.599 ' O ' ' CE2' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -63.5 -10.39 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 73.22 111.013 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -94.36 -59.03 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.25 109.292 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.5 t70 -47.91 -34.07 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 70.11 109.331 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 1.003 HG13 ' O ' ' A' ' 370' ' ' LYS . 18.1 m -60.05 -39.58 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 62.41 109.287 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.68 ' CD1' HG23 ' A' ' 374' ' ' VAL . 17.5 m-85 -85.58 -19.89 30.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 70.54 110.981 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.9 -31.15 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 65.31 110.304 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -113.0 -34.4 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 52.31 109.285 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.824 HG22 ' HG2' ' A' ' 380' ' ' GLN . 33.9 m -126.61 86.12 59.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.22 110.396 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.58 8.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 62.2 111.046 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.824 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.1 pt20 -79.0 2.41 20.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 71.34 110.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 9.9 mtm -103.17 -47.87 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 74.3 111.022 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.654 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -176.19 -157.68 17.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 75.12 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.503 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 33.2 m-20 -122.0 141.3 33.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.2 Cg_endo -75.01 -27.58 9.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 73.11 110.992 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -73.79 -4.58 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.34 109.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 27.0 t -97.78 7.18 46.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.5 109.992 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 391' ' ' ILE . 1.4 mt -115.9 -0.34 12.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 70.42 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.6 OUTLIER -74.05 -45.93 6.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.23 110.318 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.56 21.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 71.12 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.404 ' HG2' HD13 ' A' ' 368' ' ' LEU . 16.8 tt0 -99.49 -33.28 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 75.23 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 387' ' ' LEU . 11.2 mt -64.78 -59.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 41.14 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.09 -17.02 22.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 65.35 109.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.66 -35.25 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 64.11 110.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.492 HG21 ' HA ' ' A' ' 365' ' ' ARG . 2.4 m -70.28 -42.92 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.31 110.391 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 395' ' ' LEU . 4.0 mm? -61.41 -54.61 41.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 73.01 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . 0.416 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 1.1 m -64.44 -19.44 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 72.24 109.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.835 ' O ' HD12 ' A' ' 401' ' ' LEU . 68.7 m-20 -91.84 -12.21 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 62.51 109.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.826 HG12 HG23 ' A' ' 362' ' ' VAL . 15.7 mt -93.7 -34.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 71.03 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.3 OUTLIER -79.73 -23.15 42.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 75.14 110.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.5 ptm180 -91.45 -7.14 51.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 75.45 110.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.996 ' O ' HG23 ' A' ' 405' ' ' VAL . 9.2 mt -96.65 -61.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 55.3 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.498 ' HB3' HD11 ' A' ' 358' ' ' LEU . 7.8 ptmm? -53.64 -52.85 58.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 74.13 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.32 -51.41 11.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 65.42 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.726 ' HG3' HH21 ' A' ' 354' ' ' ARG . 72.5 mm-40 -61.83 -32.51 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.21 110.33 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 401' ' ' LEU . 11.2 t -77.69 -5.1 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 63.24 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.26 -58.0 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 62.25 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.84 -44.95 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 74.44 109.287 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 12.5 m-85 -60.7 -60.51 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.3 110.983 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.812 ' CG ' HD11 ' A' ' 351' ' ' LEU . 6.8 mt-10 -54.1 -19.22 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 54.41 110.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.5 -20.96 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 62.41 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -74.72 -40.9 61.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 73.04 108.037 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.737 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.0 mm? -39.43 -42.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.3 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.76 -40.97 24.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.21 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.446 ' O ' ' NE ' ' A' ' 418' ' ' ARG . 0.8 OUTLIER -62.22 -15.85 49.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.22 110.339 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.88 -65.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 72.24 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.498 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.5 mt-10 -40.28 -49.72 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 74.45 110.349 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.9 t -39.21 -51.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.51 110.015 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 2.9 mpt_? -71.49 -47.75 53.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.42 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 57.8 t -40.68 -66.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 71.01 109.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 75.52 109.295 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.322 -0.251 . . . . 73.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -98.05 -23.3 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 34.2 110.298 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -57.9 -33.97 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 75.5 110.312 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.495 ' NH2' ' NE2' ' A' ' 348' ' ' GLN . 6.7 ptm180 -86.74 -6.11 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 75.12 110.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.493 ' NZ ' ' NE2' ' A' ' 349' ' ' GLN . 4.0 tptt -82.71 -23.12 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.14 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -86.8 -35.93 18.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 71.4 110.297 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.559 HD13 ' HB2' ' A' ' 411' ' ' TRP . 35.6 mt -55.08 -58.93 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 64.33 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.634 ' CG ' HD11 ' A' ' 412' ' ' LEU . 77.6 mt-30 -38.93 -61.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 75.32 110.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.493 ' NE2' ' NZ ' ' A' ' 345' ' ' LYS . 2.4 mp0 -53.72 -61.51 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 54.25 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.95 -20.76 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.325 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 1.041 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -70.49 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 63.23 109.328 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -52.95 -20.25 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 74.21 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 356' ' ' ARG . 5.1 mm-40 -78.26 -69.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 65.04 110.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.786 ' HB3' HG23 ' A' ' 405' ' ' VAL . 8.6 mmt-85 -44.79 -26.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.42 110.25 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.434 ' HA ' HG21 ' A' ' 405' ' ' VAL . 1.8 p -85.13 -39.93 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 44.33 109.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 353' ' ' GLU . 13.3 mtp180 -61.26 -41.03 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.11 110.284 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.928 ' OE1' HD21 ' A' ' 401' ' ' LEU . 2.9 pt-20 -82.33 1.92 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 71.42 110.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.747 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.8 OUTLIER -86.97 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.03 109.277 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 56.2 tp60 -51.13 -21.55 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 71.15 110.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -65.21 -55.98 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.45 109.308 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -68.28 -33.32 74.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 71.32 110.319 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.749 HG23 HG12 ' A' ' 398' ' ' ILE . 2.6 t -78.67 -18.07 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.22 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -79.71 -28.69 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 62.31 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.545 HE21 HD21 ' A' ' 368' ' ' LEU . 8.3 pt20 -103.23 -22.58 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.44 110.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.534 ' HA ' HG21 ' A' ' 394' ' ' THR . 0.5 OUTLIER -39.01 -62.92 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 71.21 110.275 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.68 -21.53 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 75.15 110.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -67.62 -35.11 78.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.34 109.348 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.545 HD21 HE21 ' A' ' 364' ' ' GLN . 17.0 mt -50.67 -44.05 57.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 60.1 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -54.27 -38.9 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.51 109.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.958 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.1 OUTLIER -70.05 -36.31 74.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 55.22 109.259 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.606 ' O ' HG22 ' A' ' 374' ' ' VAL . 56.6 mmm -63.33 -10.79 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 61.32 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.545 ' NZ ' ' CD1' ' A' ' 391' ' ' ILE . 14.6 mtpt -89.9 -55.33 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 75.03 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.34 -41.38 60.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 71.25 109.306 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.958 HG13 ' O ' ' A' ' 370' ' ' LYS . 6.1 m -51.42 -34.3 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.2 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.832 ' CD1' HG23 ' A' ' 374' ' ' VAL . 18.6 m-30 -91.28 -24.94 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 74.43 111.016 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.48 -27.72 68.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 72.42 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.9 -36.4 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 71.14 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.676 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.5 m -125.98 85.78 58.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 72.32 110.448 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.471 1.774 . . . . 70.44 110.987 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.676 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.6 pt20 -81.41 1.2 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 61.23 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.442 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 7.0 mtt -94.9 -48.99 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 73.32 111.013 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.87 -151.27 7.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.16 . . . . 63.11 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.99 134.0 25.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 73.54 109.335 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.55 9.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.789 . . . . 71.12 110.985 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.35 -18.92 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 73.31 109.295 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 8.1 t -92.22 7.25 43.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 60.55 110.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 375' ' ' TYR . 94.5 mt -108.71 -12.73 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 75.34 109.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -69.87 -46.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 64.34 110.271 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.792 . . . . 72.25 110.988 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -99.57 -36.56 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 52.05 110.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.545 ' CD1' ' NZ ' ' A' ' 372' ' ' LYS . 20.9 mt -65.53 -58.71 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 74.04 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.56 -15.84 31.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 51.22 109.35 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -83.18 -33.86 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 71.53 110.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 365' ' ' ARG . 3.1 m -66.28 -47.56 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 65.34 110.422 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 395' ' ' LEU . 2.5 mm? -57.51 -55.46 34.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.21 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -28.04 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 52.1 110.037 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.602 ' O ' HD12 ' A' ' 401' ' ' LEU . 92.9 m-20 -86.12 -13.95 45.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.54 109.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.749 HG12 HG23 ' A' ' 362' ' ' VAL . 18.2 mt -88.16 -37.99 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 75.44 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.5 OUTLIER -76.45 -20.51 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 62.12 110.304 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.7 ptm180 -90.37 -8.05 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 64.02 110.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.928 HD21 ' OE1' ' A' ' 357' ' ' GLU . 7.7 mt -96.8 -63.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 55.43 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 358' ' ' LEU . 8.3 ptmt -51.7 -42.95 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.1 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.6 OUTLIER -51.91 -49.66 62.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 64.31 109.304 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.6 mm-40 -66.35 -30.66 71.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 63.11 110.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.786 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.4 t -77.03 -5.17 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 72.11 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -99.17 -58.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 71.25 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -42.67 -45.42 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 35.35 109.29 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.62 ' O ' HD23 ' A' ' 412' ' ' LEU . 8.4 m-85 -61.54 -57.18 13.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 74.43 111.002 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 1.041 ' CG ' HD11 ' A' ' 351' ' ' LEU . 7.1 mt-10 -54.72 -20.97 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.03 110.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.45 -20.24 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 70.04 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.64 -39.89 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.966 -1.124 . . . . 72.11 107.966 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -40.06 -42.76 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 75.31 109.309 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -39.41 28.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 62.21 109.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -63.99 -15.68 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.13 110.29 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.87 -61.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 64.24 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.469 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 27.6 mt-10 -38.68 -41.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 72.33 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -51.63 26.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 74.43 109.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -54.76 -33.07 60.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 74.41 110.25 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 54.9 t -73.38 -67.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 63.41 109.296 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 55.41 109.283 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 71.04 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -28.27 13.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.14 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -61.48 -61.63 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.13 110.244 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.899 HH21 ' C ' ' A' ' 415' ' ' ALA . 2.2 ptp85 -62.96 -16.2 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 73.54 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -30.56 64.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 74.35 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 347' ' ' LEU . 6.0 mtt85 -73.81 -48.24 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.04 110.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.639 HD22 ' CD1' ' A' ' 408' ' ' TYR . 18.5 mt -40.2 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.54 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.788 ' HG2' HD11 ' A' ' 412' ' ' LEU . 26.5 mt-30 -38.48 -58.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.52 110.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -50.93 -67.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 72.33 110.296 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -51.23 -21.24 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 73.2 110.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.746 HD23 ' CB ' ' A' ' 408' ' ' TYR . 0.6 OUTLIER -72.91 -42.87 63.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 74.3 109.254 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -67.26 -15.85 63.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.44 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 356' ' ' ARG . 13.2 mt-10 -84.98 -60.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.24 110.346 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.644 ' CB ' HG22 ' A' ' 405' ' ' VAL . 36.8 mmt-85 -40.16 -42.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.53 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.0 t -68.95 -43.16 75.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 74.11 110.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 353' ' ' GLU . 5.5 mmm180 -54.13 -37.87 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 64.1 110.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 2.0 mm-40 -85.19 -34.78 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 71.44 110.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.813 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -62.3 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 63.35 109.301 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 4.2 tp60 -38.79 -32.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.13 110.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . 0.459 ' NZ ' ' CB ' ' A' ' 360' ' ' LYS . 6.1 mtpm? -70.63 -52.96 17.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 73.42 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 358' ' ' LEU . 7.5 mm-40 -58.05 -46.71 84.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.21 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 398' ' ' ILE . 2.2 t -70.48 -34.81 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 74.12 109.283 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.9 OUTLIER -58.42 -37.94 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 61.44 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.713 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 5.4 pt20 -93.71 -23.85 18.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 71.25 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.763 ' HB2' HD11 ' A' ' 398' ' ' ILE . 1.0 OUTLIER -40.61 -47.48 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 72.21 110.3 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -86.31 -22.94 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.33 110.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -72.75 -19.87 61.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 72.41 109.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.627 HD13 ' HG3' ' A' ' 390' ' ' GLN . 9.6 mt -58.92 -58.35 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.1 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . 0.442 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 4.6 mtmp? -48.33 -36.4 14.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 72.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.976 ' O ' HG13 ' A' ' 374' ' ' VAL . 11.2 mtpp -68.06 -38.61 82.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 70.51 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.533 ' O ' HG22 ' A' ' 374' ' ' VAL . 60.8 mmm -65.45 -9.11 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.22 111.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.639 ' HD2' HD11 ' A' ' 391' ' ' ILE . 3.9 mtpm? -91.93 -57.79 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.51 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.32 -40.42 35.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.33 109.351 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.976 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.7 m -53.42 -36.57 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 74.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.779 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.1 m-30 -87.11 -30.54 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 73.33 111.031 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.9 -28.17 63.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 71.22 110.315 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 -34.81 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 62.31 109.335 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.6 m -132.47 69.29 79.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 73.32 110.419 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.2 Cg_endo -75.04 1.07 8.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 54.5 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.47 ' HG2' HG22 ' A' ' 378' ' ' THR . 8.3 pt20 -72.4 -3.96 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 64.2 110.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.25 -4.21 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 75.11 110.981 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 179.57 41.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 53.53 111.005 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.25 143.05 47.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 73.21 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 52.52 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.68 -13.03 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 61.33 109.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 96.2 p -101.04 8.96 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.11 110.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 375' ' ' TYR . 15.6 mt -116.86 -1.7 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 75.11 109.242 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 5.7 mm-40 -78.66 -43.69 1.93 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 65.02 110.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.0 -20.39 16.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 54.52 111.007 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.668 HE22 HD22 ' A' ' 387' ' ' LEU . 7.4 pt20 -89.45 -34.4 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.03 110.316 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 387' ' ' LEU . 12.3 mt -60.17 -57.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 74.14 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.88 47.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 42.53 109.289 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 7.3 tt0 -86.88 -32.7 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.33 110.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.3 m -70.61 -33.69 71.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 75.44 110.378 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 395' ' ' LEU . 3.8 mm? -66.67 -60.94 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.03 109.335 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . 0.455 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 0.2 OUTLIER -59.29 -25.93 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.51 110.022 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.824 ' O ' HD12 ' A' ' 401' ' ' LEU . 81.6 m-20 -83.89 -17.66 40.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.42 109.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.763 HD11 ' HB2' ' A' ' 365' ' ' ARG . 9.3 mt -86.81 -46.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.14 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.455 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.5 OUTLIER -67.1 -35.62 80.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 74.25 110.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.3 ptm180 -72.19 -9.71 58.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.32 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 397' ' ' ASN . 2.8 mt -96.8 -65.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 74.33 109.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.459 ' HG3' HD23 ' A' ' 403' ' ' LEU . 13.0 ptpt -45.77 -54.38 8.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 71.11 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 402' ' ' LYS . 1.0 OUTLIER -43.0 -51.06 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.11 109.275 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 54.1 mm-40 -64.37 -33.33 75.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.23 110.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 401' ' ' LEU . 38.1 t -74.48 -5.9 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.53 109.313 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . 0.412 ' CD ' ' O ' ' A' ' 402' ' ' LYS . 0.8 OUTLIER -99.17 -57.92 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 72.41 110.319 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.6 OUTLIER -45.53 -44.41 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 65.11 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.746 ' CB ' HD23 ' A' ' 351' ' ' LEU . 5.6 m-85 -63.21 -59.05 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.13 111.018 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -53.48 -19.83 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 53.21 110.271 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.46 -24.9 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.42 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -69.3 -40.27 77.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.973 -1.121 . . . . 62.35 107.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.788 HD11 ' HG2' ' A' ' 348' ' ' GLN . 2.9 mm? -40.43 -42.79 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 64.41 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.53 -38.43 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 64.51 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 63.21 110.265 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.899 ' C ' HH21 ' A' ' 344' ' ' ARG . . . -104.7 -58.2 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 63.2 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.568 ' N ' HH21 ' A' ' 344' ' ' ARG . 15.7 mt-10 -43.29 -27.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.33 110.284 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 415' ' ' ALA . 6.4 t -52.72 -46.86 67.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.45 109.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -56.0 -44.94 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 73.31 110.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.49 ' CG2' ' NH1' ' A' ' 344' ' ' ARG . 14.9 t -58.6 -68.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 63.13 109.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 64.4 109.305 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.297 -0.26 . . . . 74.11 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.86 -5.32 34.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 45.23 110.301 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -89.84 -37.26 14.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 70.53 110.311 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.78 -19.2 57.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 73.23 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.65 81.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 73.11 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 347' ' ' LEU . 20.8 mtp85 -59.15 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 72.15 110.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.646 HD13 ' CB ' ' A' ' 411' ' ' TRP . 8.1 mt -40.3 -62.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 63.21 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.571 ' CG ' HD11 ' A' ' 412' ' ' LEU . 27.7 mt-30 -54.52 -43.24 71.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 52.02 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 351' ' ' LEU . 11.0 mt-30 -61.7 -76.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.45 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 346' ' ' ARG . 38.8 mm-40 -45.3 -25.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 74.32 110.3 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.625 HD12 HG13 ' A' ' 405' ' ' VAL . 17.7 tp -66.84 -48.9 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 73.35 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 7.0 tt0 -66.2 -16.23 63.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 70.35 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -92.27 -35.47 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.23 110.318 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.831 ' HB3' HG22 ' A' ' 405' ' ' VAL . 4.9 tpt180 -73.83 -45.55 50.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.34 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.4 p -70.57 -6.48 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 72.53 109.971 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 2.0 mmm180 -88.02 -56.17 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 65.33 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.549 ' CD ' HD21 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -71.43 -5.86 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 72.2 110.263 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.875 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -90.39 -40.12 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 75.51 109.295 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.477 ' N ' HD13 ' A' ' 358' ' ' LEU . 39.7 tp60 -63.96 -13.89 49.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 52.03 110.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -93.15 -10.68 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 64.32 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.473 ' OE1' HG23 ' A' ' 394' ' ' THR . 75.3 mm-40 -103.45 -40.84 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.44 110.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.57 HG23 HG12 ' A' ' 398' ' ' ILE . 2.5 t -76.77 -34.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 51.14 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 5.5 t70 -61.08 -30.59 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 63.32 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.566 HE21 HD21 ' A' ' 368' ' ' LEU . 5.7 pt20 -104.69 -21.79 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 35.5 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.79 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.6 OUTLIER -37.6 -49.55 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 71.22 110.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -33.46 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 71.24 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -53.05 -45.69 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.01 109.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.73 HD13 ' HG2' ' A' ' 390' ' ' GLN . 3.6 mt -48.59 -65.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 61.2 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -51.38 -22.31 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 51.24 109.332 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -33.44 29.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 61.4 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.578 ' HB2' HD13 ' A' ' 387' ' ' LEU . 68.3 mmm -70.19 -7.02 38.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 41.11 111.031 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 391' ' ' ILE . 16.0 mttt -86.82 -59.09 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.45 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -48.85 -47.35 42.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.31 109.313 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.591 HG23 ' CD1' ' A' ' 375' ' ' TYR . 19.3 m -55.34 -38.46 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 73.34 109.249 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.591 ' CD1' HG23 ' A' ' 374' ' ' VAL . 12.6 m-30 -84.63 -15.59 44.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 72.01 111.012 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.3 mm-40 -76.47 -33.83 58.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 64.11 110.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -38.13 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 61.02 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.721 HG22 ' HG2' ' A' ' 380' ' ' GLN . 7.4 m -119.76 82.49 27.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 74.31 110.384 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 53.12 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.721 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.2 pt20 -78.25 -0.33 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 73.15 110.247 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.506 ' HE3' ' HB ' ' A' ' 378' ' ' THR . 9.7 mtt -95.83 -49.22 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 30.45 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -172.39 -163.1 25.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 74.32 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.88 132.6 22.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.77 . . . . 74.13 109.308 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.54 11.82 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 73.25 110.975 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.11 -14.12 59.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.04 109.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 t -96.49 6.09 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 75.12 110.019 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.578 HD13 ' HB2' ' A' ' 371' ' ' MET . 21.1 mt -108.14 -6.71 16.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 74.15 109.256 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.8 mt-10 -75.73 -47.14 4.04 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 60.21 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.99 -7.53 19.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 73.41 111.062 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.73 ' HG2' HD13 ' A' ' 368' ' ' LEU . 13.3 tt0 -99.03 -34.77 10.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.24 110.282 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.657 HD11 ' HD2' ' A' ' 372' ' ' LYS . 27.9 mt -66.44 -58.41 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 75.4 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.74 -16.57 28.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 74.34 109.313 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.406 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 14.4 tt0 -83.89 -34.72 24.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.41 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 398' ' ' ILE . 7.2 m -85.64 -24.7 26.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 72.43 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 395' ' ' LEU . 3.9 mm? -76.04 -55.84 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.03 109.263 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 1.7 t -64.66 -16.96 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 32.15 109.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 55.7 m-20 -90.51 -17.61 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.24 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.79 HD11 ' HB2' ' A' ' 365' ' ' ARG . 9.3 mt -84.6 -44.2 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 63.44 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.97 -22.07 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 73.11 110.338 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptm180 -95.36 -8.78 34.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.45 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.875 HD13 ' HA ' ' A' ' 358' ' ' LEU . 2.4 mt -96.78 -75.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.35 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.48 ' HG3' HD22 ' A' ' 403' ' ' LEU . 12.3 ptmm? -40.37 -49.51 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 42.11 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 402' ' ' LYS . 2.7 mm? -46.97 -53.71 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 42.14 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.654 ' HG3' HH21 ' A' ' 354' ' ' ARG . 53.0 mm-40 -64.5 -30.85 71.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 75.25 110.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 354' ' ' ARG . 12.1 t -77.51 -5.57 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 62.25 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -99.01 -58.04 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 74.13 110.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 6.4 ptpt -42.23 -43.66 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 73.32 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.5 m-85 -61.85 -58.82 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 73.43 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -52.68 -21.02 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 65.24 110.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.41 -22.15 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 71.55 109.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.646 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.5 m0 -72.55 -38.85 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 63.03 108.012 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.4 mm? -40.12 -44.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.02 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.81 35.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 61.23 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.87 -15.14 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 72.12 110.304 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -63.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.4 109.329 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 419' ' ' VAL . 78.6 mt-10 -41.79 -37.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 40.03 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 t -40.01 -46.72 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 73.13 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -58.67 -46.79 86.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 75.13 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 416' ' ' GLU . 23.3 t -55.17 -67.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 75.11 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 72.44 109.258 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . 0.438 ' HB2' HG13 ' A' ' 419' ' ' VAL . 11.2 tm-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.276 -0.268 . . . . 73.33 110.276 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.432 ' NE2' ' NH1' ' A' ' 346' ' ' ARG . 0.0 OUTLIER -93.98 -5.78 46.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.11 110.325 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -88.31 -34.4 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 71.42 110.284 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.506 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.9 ptm180 -65.14 -36.11 83.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.4 110.319 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 344' ' ' ARG . 4.5 ptpt -55.99 -32.66 64.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 75.04 109.299 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.432 ' NH1' ' NE2' ' A' ' 342' ' ' GLN . 3.0 mtp85 -68.96 -43.28 75.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 71.13 110.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.652 HD13 ' CB ' ' A' ' 411' ' ' TRP . 29.2 mt -58.61 -75.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 72.43 109.333 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.745 ' HG2' HD11 ' A' ' 412' ' ' LEU . 0.1 OUTLIER -40.04 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 72.25 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -66.58 -65.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 71.23 110.29 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -64.79 -11.51 37.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 72.3 110.309 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.1 tt -61.81 -61.68 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 71.33 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.3 tt0 -51.16 -21.71 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 42.3 110.261 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 38.1 mm-40 -74.86 -70.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.13 110.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.852 ' HB3' HG23 ' A' ' 405' ' ' VAL . 3.5 mmt-85 -39.85 -40.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 70.03 110.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 10.8 t -73.78 -43.36 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 45.21 109.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 14.0 mmt180 -54.89 -46.72 74.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.2 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.757 ' OE1' HD21 ' A' ' 401' ' ' LEU . 2.9 pt-20 -79.75 3.5 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.13 110.32 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.678 ' HA ' HD13 ' A' ' 401' ' ' LEU . 3.3 tt -85.89 -61.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 71.3 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -61.42 -13.85 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.4 110.273 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -84.98 -21.6 29.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 72.52 109.332 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.549 ' HG3' HD11 ' A' ' 401' ' ' LEU . 11.5 mm-40 -92.16 -40.57 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.51 110.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.572 ' CG2' HD13 ' A' ' 398' ' ' ILE . 2.4 t -73.1 -26.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 74.34 109.333 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.82 -28.27 64.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 60.12 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.556 ' NE2' HD21 ' A' ' 368' ' ' LEU . 4.5 pt20 -99.95 -24.04 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 65.32 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.557 ' HE ' HD21 ' A' ' 395' ' ' LEU . 1.5 mtp-105 -36.57 -66.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.35 110.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -66.3 -25.54 66.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 71.3 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -62.09 -38.64 89.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 74.53 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.755 HD13 ' HG2' ' A' ' 390' ' ' GLN . 8.1 mt -55.89 -44.87 78.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.33 109.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 369' ' ' LYS . 5.7 mtpp -62.85 -23.58 67.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 63.54 109.264 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.853 ' O ' HG13 ' A' ' 374' ' ' VAL . 19.6 mtpt -80.14 -35.34 36.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 62.2 109.291 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.62 ' O ' HG22 ' A' ' 374' ' ' VAL . 66.1 mmm -66.48 -8.72 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 74.03 110.997 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.474 ' HG3' HD13 ' A' ' 387' ' ' LEU . 6.4 mtpt -88.59 -55.74 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 53.42 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -50.5 -43.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 62.34 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.9 m -50.95 -33.72 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.34 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.847 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.6 m-30 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 75.21 110.988 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.3 -25.77 67.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 74.21 110.306 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 -36.69 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 61.14 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.864 HG22 ' HG2' ' A' ' 380' ' ' GLN . 11.4 m -129.46 88.27 50.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.41 110.388 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.13 9.28 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 75.43 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.864 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.7 pt20 -80.66 1.99 27.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 74.41 110.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.422 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 6.6 mtm -95.76 -48.13 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.02 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.536 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -174.35 -164.53 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 73.4 110.961 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.77 135.02 21.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 70.33 109.338 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.1 Cg_endo -75.02 -23.98 13.23 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.421 1.748 . . . . 73.14 111.016 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.84 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 60.32 109.28 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 1.8 t -97.11 3.47 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 35.54 109.954 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 384' ' ' PRO . 9.0 mt -108.52 -4.88 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 55.32 109.3 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -77.7 -47.67 2.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.51 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 62.53 110.971 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.755 ' HG2' HD13 ' A' ' 368' ' ' LEU . 4.0 tt0 -99.56 -35.1 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.14 110.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.648 ' HA ' HD12 ' A' ' 368' ' ' LEU . 24.7 mt -64.8 -69.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 71.32 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.08 -23.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 75.53 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -73.01 -40.14 65.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 74.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.3 m -75.02 -25.21 58.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.55 110.4 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.557 HD21 ' HE ' ' A' ' 365' ' ' ARG . 2.4 mm? -88.86 -27.64 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.14 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 15.6 t -87.97 -10.33 50.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 71.1 110.018 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -102.12 -45.46 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.13 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.709 ' HA ' HD12 ' A' ' 401' ' ' LEU . 12.4 mt -55.05 -37.96 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 74.23 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.57 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -64.44 -22.47 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.35 110.306 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -95.99 -26.83 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.2 110.266 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.757 HD21 ' OE1' ' A' ' 357' ' ' GLU . 19.0 mt -67.56 -52.35 39.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 72.15 109.299 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.539 ' HB3' HD11 ' A' ' 358' ' ' LEU . 2.6 ptmt -68.61 -41.98 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.52 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.7 OUTLIER -56.93 -53.98 51.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.23 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.601 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 50.9 mm-40 -62.21 -23.61 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 74.22 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.852 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.3 t -89.33 -5.31 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.41 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -99.2 -13.87 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 63.52 110.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -97.73 -42.0 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 73.43 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.2 m-85 -61.73 -60.04 4.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 72.53 111.05 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.893 ' CG ' HD11 ' A' ' 351' ' ' LEU . 9.7 mt-10 -54.11 -19.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.43 110.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -21.28 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 75.41 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.652 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.9 m0 -74.33 -41.29 61.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 74.41 107.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.745 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.2 mm? -38.96 -43.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 70.32 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.99 -41.15 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 65.13 109.236 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.4 mm-40 -62.3 -15.75 49.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 71.4 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.97 -63.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 53.24 109.309 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.506 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.4 mt-10 -38.9 -52.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 71.25 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 39.3 t -48.9 -48.97 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 72.41 110.01 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -60.17 -32.61 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 53.31 110.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 341' ' ' GLU . 46.4 t -69.44 -66.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 71.54 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 50.42 109.318 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.286 -0.265 . . . . 72.14 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.493 ' NE2' ' NZ ' ' A' ' 345' ' ' LYS . 0.0 OUTLIER -97.9 -31.95 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.23 110.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -58.17 -69.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 70.53 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.747 HH12 ' N ' ' A' ' 416' ' ' GLU . 5.5 ptp180 -43.58 -38.45 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 62.54 110.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.493 ' NZ ' ' NE2' ' A' ' 342' ' ' GLN . 1.6 ttpt -52.51 -49.65 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 74.24 109.308 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 347' ' ' LEU . 21.1 mtp85 -71.12 -43.89 66.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.11 110.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 344' ' ' ARG . 53.6 mt -39.19 -51.45 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.31 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.817 ' CG ' HD11 ' A' ' 412' ' ' LEU . 63.4 mt-30 -68.02 -43.62 78.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 71.41 110.337 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.83 -72.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 45.23 110.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 353' ' ' GLU . 38.2 mm-40 -45.51 -41.73 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 72.03 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.784 HD12 HG13 ' A' ' 405' ' ' VAL . 4.7 tp -45.08 -53.78 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 53.25 109.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 9.0 tt0 -59.3 -29.06 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 73.14 110.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 350' ' ' GLN . 45.6 mm-40 -71.31 -46.2 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 72.33 110.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.978 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.7 tpt180 -65.74 -40.65 92.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.34 110.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 3.1 t -78.18 0.61 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 73.33 109.971 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 1.2 mmm180 -97.49 -28.19 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 71.54 110.28 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.861 ' OE1' HD21 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -100.8 3.82 42.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 71.01 110.288 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 402' ' ' LYS . 3.9 tt -80.63 -73.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 52.33 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -43.51 -27.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 61.21 110.256 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -46.4 85.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.33 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 358' ' ' LEU . 24.3 mm-40 -66.1 -43.35 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 62.35 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.734 HG22 ' CZ ' ' A' ' 365' ' ' ARG . 2.4 t -71.72 -20.21 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 43.24 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -25.56 55.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 70.31 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.545 ' NE2' HD21 ' A' ' 368' ' ' LEU . 5.2 pt20 -103.2 -23.45 13.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.15 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.734 ' CZ ' HG22 ' A' ' 362' ' ' VAL . 2.9 mtm180 -37.86 -64.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 74.42 110.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.84 -21.99 64.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 74.2 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -65.92 -37.35 85.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.12 109.289 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.681 HD13 ' HG2' ' A' ' 390' ' ' GLN . 9.4 mt -55.4 -45.54 76.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 73.03 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -41.39 77.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 75.02 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.871 ' O ' HG13 ' A' ' 374' ' ' VAL . 24.2 mtmt -66.69 -37.48 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 64.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.629 ' O ' HG22 ' A' ' 374' ' ' VAL . 63.4 mmm -63.01 -11.21 17.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 61.22 111.018 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.615 ' CG ' HD12 ' A' ' 387' ' ' LEU . 15.3 mttt -87.31 -55.48 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 73.54 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.37 -43.74 54.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 72.14 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.871 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.0 m -52.06 -33.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 64.54 109.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.792 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.9 m-30 -90.92 -27.69 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 64.4 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.45 -24.16 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.11 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -38.05 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 70.45 109.342 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.449 ' O ' ' CG ' ' A' ' 381' ' ' MET . 90.6 m -130.88 70.41 82.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 65.51 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.12 8.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 72.1 111.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.91 -4.58 29.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 74.11 110.324 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.32 -5.26 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 73.4 110.966 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.45 175.51 38.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 73.4 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.432 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 34.4 m-20 -127.15 145.6 54.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 52.53 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -25.77 11.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.412 1.743 . . . . 54.24 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.77 -12.9 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 54.32 109.271 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 95.2 p -100.31 8.9 43.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 71.44 110.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 375' ' ' TYR . 18.6 mt -113.98 -2.31 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.22 109.306 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.2 mt-10 -77.73 -47.62 2.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 75.34 110.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.04 -6.27 17.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 35.42 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.681 ' HG2' HD13 ' A' ' 368' ' ' LEU . 7.1 tt0 -99.58 -32.79 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 64.54 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 368' ' ' LEU . 42.1 mt -69.13 -64.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 73.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.84 -21.32 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 74.21 109.348 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 27.0 tt0 -75.51 -39.02 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 62.42 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.3 m -76.7 -24.42 53.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 72.2 110.372 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.512 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 4.2 mm? -87.52 -26.44 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 74.33 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 32.8 t -92.63 -18.94 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 72.43 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 393' ' ' GLU . 88.0 m-20 -89.63 -53.32 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 72.21 109.254 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.672 HD13 HG23 ' A' ' 362' ' ' VAL . 30.9 mt -43.69 -28.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 63.32 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.4 OUTLIER -66.64 -51.88 51.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 62.33 110.284 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 22.5 mtt-85 -61.82 -35.5 78.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 72.31 110.269 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 1.02 ' O ' HG23 ' A' ' 405' ' ' VAL . 7.9 mt -60.64 -71.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 51.33 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -46.02 -59.46 2.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 65.13 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 402' ' ' LYS . 1.2 mm? -43.44 -52.74 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 74.21 109.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.749 ' HA ' ' HZ3' ' A' ' 407' ' ' LYS . 39.6 mm-40 -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.43 110.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 401' ' ' LEU . 9.5 t -77.6 -5.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 71.45 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -99.26 -58.03 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 63.52 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.749 ' HZ3' ' HA ' ' A' ' 404' ' ' GLU . 0.1 OUTLIER -41.65 -48.21 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.42 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.616 ' O ' HD23 ' A' ' 412' ' ' LEU . 18.9 m-85 -59.6 -60.13 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.13 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.419 ' CG ' ' CD2' ' A' ' 351' ' ' LEU . 6.3 mt-10 -54.44 -19.08 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 61.54 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.61 -21.23 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.15 109.325 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.3 m0 -75.39 -38.91 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 71.42 107.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.817 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -40.15 -40.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 70.34 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -83.5 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 65.34 109.334 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.9 mm-40 -57.02 -17.24 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 73.34 110.276 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.81 -56.02 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 71.01 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.747 ' N ' HH12 ' A' ' 344' ' ' ARG . 63.7 mt-10 -39.67 -44.91 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.11 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 m -58.35 -46.68 85.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 73.21 110.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 415' ' ' ALA . 32.5 mmm-85 -54.94 -39.77 69.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 63.53 110.279 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.687 HG23 ' NH2' ' A' ' 344' ' ' ARG . 19.5 t -69.05 -68.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.54 109.316 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 60.33 109.295 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 72.42 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.99 -33.57 11.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 71.52 110.307 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 346' ' ' ARG . 54.7 tt0 -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 71.04 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.493 ' NH2' HE22 ' A' ' 348' ' ' GLN . 7.3 ptm180 -77.99 -6.34 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 74.55 110.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -82.99 -52.37 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 54.43 109.288 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 343' ' ' GLN . 0.9 OUTLIER -49.78 -35.97 24.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 74.14 110.298 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 411' ' ' TRP . 19.4 mt -59.88 -68.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.2 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.775 ' CG ' HD11 ' A' ' 412' ' ' LEU . 52.2 mt-30 -38.78 -36.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -69.72 -58.61 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 52.41 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -65.13 -11.21 37.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.41 110.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.914 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.8 tt -73.4 -61.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 71.22 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.96 -16.43 30.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 54.3 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.3 mt-10 -80.62 -56.44 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.32 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.695 HH21 ' HG3' ' A' ' 404' ' ' GLU . 3.5 mmt-85 -44.67 -35.17 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 74.24 110.353 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 1.8 t -77.74 -36.3 50.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 71.52 110.054 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' GLU . 31.7 mtt180 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 72.51 110.305 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.6 -39.77 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 72.3 110.309 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.5 OUTLIER -59.33 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 64.01 109.282 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 38.7 tp60 -39.35 -29.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 63.43 110.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 358' ' ' LEU . 11.1 mmmt -72.28 -53.16 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 71.24 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 358' ' ' LEU . 73.3 mm-40 -58.91 -43.16 91.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 74.11 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.831 HG23 HG12 ' A' ' 398' ' ' ILE . 2.6 t -75.3 -22.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 70.15 109.278 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -73.22 -40.58 64.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 40.31 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.613 HE21 HD21 ' A' ' 368' ' ' LEU . 7.9 pt20 -87.09 -28.54 22.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 65.23 110.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.661 ' HE ' HD21 ' A' ' 395' ' ' LEU . 1.6 tmt_? -37.45 -64.69 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 74.54 110.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.79 -30.56 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.32 110.279 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -63.76 -34.3 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 53.03 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.613 HD21 HE21 ' A' ' 364' ' ' GLN . 21.3 mt -50.57 -41.8 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 74.43 109.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -53.27 -33.8 54.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 60.11 109.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.927 ' O ' HG13 ' A' ' 374' ' ' VAL . 1.8 ptpt -70.47 -44.81 66.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 65.13 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.755 ' O ' HG22 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -48.4 -22.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.11 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.417 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 7.4 mtpt -84.68 -53.67 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.3 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -52.32 -42.19 63.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 53.23 109.274 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 370' ' ' LYS . 3.1 m -52.34 -30.85 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 72.33 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.914 ' CE2' HD11 ' A' ' 387' ' ' LEU . 18.9 m-30 -94.63 -24.35 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.43 111.017 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.74 -27.26 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 63.44 110.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -38.35 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 63.21 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.745 HG22 ' HG2' ' A' ' 380' ' ' GLN . 32.2 m -126.11 87.81 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 61.34 110.413 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 62.13 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.745 ' HG2' HG22 ' A' ' 378' ' ' THR . 4.6 pt20 -82.19 -16.71 48.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 63.43 110.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.446 ' HE3' ' HB ' ' A' ' 378' ' ' THR . 4.9 mtt -70.14 -56.08 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 75.43 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -161.87 -141.35 3.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 60.32 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.23 136.95 19.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 73.01 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.29 19.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 72.31 111.002 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -76.31 -10.61 59.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 71.14 109.278 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.4 t -101.24 7.15 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 73.14 109.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.914 HD11 ' CE2' ' A' ' 375' ' ' TYR . 11.0 mt -110.52 -2.98 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 65.23 109.36 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.573 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -75.52 -47.1 4.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 72.4 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.01 -7.48 19.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 70.45 110.99 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.57 -37.13 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 75.11 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 368' ' ' LEU . 36.0 mt -64.84 -68.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 54.33 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.46 -21.66 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 64.23 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 28.8 tt0 -74.69 -39.08 62.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 62.41 110.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.648 ' O ' HD12 ' A' ' 398' ' ' ILE . 20.2 m -69.59 -38.35 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.41 110.373 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.661 HD21 ' HE ' ' A' ' 365' ' ' ARG . 4.3 mm? -67.78 -45.14 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 72.03 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 74.9 m -69.29 -23.15 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 51.44 109.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.925 ' O ' HD12 ' A' ' 401' ' ' LEU . 98.4 m-20 -90.41 -10.67 42.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 74.35 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.831 HG12 HG23 ' A' ' 362' ' ' VAL . 12.0 mt -92.02 -29.25 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 70.24 109.293 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -85.92 -19.24 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.1 110.292 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.8 ptm180 -95.88 -13.2 24.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 64.45 110.333 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 397' ' ' ASN . 1.2 mt -90.64 -65.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 64.52 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.532 ' O ' HG12 ' A' ' 405' ' ' VAL . 6.4 ptmm? -50.78 -45.08 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 64.45 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -47.66 -38.97 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.44 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.695 ' HG3' HH21 ' A' ' 354' ' ' ARG . 53.0 mm-40 -76.18 -27.16 56.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 75.52 110.261 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.6 HG22 HD23 ' A' ' 351' ' ' LEU . 0.4 OUTLIER -78.42 -4.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 74.14 109.264 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.27 -58.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 70.42 110.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 5.0 ptpt -40.86 -44.35 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 62.44 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.591 ' O ' HD23 ' A' ' 412' ' ' LEU . 10.6 m-85 -61.67 -59.92 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 75.21 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.914 ' CG ' HD11 ' A' ' 351' ' ' LEU . 20.2 mt-10 -52.99 -20.02 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 70.14 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.4 -22.61 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.44 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -72.37 -39.9 67.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 70.23 108.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.775 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.1 mm? -39.6 -44.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 72.41 109.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.54 -41.33 27.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 74.32 109.309 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -61.87 -15.52 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 71.34 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.78 -65.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 72.31 109.319 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 419' ' ' VAL . 50.4 mt-10 -39.76 -41.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.4 110.348 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 13.4 t -42.05 -49.65 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 70.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -55.67 -40.24 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 73.03 110.313 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 416' ' ' GLU . 70.0 t -64.86 -53.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 73.04 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 74.53 109.28 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.298 -0.26 . . . . 75.42 110.298 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -93.51 -32.95 13.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 64.24 110.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -49.97 -60.52 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 72.41 110.346 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.803 ' NH2' HG21 ' A' ' 419' ' ' VAL . 7.6 ptp180 -48.92 -39.1 24.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.42 110.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 17.3 ttmt -62.38 -47.68 83.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 73.02 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 347' ' ' LEU . 17.6 mmm180 -53.96 -53.7 49.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 75.11 110.232 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.553 HD13 ' CB ' ' A' ' 411' ' ' TRP . 5.0 mt -40.05 -65.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 74.25 109.353 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.551 ' CG ' HD11 ' A' ' 412' ' ' LEU . 26.3 mt-30 -39.51 -53.09 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 72.12 110.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -49.51 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 72.5 110.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -66.23 -9.72 34.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 70.54 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.778 HD21 ' CG ' ' A' ' 409' ' ' GLU . 1.9 tt -69.97 -46.91 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 43.14 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.59 -26.67 55.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 64.31 110.277 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.33 -48.29 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 75.44 110.278 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.879 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.7 tpt180 -64.33 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 72.01 110.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.46 ' HB2' HG11 ' A' ' 405' ' ' VAL . 4.6 t -72.35 -24.12 61.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 72.45 109.932 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -69.47 -65.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.4 110.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.857 ' OE1' HD21 ' A' ' 401' ' ' LEU . 3.1 pt-20 -55.62 -19.72 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 54.33 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.772 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -65.09 -73.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 74.53 109.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.9 tp60 -45.75 -25.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 60.13 110.322 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -65.86 -54.91 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 74.54 109.352 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.64 -34.11 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 73.23 110.25 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.786 HG23 HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.71 -21.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 65.54 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 1.1 t70 -74.97 -25.31 58.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.42 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.57 ' HG3' HD21 ' A' ' 368' ' ' LEU . 8.6 pt20 -104.92 -27.62 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.52 110.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.788 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -43.5 -37.03 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 75.31 110.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.6 pt-20 -80.35 -31.89 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 71.12 110.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -66.14 -37.44 85.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 63.03 109.329 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.918 HD22 ' NE2' ' A' ' 390' ' ' GLN . 6.1 mt -44.54 -47.82 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 63.02 109.307 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -34.45 78.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.44 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 367' ' ' ALA . 25.6 mtmm -72.88 -21.54 60.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 73.02 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.448 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 67.0 mmm -79.29 -6.44 56.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.25 111.001 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 376' ' ' GLU . 0.1 OUTLIER -91.05 -56.35 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.43 109.277 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -52.2 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 75.42 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 375' ' ' TYR . 22.2 m -56.49 -38.82 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.11 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.596 ' CD1' HG23 ' A' ' 374' ' ' VAL . 14.1 m-30 -84.92 -16.36 41.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.41 110.995 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 372' ' ' LYS . 4.9 mt-10 -75.29 -34.49 61.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 71.11 110.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 -38.18 5.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.2 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.2 m -119.46 82.27 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.31 110.385 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 64.42 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.64 ' HG2' HG22 ' A' ' 378' ' ' THR . 3.9 pt20 -78.83 2.01 21.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 75.31 110.254 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.508 ' HE3' ' HB ' ' A' ' 374' ' ' VAL . 4.7 mtm -100.42 -48.77 4.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 70.05 110.99 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . -171.05 -165.45 28.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 61.51 110.959 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.85 143.18 36.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 62.44 109.284 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 387' ' ' LEU . 18.4 Cg_endo -74.93 -24.35 13.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 62.34 111.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.91 -11.79 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.41 109.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 7.21 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.31 110.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.535 HD11 ' CD2' ' A' ' 375' ' ' TYR . 7.1 mt -112.3 -1.9 14.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 73.23 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.548 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -78.17 -48.3 2.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.42 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.65 21.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 70.11 110.998 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.918 ' NE2' HD22 ' A' ' 368' ' ' LEU . 0.4 OUTLIER -95.46 -40.05 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 75.41 110.262 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 30.2 mt -61.54 -67.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 63.24 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.84 -21.34 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 55.32 109.252 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.06 -37.75 53.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 52.51 110.281 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.597 HG22 HD11 ' A' ' 398' ' ' ILE . 11.7 m -71.19 -46.61 60.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 65.42 110.417 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.15 -54.4 45.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 71.2 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 2.0 t -63.68 -19.69 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.15 109.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.755 ' O ' HD12 ' A' ' 401' ' ' LEU . 74.8 m-20 -91.94 -16.36 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 63.25 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.788 HD11 ' HB3' ' A' ' 365' ' ' ARG . 28.7 mt -88.64 -43.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 73.33 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.782 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -70.79 -23.09 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 54.33 110.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.7 ptm180 -86.11 -29.07 23.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 65.33 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.857 HD21 ' OE1' ' A' ' 357' ' ' GLU . 13.2 mt -73.86 -73.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 72.55 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.468 ' HB3' HD11 ' A' ' 358' ' ' LEU . 9.0 ptmt -40.52 -40.96 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 72.13 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.2 mm? -56.93 -51.67 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 30.43 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.672 ' HG3' HH21 ' A' ' 354' ' ' ARG . 57.3 mm-40 -60.9 -26.83 67.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 62.13 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.879 HG22 ' HB3' ' A' ' 354' ' ' ARG . 2.2 t -91.44 -4.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 75.03 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 402' ' ' LYS . 47.0 mt-30 -98.7 -12.17 21.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 70.15 110.303 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.7 OUTLIER -93.65 -41.2 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.14 109.279 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.3 m-85 -61.69 -60.03 4.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 72.31 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.778 ' CG ' HD21 ' A' ' 351' ' ' LEU . 7.1 mm-40 -54.37 -19.15 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.43 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.56 -21.37 16.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 61.32 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.46 -43.45 60.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 74.13 108.006 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.551 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.3 mm? -39.08 -41.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 52.2 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.3 -41.85 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 63.31 109.281 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -62.59 -14.67 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 74.21 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.79 -67.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.44 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -42.74 -34.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 75.24 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 36.0 t -61.23 -63.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.52 110.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.29 -26.67 52.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 71.22 110.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.803 HG21 ' NH2' ' A' ' 344' ' ' ARG . 38.3 t -67.57 -75.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 72.11 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 74.44 109.315 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.303 -0.258 . . . . 70.15 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 345' ' ' LYS . 2.1 mt-30 -89.59 -34.86 16.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 63.23 110.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -42.59 -40.05 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 71.54 110.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.5 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.2 ptm180 -65.91 -42.49 90.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 55.31 110.306 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 8.7 ttmt -64.69 -30.21 71.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.31 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.413 ' O ' ' OE1' ' A' ' 350' ' ' GLN . 20.0 mmm180 -62.01 -32.09 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.01 110.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.56 HD22 ' HE3' ' A' ' 411' ' ' TRP . 10.5 mt -77.65 -49.03 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 75.15 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.665 ' HG2' HD11 ' A' ' 412' ' ' LEU . 57.2 mt-30 -37.17 -38.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 72.25 110.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 345' ' ' LYS . 1.8 mp0 -70.04 -66.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 73.21 110.282 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . 0.561 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 1.2 mp0 -42.81 -52.66 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.04 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.96 HD23 HG22 ' A' ' 405' ' ' VAL . 0.4 OUTLIER -37.66 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.33 109.261 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -50.26 -47.22 55.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.21 110.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . 0.42 ' OE1' ' NE2' ' A' ' 350' ' ' GLN . 76.2 mt-10 -51.96 -30.14 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.32 110.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.699 HH21 ' HG3' ' A' ' 404' ' ' GLU . 0.1 OUTLIER -79.83 -39.27 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 64.4 110.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 38.1 t -77.24 0.61 21.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 71.23 110.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -97.96 -26.17 14.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.31 110.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.524 ' HG3' HD22 ' A' ' 401' ' ' LEU . 9.4 pt-20 -104.96 -32.1 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 72.55 110.323 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.786 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -52.02 -54.49 29.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.42 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -60.84 -14.8 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.32 110.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 357' ' ' GLU . 24.4 mmmt -84.19 -54.63 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 74.04 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.843 ' OE2' HG23 ' A' ' 394' ' ' THR . 9.2 mm-40 -62.91 -35.77 81.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.2 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.601 HG23 HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.58 -22.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.02 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -24.6 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 74.31 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.486 HE21 HD21 ' A' ' 368' ' ' LEU . 7.3 pt20 -105.14 -27.45 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.33 110.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.853 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.18 -36.83 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 63.14 110.295 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 0.9 OUTLIER -85.51 -25.42 26.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 74.22 110.302 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -74.34 -27.54 60.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 64.14 109.256 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.486 HD21 HE21 ' A' ' 364' ' ' GLN . 16.0 mt -50.21 -49.85 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 71.3 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 71.33 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 374' ' ' VAL . 13.8 mtpp -71.06 -20.87 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 73.22 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.492 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 69.1 mmm -83.76 -6.45 59.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.54 111.029 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 376' ' ' GLU . 9.8 mtpt -89.38 -58.9 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.41 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.68 -46.36 58.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 51.52 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.586 HG23 ' CD1' ' A' ' 375' ' ' TYR . 21.0 m -54.72 -39.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 65.44 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 387' ' ' LEU . 13.8 m-30 -85.09 -15.86 42.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 71.3 111.01 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.4 mm-40 -76.29 -34.8 59.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 73.32 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 -37.9 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 64.34 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.742 HG22 ' HG3' ' A' ' 381' ' ' MET . 19.1 m -118.8 82.43 20.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 74.45 110.44 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 54.4 111.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.681 ' HG2' HG23 ' A' ' 378' ' ' THR . 3.6 pt20 -79.34 1.87 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.55 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.742 ' HG3' HG22 ' A' ' 378' ' ' THR . 4.0 mtt -99.42 -48.62 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 62.33 111.009 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.71 -163.55 25.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 34.44 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -117.41 135.51 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 73.33 109.305 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 387' ' ' LEU . 18.3 Cg_endo -75.01 -24.3 12.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 75.3 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.09 -10.1 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 62.55 109.337 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 38.9 t -100.58 6.56 44.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 65.34 109.972 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 375' ' ' TYR . 8.7 mt -109.91 -2.45 17.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 74.52 109.354 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.9 mt-10 -78.49 -47.68 1.91 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 73.33 110.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.0 -13.24 21.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 60.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.5 HE22 HD22 ' A' ' 387' ' ' LEU . 5.6 pt20 -95.33 -32.32 13.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 63.5 110.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.544 HG23 HD23 ' A' ' 395' ' ' LEU . 20.7 mt -67.88 -63.3 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 74.23 109.312 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.32 -21.67 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 51.44 109.324 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.38 -38.83 55.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 75.44 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.843 HG23 ' OE2' ' A' ' 361' ' ' GLU . 2.9 m -80.05 -29.31 39.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 60.33 110.431 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.544 HD23 HG23 ' A' ' 391' ' ' ILE . 2.8 mm? -78.89 -29.57 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 65.24 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 37.4 m -90.1 -23.01 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 70.21 109.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -83.99 -52.35 6.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.01 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.853 HD11 ' HB3' ' A' ' 365' ' ' ARG . 33.2 mt -43.27 -29.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 42.13 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.6 OUTLIER -69.19 -54.92 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.21 110.316 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 2.4 mtm105 -59.42 -35.85 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.53 110.262 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.786 HD13 ' HA ' ' A' ' 358' ' ' LEU . 32.8 mt -58.13 -73.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 71.15 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 405' ' ' VAL . 7.7 ptmt -47.62 -60.14 2.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 72.44 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.439 HD23 ' HG3' ' A' ' 402' ' ' LYS . 0.7 OUTLIER -40.7 -50.84 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 70.44 109.341 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.699 ' HG3' HH21 ' A' ' 354' ' ' ARG . 23.3 mm-40 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 62.21 110.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.96 HG22 HD23 ' A' ' 351' ' ' LEU . 0.4 OUTLIER -73.56 -4.45 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.21 109.316 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.03 -57.53 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 72.14 110.292 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -48.03 -42.58 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.01 109.322 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 10.3 m-85 -61.8 -54.09 47.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 73.34 110.983 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.774 ' HG2' HD11 ' A' ' 351' ' ' LEU . 30.8 mm-40 -54.96 -22.41 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.14 110.33 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.37 -20.15 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 72.33 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.0 m0 -75.2 -40.35 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 71.15 108.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.665 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.6 mm? -39.81 -40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 54.31 109.281 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.53 -39.89 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 61.11 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.9 mm-40 -64.24 -14.26 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.15 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.73 -56.63 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.21 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.5 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 0.7 OUTLIER -47.53 -51.98 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 64.32 110.265 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 20.7 t -47.99 -52.82 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 73.24 110.007 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -53.34 -32.7 50.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.32 110.255 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 415' ' ' ALA . 55.6 t -75.25 -76.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.15 109.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.21 109.269 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . 0.409 ' HA ' HH21 ' A' ' 344' ' ' ARG . 31.0 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.29 -0.263 . . . . 71.12 110.29 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -90.1 -21.18 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.35 110.245 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.37 -33.28 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.32 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.956 ' HA ' HD12 ' A' ' 347' ' ' LEU . 6.8 ptp180 -90.85 -6.33 54.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 72.11 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -78.87 -27.98 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 61.55 109.29 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 347' ' ' LEU . 5.3 ptm180 -88.04 -40.74 13.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 63.22 110.313 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 344' ' ' ARG . 17.2 mt -44.44 -59.35 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 63.4 109.321 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.402 ' HG3' HD11 ' A' ' 412' ' ' LEU . 65.1 mt-30 -59.65 -46.22 89.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 54.44 110.335 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -56.67 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 42.13 110.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -44.31 -45.97 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 64.34 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 347' ' ' LEU . 26.0 tp -42.71 -53.85 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 75.34 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 356' ' ' ARG . 4.9 tt0 -55.76 -49.11 74.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.14 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.02 -16.38 12.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 71.11 110.326 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.87 ' HB3' HG22 ' A' ' 405' ' ' VAL . 4.3 tpt180 -95.75 -40.59 9.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.34 110.269 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.39 0.48 53.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.52 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 352' ' ' GLU . 54.6 mtt180 -99.42 -45.3 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 71.14 110.301 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 401' ' ' LEU . 11.6 pt-20 -80.17 3.04 21.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.43 110.255 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.85 ' HA ' HD13 ' A' ' 401' ' ' LEU . 5.2 tt -77.92 -55.39 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 72.1 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -56.27 -16.87 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 64.33 110.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -76.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 62.44 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.641 ' HB2' HG23 ' A' ' 394' ' ' THR . 13.1 pt-20 -57.06 -22.77 41.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 74.11 110.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.592 HG22 HD13 ' A' ' 398' ' ' ILE . 1.7 t -77.11 -37.48 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.32 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.87 -30.26 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 71.42 109.317 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.543 HE21 HD21 ' A' ' 368' ' ' LEU . 8.1 pt20 -103.77 -24.95 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 51.42 110.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.884 ' NH1' HD11 ' A' ' 395' ' ' LEU . 0.0 OUTLIER -37.73 -40.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 71.31 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . 0.411 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.5 pt-20 -90.98 -31.92 16.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 65.33 110.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -54.8 -38.12 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 55.14 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.543 HD21 HE21 ' A' ' 364' ' ' GLN . 14.5 mt -43.82 -45.26 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.11 109.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -41.38 66.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.21 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.62 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -61.19 -28.09 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.22 109.269 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.61 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 49.2 mmm -80.65 -6.07 57.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 75.21 110.987 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.5 mtpt -90.94 -59.8 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 73.12 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.08 -47.76 61.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.15 109.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 370' ' ' LYS . 28.5 m -49.02 -37.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 65.21 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.803 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.2 m-30 -86.63 -26.28 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.34 110.999 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.05 -26.16 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.11 110.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -37.41 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 62.24 109.279 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 381' ' ' MET . 27.4 m -128.49 71.38 80.34 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 73.52 110.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 382' ' ' GLY . 18.3 Cg_endo -74.99 1.7 7.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 74.52 111.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -72.56 -13.87 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 74.41 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.1 OUTLIER -104.41 -4.84 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.45 111.005 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.57 -177.73 41.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 70.43 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.39 147.11 60.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 74.34 109.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.51 1.794 . . . . 64.12 111.045 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.17 -14.47 60.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 75.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 97.6 p -101.1 4.76 42.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 73.43 109.999 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.803 HD11 ' CE2' ' A' ' 375' ' ' TYR . 41.5 mt -110.43 -3.89 15.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 54.32 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.5 mt-10 -72.73 -46.96 9.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 71.34 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.98 -9.13 20.67 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 74.01 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.77 -31.31 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 64.52 110.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.683 HD12 ' O ' ' A' ' 387' ' ' LEU . 23.5 mt -77.44 -54.54 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 70.22 109.26 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.95 56.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 62.34 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.06 -34.99 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.12 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.641 HG23 ' HB2' ' A' ' 361' ' ' GLU . 4.9 m -84.98 -11.7 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 64.42 110.412 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.884 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.0 mm? -96.99 -28.06 14.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.51 109.234 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 7.2 t -90.59 -5.89 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 75.32 109.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -97.0 -52.59 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.42 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.592 HD13 HG22 ' A' ' 362' ' ' VAL . 96.3 mt -46.83 -42.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.32 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.581 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -54.48 -39.51 67.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 71.33 110.325 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 39.5 mtt180 -74.28 -38.77 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 73.51 110.298 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.94 ' O ' HG23 ' A' ' 405' ' ' VAL . 1.5 mt -59.21 -55.79 30.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.42 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 405' ' ' VAL . 6.1 ptmm? -59.2 -58.05 10.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 62.24 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -42.99 -53.31 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 71.1 109.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.71 ' HG3' HH21 ' A' ' 354' ' ' ARG . 20.7 mm-40 -60.57 -33.25 72.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.11 110.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 401' ' ' LEU . 98.9 t -76.15 -6.8 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 75.5 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.84 -57.53 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 73.33 110.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -44.72 -42.0 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 71.32 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 6.3 m-85 -62.26 -57.38 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 61.14 111.001 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.42 -21.09 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 62.2 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.49 -21.29 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 71.23 109.298 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.0 -38.38 64.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.974 -1.121 . . . . 75.34 107.974 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 347' ' ' LEU . 4.1 mm? -39.81 -44.81 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 73.33 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.63 -38.88 38.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.43 109.299 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.54 -15.26 60.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 72.11 110.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.66 -63.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.22 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 419' ' ' VAL . 9.2 mt-10 -46.46 -34.41 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.14 110.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 t -47.27 -42.24 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.4 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -60.83 -32.96 72.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.04 110.28 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.851 HG21 ' NH2' ' A' ' 344' ' ' ARG . 36.8 t -70.37 -72.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 74.42 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 60.31 109.311 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.309 -0.256 . . . . 74.15 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 343' ' ' GLN . 0.0 OUTLIER -96.1 -24.56 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 74.33 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' ' 342' ' ' GLN . 39.3 tt0 -56.65 -31.55 64.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.44 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.485 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.9 ptm180 -74.29 -26.21 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 75.24 110.286 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -30.0 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 63.1 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -38.06 81.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.34 110.258 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 411' ' ' TRP . 4.2 mt -59.41 -61.64 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.21 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.484 ' CG ' HD11 ' A' ' 412' ' ' LEU . 41.6 mt-30 -39.47 -29.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 72.43 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 347' ' ' LEU . 38.1 mt-30 -85.19 -47.87 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 61.25 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 347' ' ' LEU . 18.4 mm-40 -71.71 -6.14 39.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 74.33 110.303 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.953 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -84.53 -50.72 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.31 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 21.1 tt0 -63.18 -23.89 67.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 72.53 110.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -76.03 -51.3 12.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.3 110.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.825 HH21 ' CD ' ' A' ' 404' ' ' GLU . 9.0 mmt180 -58.83 -33.39 70.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.11 110.276 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 7.0 t -86.37 -1.96 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.4 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.1 mmm-85 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.13 110.296 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.845 ' OE1' HD21 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -99.47 1.44 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 71.22 110.272 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.978 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.4 tt -89.39 -49.69 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.35 109.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 50.0 tp60 -59.25 -27.38 65.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 74.42 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . 0.473 ' CE ' ' HA ' ' A' ' 357' ' ' GLU . 2.1 ptpt -78.69 -38.78 38.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 73.53 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.564 ' HG3' HD11 ' A' ' 401' ' ' LEU . 5.6 mm-40 -69.36 -36.76 77.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 71.45 110.261 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.68 -39.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 72.31 109.256 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 7.9 t70 -56.63 -29.7 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 71.53 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.547 ' HG3' HD21 ' A' ' 368' ' ' LEU . 7.5 pt20 -104.65 -27.68 11.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.2 110.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.755 ' HE ' HD11 ' A' ' 395' ' ' LEU . 0.9 OUTLIER -35.68 -44.39 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 63.25 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -85.44 -36.47 20.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 71.24 110.333 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -51.75 -35.67 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 73.12 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.946 HD13 ' HG2' ' A' ' 390' ' ' GLN . 10.3 mt -45.66 -45.31 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 73.15 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -37.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 65.5 109.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.956 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -65.44 -30.0 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 64.42 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 39.6 mmm -73.66 -7.42 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 71.32 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.0 mtpt -92.12 -56.57 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 73.13 109.308 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.73 -42.57 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 73.42 109.282 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.956 HG13 ' O ' ' A' ' 370' ' ' LYS . 17.3 m -53.55 -33.78 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 71.21 109.278 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.782 ' CE2' HD11 ' A' ' 387' ' ' LEU . 22.4 m-30 -90.15 -26.74 20.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 71.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -63.72 -26.76 68.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 61.02 110.294 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -35.57 4.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 62.31 109.284 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 381' ' ' MET . 33.3 m -130.07 67.88 80.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 63.55 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.03 1.88 7.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 71.41 110.987 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.86 -1.61 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.4 110.277 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -118.93 -4.81 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 75.2 111.005 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 173.19 -164.26 36.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 35.52 111.02 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.416 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 2.0 m-20 -154.28 146.39 17.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 70.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.5 Cg_endo -75.04 -24.54 12.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 52.4 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.16 -17.38 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 64.11 109.334 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 34.3 m -100.63 7.12 44.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 75.53 109.977 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.782 HD11 ' CE2' ' A' ' 375' ' ' TYR . 71.4 mt -108.65 -12.26 14.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 44.2 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.594 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -58.45 -45.41 99.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 75.45 110.245 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.03 -6.89 18.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 71.31 110.988 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.946 ' HG2' HD13 ' A' ' 368' ' ' LEU . 5.6 tt0 -99.65 -21.21 15.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 55.13 110.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 372' ' ' LYS . 18.6 mt -89.99 -54.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 72.44 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.76 -23.92 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.31 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 389' ' ' PRO . 15.3 tt0 -78.37 -40.05 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 52.22 110.334 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 398' ' ' ILE . 31.2 m -76.52 -26.55 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 65.13 110.421 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.755 HD11 ' HE ' ' A' ' 365' ' ' ARG . 2.3 mm? -84.36 -28.02 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 65.14 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 42.1 t -88.25 -20.84 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 54.42 110.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 400' ' ' ARG . 92.8 m-20 -86.48 -47.72 9.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 53.44 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 365' ' ' ARG . 46.1 mt -48.08 -28.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 73.05 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.797 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -72.57 -36.74 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 75.13 110.308 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 16.4 mtp85 -76.03 -39.88 54.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 75.14 110.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.978 HD13 ' HA ' ' A' ' 358' ' ' LEU . 13.8 mt -53.08 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 64.12 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.35 -56.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.1 109.35 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 399' ' ' GLU . 3.6 mm? -42.67 -50.93 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 61.24 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.825 ' CD ' HH21 ' A' ' 354' ' ' ARG . 2.5 mm-40 -60.33 -36.69 78.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.44 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' ' 354' ' ' ARG . 24.6 t -73.21 -5.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 70.12 109.277 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -99.54 -57.8 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 71.33 110.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.602 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.9 ptpp? -46.94 -43.39 19.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.43 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.499 ' O ' HD23 ' A' ' 412' ' ' LEU . 5.1 m-85 -62.47 -59.92 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.14 110.97 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.953 ' CG ' HD11 ' A' ' 351' ' ' LEU . 8.2 mt-10 -53.09 -19.93 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 73.21 110.29 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.414 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -22.5 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 65.14 109.271 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -71.99 -40.84 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 75.53 107.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 408' ' ' TYR . 4.5 mm? -39.79 -43.76 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 62.43 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.84 32.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.01 109.351 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.3 mm-40 -63.49 -16.06 59.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 65.3 110.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 75.43 109.308 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.485 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 31.0 mt-10 -38.47 -50.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 75.51 110.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 23.0 t -51.93 -48.58 64.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 73.51 110.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 415' ' ' ALA . 36.9 mtp85 -57.55 -32.29 66.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.21 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 39.4 t -73.15 -70.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 71.13 109.327 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.03 109.33 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.341 -0.244 . . . . 74.11 110.341 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -23.54 15.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.45 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.72 -30.74 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 72.02 110.296 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.44 -6.3 54.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 70.22 110.309 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -84.93 -45.97 11.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 64.31 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 347' ' ' LEU . 3.4 ptt85 -57.14 -31.87 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.54 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.61 HD13 ' CB ' ' A' ' 411' ' ' TRP . 24.8 mt -63.65 -59.56 4.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.44 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.648 ' CG ' HD11 ' A' ' 412' ' ' LEU . 67.0 mt-30 -42.67 -44.16 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 75.01 110.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 351' ' ' LEU . 39.0 mm-40 -65.57 -70.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 70.23 110.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.04 -27.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.23 110.347 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 1.055 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.3 tt -61.9 -73.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.299 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 44.1 tt0 -53.04 -20.14 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.41 110.301 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.61 -42.64 61.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 71.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.609 ' HB2' HG22 ' A' ' 405' ' ' VAL . 12.7 mmt180 -68.3 -57.6 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.43 110.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 358' ' ' LEU . 1.6 t -53.86 -33.56 56.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 74.34 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.8 mmm-85 -54.09 -29.94 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 71.22 110.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LYS . 2.9 mm-40 -105.51 -24.57 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 72.4 110.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.735 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.3 tt -50.43 -46.03 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 53.33 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 54.6 tp60 -72.36 -26.67 61.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 75.25 110.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . 0.424 ' HA ' ' CE ' ' A' ' 360' ' ' LYS . 0.0 OUTLIER -64.92 -45.15 87.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.42 109.274 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.586 ' OE2' HD11 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -76.59 -37.78 55.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 72.45 110.288 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.814 HG23 HG12 ' A' ' 398' ' ' ILE . 1.5 t -74.96 -19.97 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.12 109.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.8 OUTLIER -76.48 -26.55 55.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 54.05 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 4.4 pt20 -104.97 -22.53 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 74.32 110.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.738 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -48.36 -36.01 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.42 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 6.1 pt-20 -92.38 -20.11 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 45.41 110.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -80.89 -20.4 42.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.32 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.652 HD11 ' OG1' ' A' ' 394' ' ' THR . 5.0 mt -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 65.12 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -50.04 -23.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 63.12 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.994 ' O ' HG13 ' A' ' 374' ' ' VAL . 23.2 mtpt -87.5 -33.65 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.03 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.646 ' C ' HG22 ' A' ' 374' ' ' VAL . 52.5 mmm -66.41 -10.53 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 72.35 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.557 ' HD2' HD11 ' A' ' 391' ' ' ILE . 0.0 OUTLIER -94.42 -61.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 71.33 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 12.1 t0 -45.26 -35.23 3.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 44.45 109.275 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.994 HG13 ' O ' ' A' ' 370' ' ' LYS . 35.5 m -52.87 -44.51 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 74.15 109.252 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.614 ' HE2' HD21 ' A' ' 387' ' ' LEU . 18.5 m-85 -80.63 -31.89 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 71.43 110.97 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -54.12 -30.97 50.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.45 110.306 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.6 OUTLIER -111.93 -32.43 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 73.15 109.336 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.6 m -133.72 69.83 75.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 72.12 110.41 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.5 Cg_endo -74.97 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 64.43 111.023 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.603 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.5 pt20 -70.71 -5.71 31.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 72.1 110.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -114.94 -7.54 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 70.31 111.032 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 164.99 -171.81 40.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 75.44 111.027 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.558 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 48.3 m-20 -132.6 146.96 63.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 74.11 109.284 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.78 19.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 62.21 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 0.417 ' HA ' ' CG ' ' A' ' 388' ' ' GLU . . . -79.14 -2.7 42.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 71.45 109.262 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 14.5 m -101.65 7.06 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 71.41 109.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.614 HD21 ' HE2' ' A' ' 375' ' ' TYR . 0.4 OUTLIER -119.15 -0.62 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 75.32 109.338 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.0 OUTLIER -68.68 -46.23 34.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 63.25 110.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.02 -10.74 21.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 62.24 111.014 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -99.46 -31.28 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.24 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.557 HD11 ' HD2' ' A' ' 372' ' ' LYS . 11.5 mt -60.76 -60.5 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 71.51 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.77 -15.18 39.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 52.03 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 15.7 tt0 -83.79 -34.03 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 44.11 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.652 ' OG1' HD11 ' A' ' 368' ' ' LEU . 9.6 m -72.39 -50.57 25.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 63.33 110.372 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.467 ' HA ' HD13 ' A' ' 395' ' ' LEU . 2.8 mm? -58.42 -49.05 78.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 65.34 109.246 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 5.5 t -68.99 -14.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 73.21 109.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.467 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 20.2 m-20 -91.11 -22.87 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 44.11 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.814 HG12 HG23 ' A' ' 362' ' ' VAL . 18.7 mt -83.13 -43.41 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 72.12 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.768 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.0 OUTLIER -69.22 -20.73 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 75.43 110.355 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 6.7 ptm180 -98.63 -8.5 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 70.04 110.271 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 358' ' ' LEU . 10.8 mt -95.61 -39.97 9.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.5 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.428 ' HD2' HG22 ' A' ' 398' ' ' ILE . 5.2 ptmm? -78.44 -34.96 47.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 74.41 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -59.87 -50.9 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 65.1 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 71.5 mm-40 -61.09 -24.9 66.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 72.42 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.826 HG13 ' CD2' ' A' ' 351' ' ' LEU . 96.7 t -92.29 -4.66 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 64.3 109.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -98.76 -14.26 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 74.35 110.315 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -95.52 -41.05 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.01 109.299 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 9.0 m-85 -62.33 -59.96 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 73.13 111.013 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 1.055 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.9 mt-10 -54.02 -19.38 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 65.34 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.38 -22.01 16.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 72.12 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -72.85 -42.16 64.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.43 107.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.648 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.3 mm? -39.52 -42.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 64.14 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.37 -40.55 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 72.21 109.267 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.3 mm-40 -63.5 -14.77 54.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.22 110.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.57 -60.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.24 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.21 -53.86 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.24 110.28 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.4 t -45.88 -39.33 8.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 73.14 110.011 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -70.47 -48.14 57.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.12 110.291 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 78.9 t -50.17 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 71.45 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 64.34 109.292 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.34 -0.244 . . . . 71.24 110.34 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 345' ' ' LYS . 11.6 mt-30 -98.25 -47.39 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 64.44 110.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -40.63 -35.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.11 110.323 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 416' ' ' GLU . 9.5 ptm180 -67.76 -47.81 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 73.22 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 342' ' ' GLN . 2.7 ptpt -49.92 -29.76 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 55.43 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -68.95 -41.47 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 73.12 110.283 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 411' ' ' TRP . 18.5 mt -65.78 -46.11 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.41 109.272 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.793 ' HG2' HD11 ' A' ' 412' ' ' LEU . 24.4 mt-30 -55.81 -20.03 13.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 72.44 110.319 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -87.64 -75.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.44 110.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -46.16 -30.76 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 55.42 110.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 1.021 ' CD1' HG22 ' A' ' 405' ' ' VAL . 0.3 OUTLIER -60.0 -59.13 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 70.32 109.325 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.1 tt0 -60.42 -21.89 62.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 64.11 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 356' ' ' ARG . 75.7 mt-10 -87.87 -10.26 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 64.42 110.317 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.555 ' HD2' HD23 ' A' ' 401' ' ' LEU . 4.2 mmt180 -95.55 -35.92 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 64.53 110.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 358' ' ' LEU . 2.0 t -75.11 -54.8 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 75.13 109.966 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.471 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 0.2 OUTLIER -46.31 -47.55 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.45 110.327 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.923 ' CD ' HD21 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 74.41 110.304 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.705 ' HA ' HD13 ' A' ' 401' ' ' LEU . 3.5 tt -64.19 -48.91 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 61.04 109.351 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.1 tp60 -65.46 -10.06 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 73.33 110.265 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -87.5 -29.72 21.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 74.24 109.292 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 394' ' ' THR . 7.2 mm-40 -78.86 -39.39 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 65.14 110.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.416 ' HA ' ' CG ' ' A' ' 365' ' ' ARG . 3.1 t -79.87 -31.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.0 OUTLIER -61.62 -23.88 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.2 109.268 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.608 HE21 HD21 ' A' ' 368' ' ' LEU . 5.5 pt20 -104.61 -25.28 12.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.103 . . . . 61.21 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.509 ' HE ' HD11 ' A' ' 395' ' ' LEU . 3.6 mmm180 -35.24 -62.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.33 110.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.17 -34.31 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 74.21 110.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -51.1 -50.23 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 75.35 109.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.639 HD13 ' HG3' ' A' ' 390' ' ' GLN . 6.8 mt -42.09 -57.78 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.43 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -45.83 -38.96 7.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.12 109.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.92 ' O ' HG13 ' A' ' 374' ' ' VAL . 16.3 mtmt -72.85 -37.0 67.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.22 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.65 ' O ' HG22 ' A' ' 374' ' ' VAL . 61.8 mmm -63.29 -11.01 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 64.14 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.468 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 1.3 mtpm? -88.47 -55.14 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 72.34 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 18.5 t0 -50.97 -41.02 59.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 72.31 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.2 m -53.95 -33.41 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 64.31 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.788 ' CE2' HD11 ' A' ' 387' ' ' LEU . 20.5 m-30 -91.48 -27.25 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.42 110.983 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.32 -26.28 68.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.1 110.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -115.1 -36.31 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.04 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.541 HG22 ' HG3' ' A' ' 380' ' ' GLN . 4.3 m -130.87 69.03 82.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 72.31 110.391 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . 0.419 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.57 7.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 72.51 110.969 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 378' ' ' THR . 2.0 pp0? -73.69 -2.84 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 63.1 110.343 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.88 -4.6 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 63.23 111.01 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 176.99 39.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 23.43 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.424 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 0.6 OUTLIER -127.78 144.4 51.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 61.42 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.46 11.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.799 . . . . 75.33 111.009 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.96 -12.56 51.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 74.25 109.257 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 m -100.79 9.01 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.53 110.021 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.788 HD11 ' CE2' ' A' ' 375' ' ' TYR . 13.4 mt -117.02 -3.8 11.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 53.1 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.627 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.98 -43.85 2.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 73.21 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.05 -20.65 16.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 72.44 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.639 ' HG3' HD13 ' A' ' 368' ' ' LEU . 5.4 pt20 -89.06 -28.19 20.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 64.01 110.276 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 387' ' ' LEU . 12.6 mt -67.9 -56.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 73.41 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.07 -11.85 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 62.54 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -85.17 -32.95 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.12 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.513 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.0 m -69.22 -34.5 74.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 63.42 110.364 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.509 HD11 ' HE ' ' A' ' 365' ' ' ARG . 2.2 mm? -74.99 -54.58 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 75.22 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . 0.443 ' O ' ' NE ' ' A' ' 400' ' ' ARG . 3.1 t -60.62 -20.09 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 72.25 109.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 393' ' ' GLU . 78.1 m-20 -90.04 -25.55 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 52.32 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 394' ' ' THR . 10.8 mt -77.26 -46.1 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 71.24 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.858 ' O ' HD22 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -62.29 -36.41 82.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 70.51 110.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 400' ' ' ARG . 3.4 ptp180 -83.02 -7.11 59.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.01 110.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.923 HD21 ' CD ' ' A' ' 357' ' ' GLU . 2.8 mt -89.92 -74.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.4 109.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.474 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.6 OUTLIER -39.49 -44.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 61.33 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 399' ' ' GLU . 1.1 mp -46.64 -49.68 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 71.23 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 21.0 mm-40 -56.3 -44.25 79.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 73.43 110.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 1.021 HG22 ' CD1' ' A' ' 351' ' ' LEU . 3.4 t -73.16 -3.86 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 64.44 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.48 -40.36 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 71.53 110.289 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.623 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -75.02 -41.01 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 75.04 109.358 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.718 ' HB3' HD22 ' A' ' 351' ' ' LEU . 8.7 m-85 -63.91 -59.37 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 61.23 110.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.952 ' HG3' HD21 ' A' ' 351' ' ' LEU . 8.4 mt-10 -54.28 -18.93 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 74.22 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.32 -23.77 15.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.3 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.4 m0 -71.02 -42.01 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 70.01 107.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.793 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.5 mm? -39.72 -42.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.52 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.72 28.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 71.54 109.313 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.9 mm-40 -64.0 -15.02 58.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 75.21 110.267 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.93 -64.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 65.12 109.255 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 344' ' ' ARG . 42.8 mt-10 -38.72 -45.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 73.54 110.278 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.2 p -39.74 -49.83 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 54.23 110.043 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 -57.96 -45.56 86.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.41 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 416' ' ' GLU . 75.9 t -55.71 -62.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 64.54 109.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 75.03 109.271 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.275 -0.268 . . . . 72.22 110.275 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 342' ' ' GLN . 0.0 OUTLIER -78.94 -17.73 55.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 72.12 110.331 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -57.51 -28.8 63.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 75.35 110.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.84 ' HA ' HD12 ' A' ' 347' ' ' LEU . 0.9 OUTLIER -79.34 -16.43 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.42 110.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.426 ' HD2' ' NE2' ' A' ' 349' ' ' GLN . 0.0 OUTLIER -79.96 -23.9 41.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 73.13 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 347' ' ' LEU . 1.4 ptm180 -75.26 -30.81 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.53 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.84 HD12 ' HA ' ' A' ' 344' ' ' ARG . 4.1 mt -67.14 -73.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 70.34 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.549 ' CG ' HD11 ' A' ' 412' ' ' LEU . 26.7 mt-30 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.11 110.275 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 347' ' ' LEU . 69.6 mt-30 -67.59 -57.4 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.13 110.288 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 70.9 mm-40 -62.96 -30.13 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 72.01 110.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 408' ' ' TYR . 0.1 OUTLIER -62.04 -56.76 15.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.51 109.365 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.41 -11.33 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 74.35 110.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -87.3 -46.95 9.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 54.42 110.29 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.579 ' HB2' HG23 ' A' ' 405' ' ' VAL . 48.2 mmt-85 -62.12 -53.09 60.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.33 110.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 17.8 t -48.54 -23.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 64.25 109.967 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -82.13 -57.86 3.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 64.33 110.333 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.88 ' OE2' HD21 ' A' ' 401' ' ' LEU . 5.4 pt-20 -70.26 -6.27 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 52.5 110.305 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.629 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -87.28 -52.43 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 75.31 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 46.8 tp60 -68.14 -8.14 35.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 75.25 110.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -84.35 -29.93 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.3 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . 0.755 ' OE1' HG23 ' A' ' 394' ' ' THR . 60.1 mm-40 -96.7 -33.62 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 75.43 110.32 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.837 HG23 HG12 ' A' ' 398' ' ' ILE . 1.8 t -77.07 -19.41 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.32 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.1 OUTLIER -76.78 -26.0 54.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 72.3 109.312 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 5.8 pt20 -105.12 -25.15 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.44 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.865 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -44.75 -37.66 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 54.25 110.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.1 pt-20 -88.57 -24.14 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 72.11 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -77.0 -20.42 56.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 50.31 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 391' ' ' ILE . 8.4 mt -56.25 -55.67 30.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 73.14 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -59.18 -22.78 61.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 75.2 109.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -77.33 -23.58 50.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 63.51 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.52 ' CB ' HD13 ' A' ' 387' ' ' LEU . 65.7 mmm -80.22 -6.5 57.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 73.51 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 376' ' ' GLU . 12.7 mttt -86.98 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 70.52 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -48.2 -47.89 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 72.23 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.557 HG23 ' CD1' ' A' ' 375' ' ' TYR . 18.3 m -53.84 -39.33 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 74.23 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.658 ' CE2' HD11 ' A' ' 387' ' ' LEU . 12.8 m-30 -84.33 -16.91 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 63.21 111.006 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 372' ' ' LYS . 3.2 mm-40 -75.25 -34.61 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.52 110.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 -40.34 5.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 71.22 109.277 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.804 HG22 ' HG2' ' A' ' 380' ' ' GLN . 12.7 m -116.77 83.01 13.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 62.24 110.372 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 74.4 111.019 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.804 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.1 pt20 -78.48 -0.58 29.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 55.34 110.311 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 3.5 mtt -96.65 -48.24 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 71.34 110.986 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -173.65 -167.29 33.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 41.31 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -110.97 135.57 20.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 75.43 109.307 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.98 10.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 61.21 110.984 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.94 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.43 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 13.7 m -93.78 4.0 54.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 73.52 110.012 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.658 HD11 ' CE2' ' A' ' 375' ' ' TYR . 39.9 mt -107.22 -7.7 16.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.51 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.3 mt-10 -77.86 -48.04 2.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 72.34 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.03 -9.2 20.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 44.04 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.456 ' HG2' HD13 ' A' ' 368' ' ' LEU . 20.6 tt0 -95.62 -35.23 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.22 110.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 387' ' ' LEU . 11.3 mt -60.27 -67.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.5 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.91 -19.95 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.31 109.293 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 12.1 tt0 -79.68 -37.03 36.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.15 110.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.755 HG23 ' OE1' ' A' ' 361' ' ' GLU . 65.7 m -78.38 -33.67 48.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.42 110.343 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.13 -59.07 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 71.53 109.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . 0.403 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 12.7 m -61.7 -19.32 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 64.13 110.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.704 ' O ' HD12 ' A' ' 401' ' ' LEU . 37.5 m-20 -85.46 -20.2 30.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 62.42 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.865 HD11 ' HB3' ' A' ' 365' ' ' ARG . 15.5 mt -82.37 -48.01 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 60.21 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 403' ' ' LEU . 2.8 pt-20 -64.95 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.32 110.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.6 ptm180 -71.98 -7.85 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 75.45 110.353 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.88 HD21 ' OE2' ' A' ' 357' ' ' GLU . 7.5 mt -96.86 -68.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.31 109.337 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.531 ' O ' HG12 ' A' ' 405' ' ' VAL . 12.5 ptpt -43.54 -49.58 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 63.34 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.9 mm? -45.72 -41.84 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 74.53 109.272 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 38.3 mm-40 -71.41 -32.0 67.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 72.24 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 354' ' ' ARG . 0.4 OUTLIER -73.78 -4.8 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 73.24 109.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -99.1 -58.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 72.12 110.266 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.608 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -46.06 -44.79 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.43 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.735 ' HB3' HD23 ' A' ' 351' ' ' LEU . 4.9 m-85 -63.28 -56.51 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.32 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . 0.505 ' CG ' HD21 ' A' ' 351' ' ' LEU . 1.1 mm-40 -55.22 -20.77 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 61.35 110.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.25 -23.28 15.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 74.5 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -70.66 -39.32 73.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 63.41 107.984 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.549 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.4 mm? -40.29 -44.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 71.12 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.51 -39.82 36.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 52.44 109.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.1 mm-40 -63.18 -16.03 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.34 110.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -101.64 -67.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 54.01 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.93 -43.18 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 63.43 110.262 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -39.11 -44.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 62.11 109.992 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.35 -53.09 60.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 63.24 110.31 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 53.9 t -50.25 -58.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 63.03 109.266 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.22 109.29 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.317 -0.253 . . . . 61.34 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 345' ' ' LYS . 27.0 mm100 -98.29 -33.33 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 63.32 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -47.45 -51.31 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 71.41 110.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . 0.469 ' HG3' ' CD ' ' A' ' 345' ' ' LYS . 9.5 ptm180 -62.2 -21.51 65.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 64.42 110.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' LYS . . . . . 0.647 ' HB2' HH21 ' A' ' 346' ' ' ARG . 0.0 OUTLIER -81.57 -41.54 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 74.24 109.305 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' ARG . . . . . 0.757 ' NH2' HE22 ' A' ' 349' ' ' GLN . 0.8 OUTLIER -53.88 -43.74 69.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 70.05 110.298 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 411' ' ' TRP . 18.2 mt -56.95 -68.22 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 65.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' GLN . . . . . 0.743 ' CG ' HD11 ' A' ' 412' ' ' LEU . 58.6 mt-30 -38.16 -38.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 72.52 110.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' GLN . . . . . 0.757 HE22 ' NH2' ' A' ' 346' ' ' ARG . 7.6 mt-30 -68.12 -60.17 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 53.01 110.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -61.04 -14.27 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 62.23 110.278 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' LEU . . . . . 0.794 HD12 HG13 ' A' ' 405' ' ' VAL . 15.8 tp -73.21 -50.74 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 65.14 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.74 -36.1 73.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.01 110.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.8 mt-10 -71.15 -60.21 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 75.14 110.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . 0.738 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.6 tpt180 -45.01 -42.23 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 63.4 110.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 13.5 t -72.13 -31.98 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 55.04 109.974 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 356' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 353' ' ' GLU . 12.5 mtt180 -66.27 -50.96 61.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 74.24 110.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 357' ' ' GLU . . . . . 0.753 ' OE1' HD21 ' A' ' 401' ' ' LEU . 3.0 pt-20 -71.22 -5.53 32.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 70.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 358' ' ' LEU . . . . . 0.982 ' HA ' HD13 ' A' ' 401' ' ' LEU . 1.9 tt -92.96 -47.75 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 70.23 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -71.81 -15.81 62.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.12 110.33 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.2 -25.95 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 64.23 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -91.08 -30.04 16.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 73.42 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 362' ' ' VAL . . . . . 0.464 HG22 HD13 ' A' ' 398' ' ' ILE . 2.0 t -77.15 -25.19 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.45 -24.37 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 70.12 109.28 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 364' ' ' GLN . . . . . 0.513 HE21 HD21 ' A' ' 368' ' ' LEU . 6.9 pt20 -104.98 -27.4 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 62.14 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 365' ' ' ARG . . . . . 0.55 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -46.8 -33.83 4.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 64.45 110.228 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 366' ' ' GLU . . . . . 0.484 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 2.0 pt-20 -84.99 -25.55 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.24 110.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 367' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -76.07 -30.03 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 41.03 109.291 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.513 HD21 HE21 ' A' ' 364' ' ' GLN . 15.2 mt -48.47 -54.65 13.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 73.24 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -59.02 -26.22 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.14 109.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 370' ' ' LYS . . . . . 0.927 ' O ' HG13 ' A' ' 374' ' ' VAL . 22.6 mtpt -78.91 -31.19 45.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 75.22 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 371' ' ' MET . . . . . 0.623 ' O ' HG22 ' A' ' 374' ' ' VAL . 61.9 mmm -68.54 -8.91 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 74.43 110.964 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 372' ' ' LYS . . . . . 0.628 ' HD2' HD11 ' A' ' 391' ' ' ILE . 14.3 mtpt -90.18 -54.46 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.41 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 373' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 35.5 t0 -51.45 -39.1 56.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 70.22 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 374' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 370' ' ' LYS . 5.1 m -55.82 -33.47 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.22 109.281 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 375' ' ' TYR . . . . . 0.879 ' CD1' HG23 ' A' ' 374' ' ' VAL . 17.8 m-30 -91.77 -23.91 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 75.24 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.64 -28.46 68.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.03 110.318 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 377' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -114.04 -35.74 4.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 71.21 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 378' ' ' THR . . . . . 0.887 HG22 ' HG2' ' A' ' 380' ' ' GLN . 4.4 m -125.57 84.92 59.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 44.3 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.39 8.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.761 . . . . 70.13 110.983 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' GLN . . . . . 0.887 ' HG2' HG22 ' A' ' 378' ' ' THR . 7.4 pt20 -82.02 -1.16 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 54.35 110.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' MET . . . . . 0.438 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 5.9 mtt -90.95 -49.91 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 74.21 111.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.408 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -169.52 -158.2 13.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 51.33 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.05 134.64 23.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 55.22 109.31 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' PRO . . . . . 0.415 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.4 Cg_endo -74.98 -29.33 8.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 75.13 111.009 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 73.41 109.29 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 15.9 m -92.53 7.72 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 75.43 110.013 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 375' ' ' TYR . 89.3 mt -111.85 -12.29 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.24 109.336 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 4.2 mm-40 -72.96 -43.78 8.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 70.41 110.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.95 -8.12 19.83 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.53 1.805 . . . . 71.21 111.0 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' GLN . . . . . 0.446 HE21 HD22 ' A' ' 368' ' ' LEU . 19.0 tt0 -97.4 -38.14 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 75.3 110.278 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.628 HD11 ' HD2' ' A' ' 372' ' ' LYS . 24.8 mt -62.27 -68.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 73.03 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 396' ' ' SER . . . -49.34 -23.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.52 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -75.57 -39.71 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.05 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 398' ' ' ILE . 7.8 m -84.83 -16.05 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 63.11 110.408 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' LEU . . . . . 0.54 HD23 HG23 ' A' ' 391' ' ' ILE . 3.1 mm? -95.62 -27.88 15.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 73.22 109.326 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 392' ' ' ALA . 49.5 m -92.03 -7.85 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 60.41 110.022 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 72.6 m-20 -97.53 -52.87 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 61.2 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 394' ' ' THR . 79.7 mt -45.65 -42.28 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 50.25 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -56.19 -38.31 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.23 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 7.1 mtt-85 -80.29 -31.02 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 75.01 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 1.025 ' O ' HG23 ' A' ' 405' ' ' VAL . 22.8 mt -59.19 -70.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 74.21 109.326 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.443 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -48.77 -55.32 11.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.15 109.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 399' ' ' GLU . 4.6 mp -45.13 -49.08 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 75.12 109.306 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' GLU . . . . . 0.735 ' HG3' HH21 ' A' ' 354' ' ' ARG . 13.9 mm-40 -66.53 -31.67 72.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 74.41 110.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 401' ' ' LEU . 7.5 t -76.51 -4.89 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 75.22 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.05 -58.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.33 110.298 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 2.9 ptpt -43.18 -44.56 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.32 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 412' ' ' LEU . 9.8 m-85 -61.08 -59.67 4.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 52.33 111.005 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -53.07 -19.98 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 65.3 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.46 -21.96 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 61.43 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.4 m0 -73.77 -38.97 64.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 74.13 107.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.7 mm? -39.38 -43.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.43 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.21 27.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 63.25 109.263 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -63.25 -15.01 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 41.32 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -67.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 42.41 109.31 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.454 ' CD ' ' NH2' ' A' ' 344' ' ' ARG . 39.1 mt-10 -38.86 -46.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.34 110.262 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.2 t -39.57 -53.04 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.21 110.031 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' ARG . . . . . 0.423 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 0.6 OUTLIER -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 74.51 110.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 59.2 t -47.08 -62.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 73.53 109.371 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 71.22 109.314 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.961 -0.856 . . . . 73.12 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -61.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 73.5 111.041 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -110.26 158.34 18.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.23 109.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.06 148.04 40.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 75.02 111.043 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 9.9 t -74.42 -176.73 2.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 65.31 110.441 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.25 -73.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 75.4 110.315 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -81.49 146.83 30.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 75.41 109.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -104.1 14.81 29.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 74.24 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 4.0 p -74.68 -53.6 8.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 53.34 110.011 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -53.59 -22.26 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 62.3 109.591 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.72 158.35 85.96 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 63.52 109.312 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.97 25.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 65.43 111.013 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.51 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.5 Cg_endo -74.95 -12.82 21.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.552 1.817 . . . . 64.45 111.007 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -86.23 -38.24 17.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 73.43 110.332 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.414 ' NE2' ' HG2' ' A' ' 345' ' ' LYS . 0.0 OUTLIER -91.23 -21.41 21.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 55.51 110.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -57.87 -43.92 86.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 75.42 110.347 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.496 HH21 HE22 ' A' ' 348' ' ' GLN . 2.5 ptm180 -74.71 -6.08 46.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 55.12 110.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 345' ' ' LYS . 2.3 tptt -88.54 -9.85 50.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 72.22 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -84.22 -61.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 62.43 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.685 HD23 ' HE3' ' A' ' 411' ' ' TRP . 0.5 OUTLIER -48.94 -52.74 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 71.34 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.945 ' HG3' HD11 ' A' ' 412' ' ' LEU . 59.4 mt-30 -38.67 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.11 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.569 ' H ' ' NE2' ' A' ' 349' ' ' GLN . 1.4 mp0 -45.49 -60.16 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 65.22 110.276 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -48.43 -26.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 73.32 110.291 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.772 HD23 ' CB ' ' A' ' 408' ' ' TYR . 1.1 tm? -76.19 -44.73 36.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 62.41 109.275 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -55.77 -22.36 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 74.43 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 356' ' ' ARG . 2.9 mm-40 -90.15 -56.38 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 110.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.503 HH21 ' HG3' ' A' ' 404' ' ' GLU . 1.6 tpt180 -46.88 -24.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.11 110.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.4 t -92.56 -32.34 14.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 74.31 110.015 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 353' ' ' GLU . 6.3 mmm-85 -62.59 -53.23 57.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.11 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.928 ' OE2' HD21 ' A' ' 401' ' ' LEU . 2.4 pt-20 -63.45 -12.55 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 70.53 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 358' ' ' LEU . 3.3 tt -85.52 -48.69 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 53.11 109.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.07 -14.09 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 73.3 110.258 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -81.55 -31.57 32.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 73.13 109.302 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 365' ' ' ARG . 5.5 mt-10 -90.16 -22.64 21.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 72.52 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.414 ' HA ' ' CB ' ' A' ' 365' ' ' ARG . 3.1 t -78.95 -37.2 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 43.45 109.312 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.61 -30.57 67.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 44.52 109.319 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.738 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 5.8 pt20 -104.66 -23.95 13.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 62.23 110.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.543 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -38.85 -48.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 62.05 110.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -87.8 -23.42 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 64.12 110.248 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -70.06 -20.2 63.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 33.04 109.303 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 391' ' ' ILE . 9.7 mt -58.63 -55.13 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 74.4 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . 0.416 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 5.3 mtmp? -49.46 -36.88 24.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.44 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.939 ' O ' HG13 ' A' ' 374' ' ' VAL . 15.1 mtmt -76.31 -32.92 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 64.21 109.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.572 ' O ' HG22 ' A' ' 374' ' ' VAL . 52.2 mmm -66.84 -8.11 26.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 75.11 110.988 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.526 ' HD2' HD11 ' A' ' 391' ' ' ILE . 10.2 mtpt -90.78 -56.61 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 72.13 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 9.5 t0 -50.42 -41.66 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 74.3 109.249 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.939 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.4 m -50.27 -35.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 72.02 109.291 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.802 ' CD1' HG23 ' A' ' 374' ' ' VAL . 20.0 m-30 -90.24 -33.01 16.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 64.44 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.72 -27.04 58.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 74.12 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.8 OUTLIER -114.75 -35.84 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 54.53 109.301 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 381' ' ' MET . 3.2 m -131.53 69.22 81.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 72.24 110.397 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . 0.477 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -74.97 0.95 8.26 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.499 1.789 . . . . 51.14 111.011 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.4 ' HG2' HG22 ' A' ' 378' ' ' THR . 6.2 pt20 -71.47 -7.24 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 60.14 110.251 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -113.18 -4.84 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 73.41 110.976 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 168.12 171.56 34.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 53.35 110.979 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -120.08 143.43 35.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 75.42 109.292 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 74.22 111.02 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -68.55 -13.67 62.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 62.02 109.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 9.8 t -100.63 8.7 43.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 71.21 110.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.662 HD11 ' CE2' ' A' ' 375' ' ' TYR . 97.6 mt -114.22 -1.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 74.02 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.92 -47.98 2.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.24 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.94 -6.56 18.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 71.04 111.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -99.44 -33.74 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.5 110.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.547 ' HA ' HD12 ' A' ' 368' ' ' LEU . 24.0 mt -65.51 -63.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.24 109.29 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 64.13 109.359 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.29 -38.8 49.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 61.05 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.614 ' O ' HD12 ' A' ' 398' ' ' ILE . 3.4 m -79.38 -18.39 52.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 63.54 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 3.0 mm? -93.6 -28.22 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 73.31 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 41.2 m -90.92 -20.54 22.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 73.22 109.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 399' ' ' GLU . 79.3 m-20 -84.22 -51.91 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 73.51 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 394' ' ' THR . 52.5 mt -44.81 -27.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 75.43 109.25 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.5 OUTLIER -75.85 -57.88 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 71.52 110.254 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 400' ' ' ARG . 4.8 ptp180 -66.62 -9.39 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.35 110.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.928 HD21 ' OE2' ' A' ' 357' ' ' GLU . 4.2 mt -89.91 -67.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 74.25 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' A' ' 358' ' ' LEU . 6.4 ptmt -49.92 -46.23 51.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 71.24 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -45.77 -48.67 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 74.01 109.331 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.503 ' HG3' HH21 ' A' ' 354' ' ' ARG . 43.4 mm-40 -68.29 -31.81 71.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 74.24 110.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.494 ' HA ' ' CD2' ' A' ' 351' ' ' LEU . 62.3 t -73.42 -5.09 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 71.51 109.284 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -99.38 -58.4 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 62.22 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.3 ptpp? -45.78 -43.57 13.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 72.23 109.26 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.772 ' CB ' HD23 ' A' ' 351' ' ' LEU . 4.5 m-85 -63.14 -59.33 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.42 110.955 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.54 -20.59 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.2 110.289 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.37 -24.1 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 64.11 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.685 ' HE3' HD23 ' A' ' 347' ' ' LEU . 43.5 m0 -69.3 -40.67 77.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.956 -1.127 . . . . 75.22 107.956 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.945 HD11 ' HG3' ' A' ' 348' ' ' GLN . 4.1 mm? -40.47 -44.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.12 109.331 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.05 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 73.41 109.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.84 -15.1 62.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 75.04 110.278 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -102.05 -57.65 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 60.44 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 419' ' ' VAL . 6.7 mt-10 -49.21 -34.0 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 71.12 110.319 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 38.3 t -42.66 -35.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 71.25 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -62.06 -44.31 96.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 73.11 110.307 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.51 HG22 ' HB2' ' A' ' 340' ' ' PRO . 40.7 t -64.94 -61.31 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 61.32 109.263 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.6 mt -45.45 -54.9 6.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 73.21 109.332 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 3.4 t -44.73 -53.09 7.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 71.32 109.971 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -72.04 103.59 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 62.15 109.301 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -128.72 179.12 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 74.45 110.309 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -173.9 53.46 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 43.12 110.963 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . 0.41 ' OD2' ' N ' ' A' ' 425' ' ' ASP . 1.3 m-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 71.45 109.308 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.072 -0.811 . . . . 71.22 111.072 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 62.54 111.014 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -92.43 166.3 12.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 75.02 109.629 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 12.9 tpt -151.53 157.63 42.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 71.12 111.039 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 23.1 p -131.48 158.55 40.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 72.31 110.404 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.99 67.61 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 72.4 110.312 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . 0.586 ' C ' ' CD1' ' A' ' 335' ' ' PHE . 0.3 OUTLIER 46.98 32.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 70.21 109.335 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 334' ' ' ASP . 0.2 OUTLIER 37.5 30.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 75.14 110.988 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 334' ' ' ASP . 2.1 p -104.92 8.74 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 55.32 110.017 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -113.22 -1.78 14.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 75.45 109.626 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.413 HD11 ' CB ' ' A' ' 335' ' ' PHE . 0.4 OUTLIER -116.45 163.7 21.04 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 73.14 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.68 14.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 65.42 110.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' A' ' 419' ' ' VAL . 18.5 Cg_endo -74.91 0.05 9.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 54.45 111.073 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -92.3 -32.59 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 75.53 110.353 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.21 -18.08 18.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 74.21 110.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -69.27 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 73.14 110.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 10.3 ptm180 -70.79 -19.99 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 42.23 110.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -65.3 -44.19 88.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 63.12 109.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 346' ' ' ARG . 0.4 OUTLIER -59.1 -66.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 73.41 110.256 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 411' ' ' TRP . 3.3 mt -34.6 -67.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 62.43 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.766 ' CG ' HD11 ' A' ' 412' ' ' LEU . 77.2 mt-30 -40.49 -55.13 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 64.42 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -52.82 -62.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 72.34 110.324 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.38 -17.08 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 64.02 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 1.026 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.6 tt -68.64 -51.91 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 54.24 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 17.5 tt0 -64.4 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 61.5 110.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.69 -48.9 70.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 73.11 110.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.966 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.9 tpt180 -66.2 -37.47 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 72.44 110.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.7 t -76.39 -2.5 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.14 110.018 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 3.0 mmt-85 -98.24 -20.32 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 72.21 110.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.709 ' OE2' HD21 ' A' ' 401' ' ' LEU . 5.4 pt-20 -102.16 -16.47 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 72.22 110.3 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.95 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -75.24 -52.23 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 72.33 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -63.87 -13.18 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 74.13 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -89.2 -34.04 16.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 72.11 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 365' ' ' ARG . 9.1 mm-40 -82.17 -29.79 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.32 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 3.1 t -79.16 -33.9 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 72.03 109.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.88 -31.74 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 52.22 109.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 7.0 pt20 -103.92 -22.78 13.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.41 110.311 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.71 ' NH1' HD11 ' A' ' 395' ' ' LEU . 0.0 OUTLIER -38.73 -51.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 73.35 110.299 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.08 -23.94 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.41 110.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -68.66 -22.94 64.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 52.24 109.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 391' ' ' ILE . 12.3 mt -57.62 -53.76 54.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 74.53 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -54.0 -31.31 50.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 52.24 109.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.928 ' O ' HG13 ' A' ' 374' ' ' VAL . 18.9 mtmt -72.06 -38.08 69.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 72.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.656 ' O ' HG22 ' A' ' 374' ' ' VAL . 60.1 mmm -62.16 -12.02 17.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 35.24 111.001 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.556 ' HD2' HD11 ' A' ' 391' ' ' ILE . 1.1 mtpm? -88.58 -54.84 3.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 72.12 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -51.2 -40.89 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 70.23 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.928 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.4 m -53.48 -33.35 21.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.03 109.315 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.815 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.5 m-30 -92.21 -23.11 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.22 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.45 -26.4 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 53.35 110.294 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -36.64 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 70.33 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.851 HG22 ' HG2' ' A' ' 380' ' ' GLN . 8.3 m -128.49 87.99 53.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 73.11 110.37 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.28 9.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 62.51 111.06 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.851 ' HG2' HG22 ' A' ' 378' ' ' THR . 3.0 pt20 -77.8 -6.8 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 72.41 110.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.421 ' CE ' ' HB ' ' A' ' 378' ' ' THR . 9.8 mtt -89.61 -51.15 5.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 71.41 111.022 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.603 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -167.8 -149.82 6.26 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.49 1.119 . . . . 75.44 110.987 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.43 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 1.7 t0 -134.95 139.75 33.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 73.41 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 74.3 110.976 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.9 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.235 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 19.3 m -99.92 8.04 44.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.42 109.995 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 391' ' ' ILE . 14.1 mt -116.19 -0.51 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.44 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.6 mt-10 -79.5 -48.33 1.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.22 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -7.83 19.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 53.11 111.012 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.473 ' HG2' HD13 ' A' ' 368' ' ' LEU . 7.0 tt0 -98.94 -34.73 10.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 64.51 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 387' ' ' LEU . 10.8 mt -64.54 -62.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.43 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.17 -21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 54.31 109.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.76 -38.48 46.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.22 110.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.727 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.5 m -79.82 -18.48 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 72.33 110.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.71 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.2 mm? -92.56 -27.89 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 65.31 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 28.4 t -94.19 -7.03 43.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 62.31 109.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -100.0 -32.37 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 62.34 109.361 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 394' ' ' THR . 31.0 mt -66.75 -25.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 71.53 109.374 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.514 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -77.46 -23.43 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 74.45 110.318 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 8.4 mtp180 -96.45 -27.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.41 110.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.999 ' O ' HG23 ' A' ' 405' ' ' VAL . 51.0 mt -65.15 -72.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 74.23 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 10.5 ptmt -49.3 -47.34 47.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 61.43 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.1 mm? -52.01 -50.5 61.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 72.04 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.628 ' HG3' HH21 ' A' ' 354' ' ' ARG . 38.0 mm-40 -65.56 -30.83 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 53.51 110.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 401' ' ' LEU . 9.6 t -78.93 -4.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 75.54 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 407' ' ' LYS . 15.2 mt-30 -98.83 -58.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 64.11 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -40.48 -46.85 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 70.51 109.257 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.4 m-85 -60.53 -60.02 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.15 111.027 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 1.026 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.3 mt-10 -54.19 -19.15 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 72.05 110.354 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.23 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 51.04 109.337 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.1 m0 -74.88 -40.2 61.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 70.21 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.766 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.9 mm? -38.38 -43.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 55.21 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.54 -41.6 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 62.3 109.31 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -61.44 -15.53 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 51.15 110.258 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.93 -68.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 70.14 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.499 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 37.4 mt-10 -38.83 -42.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 74.43 110.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 12.4 t -41.16 -49.64 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 72.43 109.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -56.7 -41.09 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 53.44 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 416' ' ' GLU . 47.9 t -60.78 -66.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 53.33 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 mt -48.33 -33.03 8.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 75.34 109.288 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 54.0 m -92.12 34.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 72.31 109.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 419' ' ' VAL . 31.6 m-20 -150.69 123.85 8.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 75.23 109.256 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.13 -178.25 5.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.153 . . . . 61.03 110.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -116.46 102.01 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 60.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 73.21 109.318 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.036 -0.826 . . . . 71.13 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.04 18.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 74.33 111.026 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -76.46 -41.51 47.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 52.2 109.564 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . 0.429 ' HA ' ' NH2' ' A' ' 346' ' ' ARG . 3.2 mtp -40.57 145.35 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 65.21 111.05 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.738 HG23 ' CZ ' ' A' ' 346' ' ' ARG . 4.0 p -66.57 -168.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 52.44 110.39 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -130.73 -76.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 63.01 110.317 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.37 122.23 45.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 63.14 109.292 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.49 ' CB ' HD11 ' A' ' 338' ' ' LEU . 0.1 OUTLIER -115.13 14.27 16.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 73.4 111.043 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 59.3 p -92.72 5.2 51.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 72.22 109.97 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -121.26 12.07 10.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 75.14 109.607 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.49 HD11 ' CB ' ' A' ' 335' ' ' PHE . 0.3 OUTLIER -129.83 162.71 51.86 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 75.24 109.309 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.96 13.6 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 73.31 111.047 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.77 ' HG2' HG22 ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.01 -5.67 17.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 73.34 111.029 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.15 -37.05 34.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 71.23 110.3 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -98.28 -13.56 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 72.41 110.315 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.49 ' HB2' HD12 ' A' ' 338' ' ' LEU . 41.0 tt0 -86.29 -46.96 9.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 62.54 110.323 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.829 ' NH2' HD12 ' A' ' 412' ' ' LEU . 3.5 ptm85 -59.1 -22.39 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 71.54 110.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 346' ' ' ARG . 0.5 OUTLIER -64.02 -42.01 97.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 64.04 109.299 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.738 ' CZ ' HG23 ' A' ' 332' ' ' THR . 20.2 mmm180 -55.67 -59.44 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 73.51 110.3 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.829 HD22 ' HE3' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -36.07 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 62.44 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.632 ' HG2' HD11 ' A' ' 412' ' ' LEU . 27.2 mt-30 -38.01 -57.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 73.25 110.335 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -47.78 -64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 73.02 110.287 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 408' ' ' TYR . 29.6 mm-40 -60.73 -15.96 34.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 75.2 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.718 HD11 ' HG2' ' A' ' 409' ' ' GLU . 0.9 OUTLIER -73.02 -38.41 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 72.51 109.296 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -89.79 -6.28 56.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 74.42 110.271 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -96.27 -42.47 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 73.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.95 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.5 tpt180 -68.71 -39.35 80.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 75.34 110.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 9.7 p -76.04 -4.59 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 53.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -89.84 -29.96 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 73.1 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.599 ' HG3' HD22 ' A' ' 401' ' ' LEU . 4.2 pt-20 -98.04 -20.95 17.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 75.14 110.325 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.846 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.2 OUTLIER -65.61 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.04 109.293 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 43.7 tp60 -45.94 -26.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 54.3 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -71.86 -61.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 74.43 109.283 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 361' ' ' GLU . 0.2 OUTLIER -50.5 -41.88 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 74.0 110.318 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.756 HG23 HG12 ' A' ' 398' ' ' ILE . 3.0 t -75.14 -36.41 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 73.25 109.314 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.2 OUTLIER -58.51 -41.55 85.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 65.51 109.277 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.675 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 8.0 pt20 -92.7 -23.11 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 72.1 110.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.806 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.1 OUTLIER -38.99 -54.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 63.34 110.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -80.23 -22.94 41.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 73.55 110.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -69.66 -23.81 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 53.21 109.303 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.531 HD22 HE21 ' A' ' 390' ' ' GLN . 15.9 mt -56.56 -52.51 64.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 65.13 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . 0.418 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 1.6 mtpm? -53.04 -30.08 33.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 65.21 109.273 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.915 ' O ' HG13 ' A' ' 374' ' ' VAL . 21.5 mtpt -81.79 -31.56 31.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 64.22 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.584 ' O ' HG22 ' A' ' 374' ' ' VAL . 57.8 mmm -69.47 -6.79 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 75.44 111.037 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.6 mtpt -90.93 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 52.35 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 15.1 t0 -50.42 -41.4 52.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 75.25 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.915 HG13 ' O ' ' A' ' 370' ' ' LYS . 9.5 m -50.66 -35.12 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 75.21 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.812 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.7 m-30 -90.11 -32.58 16.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 74.42 110.985 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -57.06 -27.73 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 61.43 110.338 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.1 OUTLIER -114.12 -35.04 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 64.02 109.33 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.455 ' O ' ' CG ' ' A' ' 381' ' ' MET . 55.0 m -132.03 69.06 80.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 71.14 110.43 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . 0.485 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.27 7.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 62.11 110.998 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -72.68 -3.99 28.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 64.44 110.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.455 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.84 -4.24 11.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.21 111.004 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 169.14 175.55 38.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 63.23 110.996 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.08 142.63 41.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 60.45 109.276 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.64 10.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.44 111.012 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.33 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.34 109.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 3.8 t -100.04 8.96 43.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 41.33 110.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.733 ' O ' HD12 ' A' ' 391' ' ' ILE . 96.0 mt -114.27 -2.4 13.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 53.4 109.342 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.7 mt-10 -78.03 -47.97 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 75.01 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.09 -6.75 18.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 73.51 110.958 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.531 HE21 HD22 ' A' ' 368' ' ' LEU . 30.3 tt0 -98.24 -34.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 64.4 110.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 387' ' ' LEU . 7.4 mt -61.57 -65.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 61.14 109.265 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.56 -18.81 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 71.43 109.338 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.416 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 11.6 tt0 -78.48 -36.71 44.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 62.11 110.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.496 ' OG1' HD11 ' A' ' 368' ' ' LEU . 4.5 m -68.79 -43.8 74.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 61.34 110.398 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.1 -48.82 80.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 55.1 109.286 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 19.2 m -69.88 -21.69 63.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 61.44 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.784 ' O ' HD12 ' A' ' 401' ' ' LEU . 89.7 m-20 -90.55 -13.76 33.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 74.44 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.806 HD11 ' HB2' ' A' ' 365' ' ' ARG . 13.2 mt -87.43 -29.35 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.11 109.291 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.57 -17.91 34.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 61.45 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.9 ptp180 -92.06 -7.87 47.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 63.22 110.346 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 1.021 ' O ' HG23 ' A' ' 405' ' ' VAL . 12.4 mt -96.74 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 62.25 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.565 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.0 OUTLIER -45.54 -52.83 9.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 72.13 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.69 -52.2 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 53.21 109.296 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.495 ' HG3' HH21 ' A' ' 354' ' ' ARG . 64.2 mm-40 -66.75 -27.99 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 62.01 110.267 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 401' ' ' LEU . 11.3 t -77.7 -5.08 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 15.41 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -98.89 -58.55 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.13 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.26 -43.23 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 75.41 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 350' ' ' GLN . 9.0 m-85 -62.25 -60.16 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.53 110.981 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.718 ' HG2' HD11 ' A' ' 351' ' ' LEU . 9.1 mm-40 -54.02 -19.76 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 65.45 110.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.52 -21.01 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.44 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.829 ' HE3' HD22 ' A' ' 347' ' ' LEU . 42.3 m0 -73.25 -42.29 62.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 73.12 107.99 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.829 HD12 ' NH2' ' A' ' 344' ' ' ARG . 4.5 mm? -40.53 -43.41 1.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 54.2 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.91 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 54.24 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.3 mm-40 -65.02 -14.27 59.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 74.42 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.6 -65.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 62.32 109.28 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.521 ' CG ' ' NH1' ' A' ' 344' ' ' ARG . 0.2 OUTLIER -38.85 -57.14 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 74.25 110.298 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 t -43.6 -48.75 7.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 73.42 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.34 -44.45 84.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 61.3 110.291 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.77 HG22 ' HG2' ' A' ' 340' ' ' PRO . 67.0 t -55.2 -73.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 70.11 109.305 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.9 mt -43.87 -57.45 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 71.33 109.31 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 423' ' ' ARG . 2.7 m -39.51 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 62.1 110.027 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -45.67 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 51.32 109.26 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 421' ' ' SER . 6.1 ptm180 -82.29 132.56 35.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.31 110.329 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -126.2 26.67 5.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 52.3 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 28.6 t0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 74.01 109.329 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.035 -0.826 . . . . 64.12 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -86.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 74.2 111.049 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -94.25 -77.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 70.4 109.567 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.78 146.51 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 74.41 110.97 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 13.1 t -82.1 -178.63 7.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 70.52 110.381 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -106.22 -51.47 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 72.45 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -118.01 146.62 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 74.13 109.328 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.526 ' HA ' HD11 ' A' ' 338' ' ' LEU . 3.3 m-85 -93.46 30.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 65.42 111.019 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 34.6 p -117.69 -38.15 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 41.33 110.012 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -47.96 -33.54 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 75.42 109.584 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 335' ' ' PHE . 0.0 OUTLIER -80.15 174.35 6.27 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 71.41 109.31 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.04 15.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 72.44 110.936 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.497 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.1 Cg_endo -75.02 -3.33 13.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 61.12 111.004 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -82.27 -40.54 21.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 62.21 110.308 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 345' ' ' LYS . 9.5 mt-30 -90.68 -37.05 13.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 64.12 110.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -42.01 -29.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.53 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.847 ' NH2' HG21 ' A' ' 419' ' ' VAL . 7.3 ptp180 -87.23 -38.99 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 64.1 110.336 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.7 ptmt -59.79 -34.75 73.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 72.21 109.278 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 347' ' ' LEU . 11.2 mmt180 -63.1 -54.88 30.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 74.22 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.771 HD13 ' CB ' ' A' ' 411' ' ' TRP . 7.2 mt -39.69 -69.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 71.33 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.729 ' HG2' HD11 ' A' ' 412' ' ' LEU . 27.3 mt-30 -40.62 -65.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 75.23 110.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 352' ' ' GLU . 0.8 OUTLIER -41.81 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 65.4 110.331 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 408' ' ' TYR . 32.7 mm-40 -46.32 -25.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 72.52 110.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 1.063 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.0 OUTLIER -68.91 -45.59 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 75.4 109.285 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 349' ' ' GLN . 2.1 tt0 -69.1 -28.99 66.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.41 110.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -72.8 -57.37 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 64.43 110.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.726 ' HB3' HG23 ' A' ' 405' ' ' VAL . 22.2 mmt-85 -60.42 -31.74 70.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 74.03 110.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 41.5 t -78.51 -35.32 46.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 54.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -37.82 76.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 62.34 110.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.686 ' CG ' HD21 ' A' ' 401' ' ' LEU . 6.6 pt-20 -86.43 -6.47 58.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 72.31 110.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.953 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.0 OUTLIER -88.76 -41.87 12.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 74.35 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.635 ' N ' HD13 ' A' ' 358' ' ' LEU . 69.7 tp60 -66.06 -9.83 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.01 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 -12.8 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 72.33 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.57 -41.51 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.24 110.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.667 HG23 HG12 ' A' ' 398' ' ' ILE . 1.9 t -77.24 -19.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 74.33 109.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 2.9 t0 -76.76 -25.81 53.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 65.24 109.252 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.623 HE21 HD21 ' A' ' 368' ' ' LEU . 6.8 pt20 -105.35 -25.32 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 65.42 110.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.884 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -44.23 -37.69 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 65.33 110.287 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 365' ' ' ARG . 3.7 pt-20 -85.74 -25.89 26.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 74.45 110.25 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -67.04 -45.63 76.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 52.15 109.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.758 HD22 ' NE2' ' A' ' 390' ' ' GLN . 10.3 mt -40.1 -61.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.22 109.253 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -45.76 -41.51 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 53.44 109.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.946 ' O ' HG13 ' A' ' 374' ' ' VAL . 21.7 mtmt -65.66 -39.97 91.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.02 109.277 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.687 ' O ' HG22 ' A' ' 374' ' ' VAL . 38.5 mmm -60.47 -13.38 13.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 74.24 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.73 ' HD2' HD11 ' A' ' 391' ' ' ILE . 16.2 mtpt -88.41 -54.53 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 45.43 109.235 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.9 t0 -51.55 -40.5 59.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 71.11 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.946 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.4 m -53.26 -33.05 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 73.02 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.902 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.8 m-30 -92.73 -23.72 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 70.01 111.011 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.15 -27.35 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 73.32 110.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 1.1 ptmt -113.89 -35.59 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.53 109.302 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.856 HG22 ' HG2' ' A' ' 380' ' ' GLN . 7.8 m -127.98 86.24 58.65 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.54 110.383 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 70.13 111.029 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.856 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.9 pt20 -81.38 -2.46 49.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 64.44 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . . . . . . . . . 7.5 mtt -89.75 -50.67 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 50.45 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.458 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -166.61 -141.02 3.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 70.14 111.023 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -139.46 132.91 15.62 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 72.11 109.279 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.45 11.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 63.32 111.057 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 64.11 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 29.7 t -99.69 4.87 45.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 63.23 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.902 HD11 ' CE2' ' A' ' 375' ' ' TYR . 19.1 mt -110.54 -2.84 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 74.21 109.32 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -78.01 -47.96 2.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 71.52 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.04 -5.77 17.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 42.03 110.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.758 ' NE2' HD22 ' A' ' 368' ' ' LEU . 23.0 tt0 -99.38 -32.03 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.2 110.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.73 HD11 ' HD2' ' A' ' 372' ' ' LYS . 8.5 mt -66.08 -71.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 72.43 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 391' ' ' ILE . . . -47.77 -24.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 54.33 109.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 7.8 tt0 -72.91 -40.59 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 72.21 110.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 391' ' ' ILE . 89.5 m -75.9 -46.42 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 72.43 110.39 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.476 HD23 HG23 ' A' ' 391' ' ' ILE . 3.7 mm? -56.86 -53.37 58.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.42 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 11.4 t -63.73 -23.19 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 71.51 110.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 58.5 m-20 -84.76 -20.63 30.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 73.21 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.884 HD11 ' HB3' ' A' ' 365' ' ' ARG . 38.2 mt -79.57 -47.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 75.25 109.244 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.7 OUTLIER -62.79 -36.08 81.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 74.33 110.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptp180 -79.97 -7.16 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 71.55 110.299 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.953 HD13 ' HA ' ' A' ' 358' ' ' LEU . 3.6 mt -96.77 -75.13 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 71.04 109.29 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.405 ' HD2' HG22 ' A' ' 398' ' ' ILE . 3.4 ptmm? -40.21 -42.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 64.42 109.289 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.3 OUTLIER -52.52 -51.61 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 74.42 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.7 mm-40 -64.03 -32.05 73.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.41 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.726 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.0 t -76.94 -5.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 71.21 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -99.29 -58.01 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.13 110.287 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -43.04 -44.94 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 63.04 109.3 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 350' ' ' GLN . 8.4 m-85 -61.51 -56.8 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 72.44 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 1.063 ' CG ' HD11 ' A' ' 351' ' ' LEU . 5.2 mt-10 -53.91 -21.61 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.21 110.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.49 -20.73 16.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 61.24 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.771 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.7 m0 -74.18 -38.87 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 71.03 108.028 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.729 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.4 mm? -39.73 -44.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 74.33 109.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 417' ' ' SER . . . -78.84 -40.9 31.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 73.51 109.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.8 mm-40 -62.16 -16.07 50.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 72.43 110.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.14 -68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.54 109.27 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 419' ' ' VAL . 8.8 mt-10 -42.36 -50.12 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 61.44 110.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 413' ' ' ALA . 38.8 t -42.52 -53.99 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 73.03 110.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -53.29 -35.22 59.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 74.51 110.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.847 HG21 ' NH2' ' A' ' 344' ' ' ARG . 35.0 t -70.64 -57.79 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 65.14 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 419' ' ' VAL . 60.1 mt -40.29 -54.21 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 61.41 109.342 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.7 m -167.7 97.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.34 109.988 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . 0.487 ' H ' ' ND2' ' A' ' 422' ' ' ASN . 0.9 OUTLIER -57.55 165.81 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 75.51 109.304 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -80.78 -177.52 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 70.23 110.344 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 178.0 -73.68 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 63.33 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.536 0.786 . . . . 65.23 109.316 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . 0.406 ' N ' ' HD3' ' A' ' 329' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.0 -0.84 . . . . 70.42 111.0 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 328' ' ' GLY . 18.2 Cg_endo -75.03 -76.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 65.55 111.035 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -148.69 177.05 9.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 71.33 109.607 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 17.2 mtp -106.95 151.38 25.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 74.35 110.996 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 4.4 t -88.4 -172.06 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 72.25 110.421 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -100.65 -61.4 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 64.52 110.251 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -110.36 136.18 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 73.04 109.343 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 335' ' ' PHE . 0.2 OUTLIER -127.49 16.14 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 70.21 111.046 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 8.18 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.43 109.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -117.57 -6.66 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 74.44 109.594 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.793 ' N ' HD23 ' A' ' 338' ' ' LEU . 0.1 OUTLIER -79.03 170.95 13.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.33 109.318 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.37 14.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 71.53 111.05 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.27 9.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.811 . . . . 75.32 111.021 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . 0.725 ' HG3' HG11 ' A' ' 419' ' ' VAL . 13.3 tt0 -96.62 -25.49 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.21 110.322 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 345' ' ' LYS . 29.2 mm100 -97.65 -44.98 6.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 71.2 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -42.91 -39.34 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 61.22 110.265 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 412' ' ' LEU . 0.4 OUTLIER -76.45 -36.25 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 54.52 110.332 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 342' ' ' GLN . 5.0 tppt? -54.16 -30.37 49.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 75.25 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.512 ' CD ' ' CB ' ' A' ' 335' ' ' PHE . 5.3 mtp85 -77.23 -37.39 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 64.43 110.248 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' A' ' 411' ' ' TRP . 46.5 mt -54.47 -55.04 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 74.32 109.284 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.697 ' CG ' HD11 ' A' ' 412' ' ' LEU . 31.8 mt-30 -45.14 -38.83 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 41.43 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -70.88 -54.46 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 75.21 110.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.41 -13.77 52.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 72.35 110.352 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.879 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.2 tt -72.0 -58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 71.32 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.37 -27.69 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 70.3 110.285 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.27 -62.07 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.32 110.331 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.935 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.6 tpt180 -48.63 -37.2 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.13 110.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.7 t -70.48 -46.98 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -45.86 -34.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 64.11 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 361' ' ' GLU . 3.6 mm-40 -90.07 -34.28 15.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 70.14 110.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 358' ' ' LEU . 0.6 OUTLIER -53.51 -51.75 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.02 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 40.8 tp60 -63.07 -29.87 71.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 73.4 110.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -65.97 -53.8 34.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.52 109.327 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 361' ' ' GLU . 0.3 OUTLIER -64.54 -39.28 93.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 72.14 110.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.844 HG23 HG12 ' A' ' 398' ' ' ILE . 1.6 t -76.27 -19.63 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.31 109.315 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.7 OUTLIER -76.38 -26.4 55.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.01 109.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.545 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 4.4 pt20 -104.91 -24.65 12.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 65.22 110.273 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.851 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.47 -36.84 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 72.23 110.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.3 pt-20 -91.84 -22.57 20.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 72.1 110.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -78.4 -18.6 54.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 65.53 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.539 HD11 ' OG1' ' A' ' 394' ' ' THR . 7.1 mt -57.91 -57.08 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 74.24 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -48.48 -34.25 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 63.14 109.274 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 1.006 ' O ' HG13 ' A' ' 374' ' ' VAL . 10.3 mtmm -76.71 -36.83 56.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 52.35 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.553 ' O ' HG22 ' A' ' 374' ' ' VAL . 50.0 mmm -61.68 -11.9 13.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.11 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.464 ' CE ' HD11 ' A' ' 391' ' ' ILE . 21.0 mtpt -91.55 -56.42 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 75.32 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 20.5 t0 -50.74 -40.68 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 62.33 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 1.006 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.8 m -52.05 -35.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 54.44 109.269 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.786 ' CD1' HG23 ' A' ' 374' ' ' VAL . 21.1 m-30 -89.23 -31.07 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 74.42 111.069 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.21 -28.48 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 73.23 110.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.3 OUTLIER -113.7 -34.35 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 72.54 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 380' ' ' GLN . 6.5 m -131.69 67.59 79.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 72.33 110.413 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.0 1.33 7.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 54.5 111.015 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.476 ' HG2' HG22 ' A' ' 378' ' ' THR . 4.1 pt20 -72.9 -3.8 28.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 74.22 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.64 -4.55 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 64.53 110.975 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.91 170.19 32.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 44.23 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.42 142.75 31.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 70.02 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.38 11.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 64.44 110.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.54 -14.33 57.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.23 109.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.8 m -101.02 8.95 42.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.31 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.762 HD11 ' CE2' ' A' ' 375' ' ' TYR . 87.8 mt -115.35 -1.28 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 73.14 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.27 -47.86 2.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 63.3 110.342 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.94 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 74.02 111.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -99.45 -34.41 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 61.54 110.34 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 368' ' ' LEU . 20.8 mt -60.46 -60.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.31 109.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.01 -16.54 31.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 44.21 109.316 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.87 -34.52 24.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 53.33 110.292 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.539 ' OG1' HD11 ' A' ' 368' ' ' LEU . 16.0 m -77.11 -42.71 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.52 110.356 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.01 -44.15 93.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 74.04 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 16.2 m -74.16 -19.72 60.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 33.34 110.023 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.884 ' O ' HD12 ' A' ' 401' ' ' LEU . 35.5 m-20 -87.25 -16.04 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 73.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.851 HD11 ' HB3' ' A' ' 365' ' ' ARG . 20.0 mt -87.62 -44.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 61.41 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.836 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -68.37 -23.06 64.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.04 110.298 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.6 ptm180 -88.95 -37.85 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 73.11 110.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 397' ' ' ASN . 2.7 mt -67.96 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 73.21 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 358' ' ' LEU . 10.6 ptmt -48.07 -42.47 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 73.41 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.9 mm? -58.09 -47.92 81.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 65.11 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.714 ' HG3' HH21 ' A' ' 354' ' ' ARG . 60.3 mm-40 -60.91 -29.13 69.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 72.22 110.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.935 HG22 ' HB3' ' A' ' 354' ' ' ARG . 2.2 t -90.81 -4.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 71.03 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -98.65 -13.25 20.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 72.13 110.306 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -91.69 -41.21 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 63.5 109.285 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 20.1 m-85 -61.03 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 74.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.879 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.7 mt-10 -54.1 -19.96 5.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 74.53 110.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.55 -21.23 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 55.21 109.274 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.63 -40.34 63.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 72.41 107.996 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.697 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -39.84 -43.2 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 72.25 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.97 -39.63 29.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 30.34 109.347 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.2 mm-40 -63.84 -15.45 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.32 110.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.77 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 62.13 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.462 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 3.2 mt-10 -38.82 -46.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 72.22 110.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 27.4 t -43.22 -49.63 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 75.24 109.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -57.09 -37.01 71.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 65.04 110.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.725 HG11 ' HG3' ' A' ' 341' ' ' GLU . 40.3 t -66.46 -59.11 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 54.51 109.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.14 -34.17 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 72.44 109.264 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 26.4 t -68.83 -52.2 32.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 52.42 109.991 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 423' ' ' ARG . 78.1 m-20 -73.11 72.41 1.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 64.4 109.267 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 422' ' ' ASN . 78.9 mtp180 37.47 40.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 73.25 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -81.83 5.5 70.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 73.44 111.007 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 74.14 109.312 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.967 -0.853 . . . . 71.13 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.51 1.795 . . . . 73.34 111.035 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.12 -175.45 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 64.01 109.598 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 14.0 ptm -117.12 172.77 7.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 72.43 110.961 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 2.2 p -62.54 -174.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 73.24 110.379 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -126.43 -151.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.32 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.88 102.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.14 109.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 346' ' ' ARG . 43.5 p90 -101.2 11.67 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 63.23 111.012 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 41.3 m -103.84 19.94 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 73.14 109.975 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -134.88 10.42 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 73.42 109.597 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 1.022 HD22 ' NE2' ' A' ' 342' ' ' GLN . 0.3 OUTLIER -117.95 164.9 17.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 72.31 109.304 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 74.42 111.023 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.711 ' CB ' ' HB1' ' A' ' 415' ' ' ALA . 18.4 Cg_endo -74.91 1.12 8.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 74.35 111.055 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -81.33 -50.43 9.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 53.34 110.289 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 1.022 ' NE2' HD22 ' A' ' 338' ' ' LEU . 0.0 OUTLIER -98.13 -4.37 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 71.05 110.297 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 338' ' ' LEU . 50.4 tt0 -89.18 -35.06 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 75.22 110.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.498 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.0 ptm180 -70.01 -6.09 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.31 110.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -77.2 -44.95 28.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.1 109.271 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 335' ' ' PHE . 7.4 ptm180 -69.52 -34.89 74.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 65.34 110.323 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 411' ' ' TRP . 17.1 mt -52.13 -71.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 53.41 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.737 ' CG ' HD11 ' A' ' 412' ' ' LEU . 44.1 mt-30 -41.03 -46.52 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.13 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.411 ' C ' ' N ' ' A' ' 351' ' ' LEU . 37.4 mt-30 -57.36 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.5 110.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -44.96 -25.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 62.42 110.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.812 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.7 tt -58.26 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 62.15 109.308 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.76 -46.41 64.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 71.23 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -57.86 -39.35 77.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.25 110.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.967 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.3 tpt180 -67.62 -27.74 67.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 71.03 110.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 35.8 t -94.62 -5.89 44.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.11 109.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -85.95 -28.13 24.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 71.45 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.824 ' OE2' HD21 ' A' ' 401' ' ' LEU . 0.5 OUTLIER -100.07 -18.04 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 74.23 110.326 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.972 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.3 tt -64.74 -60.49 3.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 74.42 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 53.8 tp60 -49.45 -26.14 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 65.34 110.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -66.7 -49.15 67.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 72.02 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.514 ' OE1' HD11 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -68.71 -42.05 78.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 70.41 110.329 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.826 HG23 HG12 ' A' ' 398' ' ' ILE . 2.3 t -72.93 -24.15 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 64.45 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.5 OUTLIER -65.98 -33.94 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.1 109.285 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.729 HE21 HD21 ' A' ' 368' ' ' LEU . 9.0 pt20 -104.03 -18.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 72.15 110.3 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.738 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.66 -44.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 72.3 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.72 -25.37 26.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.1 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -61.17 -40.95 95.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 51.54 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.729 HD21 HE21 ' A' ' 364' ' ' GLN . 5.0 mt -50.58 -54.35 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 63.21 109.325 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -49.54 -24.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 75.21 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 1.003 ' O ' HG13 ' A' ' 374' ' ' VAL . 18.6 mtmm -91.24 -31.06 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.31 109.366 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.599 ' O ' ' CE2' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -63.5 -10.39 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 73.22 111.013 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 375' ' ' TYR . 0.0 OUTLIER -94.36 -59.03 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.25 109.292 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 7.5 t70 -47.91 -34.07 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 70.11 109.331 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 1.003 HG13 ' O ' ' A' ' 370' ' ' LYS . 18.1 m -60.05 -39.58 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 62.41 109.287 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.68 ' CD1' HG23 ' A' ' 374' ' ' VAL . 17.5 m-85 -85.58 -19.89 30.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 70.54 110.981 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.9 -31.15 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 65.31 110.304 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -113.0 -34.4 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 52.31 109.285 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.824 HG22 ' HG2' ' A' ' 380' ' ' GLN . 33.9 m -126.61 86.12 59.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.22 110.396 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.58 8.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 62.2 111.046 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.824 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.1 pt20 -79.0 2.41 20.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 71.34 110.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 9.9 mtm -103.17 -47.87 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 74.3 111.022 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.654 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -176.19 -157.68 17.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 75.12 111.012 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.503 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 33.2 m-20 -122.0 141.3 33.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.753 . . . . 74.34 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.2 Cg_endo -75.01 -27.58 9.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 73.11 110.992 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -73.79 -4.58 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.34 109.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 27.0 t -97.78 7.18 46.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.5 109.992 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 391' ' ' ILE . 1.4 mt -115.9 -0.34 12.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 70.42 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.6 OUTLIER -74.05 -45.93 6.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.23 110.318 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.56 21.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 71.12 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.404 ' HG2' HD13 ' A' ' 368' ' ' LEU . 16.8 tt0 -99.49 -33.28 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 75.23 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 387' ' ' LEU . 11.2 mt -64.78 -59.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 41.14 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.09 -17.02 22.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 65.35 109.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.66 -35.25 30.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 64.11 110.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.492 HG21 ' HA ' ' A' ' 365' ' ' ARG . 2.4 m -70.28 -42.92 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.31 110.391 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 395' ' ' LEU . 4.0 mm? -61.41 -54.61 41.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 73.01 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . 0.416 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 1.1 m -64.44 -19.44 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 72.24 109.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.835 ' O ' HD12 ' A' ' 401' ' ' LEU . 68.7 m-20 -91.84 -12.21 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 62.51 109.285 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.826 HG12 HG23 ' A' ' 362' ' ' VAL . 15.7 mt -93.7 -34.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 71.03 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.3 OUTLIER -79.73 -23.15 42.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 75.14 110.292 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.5 ptm180 -91.45 -7.14 51.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 75.45 110.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.996 ' O ' HG23 ' A' ' 405' ' ' VAL . 9.2 mt -96.65 -61.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 55.3 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.498 ' HB3' HD11 ' A' ' 358' ' ' LEU . 7.8 ptmm? -53.64 -52.85 58.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 74.13 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 402' ' ' LYS . 0.5 OUTLIER -45.32 -51.41 11.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 65.42 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.726 ' HG3' HH21 ' A' ' 354' ' ' ARG . 72.5 mm-40 -61.83 -32.51 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 74.21 110.33 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 401' ' ' LEU . 11.2 t -77.69 -5.1 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 63.24 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.26 -58.0 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 62.25 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -41.84 -44.95 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 74.44 109.287 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 12.5 m-85 -60.7 -60.51 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.3 110.983 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.812 ' CG ' HD11 ' A' ' 351' ' ' LEU . 6.8 mt-10 -54.1 -19.22 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 54.41 110.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.5 -20.96 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 62.41 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -74.72 -40.9 61.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 73.04 108.037 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.737 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.0 mm? -39.43 -42.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 75.3 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.76 -40.97 24.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.21 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.446 ' O ' ' NE ' ' A' ' 418' ' ' ARG . 0.8 OUTLIER -62.22 -15.85 49.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.22 110.339 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.711 ' HB1' ' CB ' ' A' ' 340' ' ' PRO . . . -104.88 -65.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 72.24 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.498 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.5 mt-10 -40.28 -49.72 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 74.45 110.349 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.9 t -39.21 -51.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.51 110.015 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 2.9 mpt_? -71.49 -47.75 53.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.42 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 422' ' ' ASN . 57.8 t -40.68 -66.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 71.01 109.272 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 mt -42.53 -37.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 75.52 109.295 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 418' ' ' ARG . 1.1 m -66.68 -45.67 78.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 45.14 109.995 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 419' ' ' VAL . 1.9 p30 -118.24 99.49 6.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 63.42 109.341 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -133.72 142.92 48.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 73.45 110.273 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.88 -6.11 40.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 63.21 111.034 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 74.25 109.345 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 60.21 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.85 5.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 61.23 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.96 163.59 12.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 62.44 109.565 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 332' ' ' THR . 5.8 tmm? -101.89 150.32 23.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 65.34 111.017 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.437 ' N ' ' SD ' ' A' ' 331' ' ' MET . 1.3 t -73.75 -177.59 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 73.24 110.398 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 332' ' ' THR . 13.6 mp0 -151.41 117.55 5.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 71.42 110.301 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 333' ' ' GLU . 1.7 m-20 75.58 65.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 75.21 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 346' ' ' ARG . 19.0 m-85 -52.72 -24.3 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 51.42 111.027 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 14.3 p -73.58 -31.52 63.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.41 110.023 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -66.9 -10.34 47.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 73.45 109.627 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 335' ' ' PHE . 13.1 mt -78.14 158.03 77.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 73.21 109.29 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 173.9 13.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 63.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.416 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.2 Cg_endo -75.07 0.69 8.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 71.01 110.977 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -97.4 -31.97 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -98.05 -23.3 15.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 34.2 110.298 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -57.9 -33.97 69.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 75.5 110.312 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.495 ' NH2' ' NE2' ' A' ' 348' ' ' GLN . 6.7 ptm180 -86.74 -6.11 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 75.12 110.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.493 ' NZ ' ' NE2' ' A' ' 349' ' ' GLN . 4.0 tptt -82.71 -23.12 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 73.14 109.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 335' ' ' PHE . 18.8 ptt180 -86.8 -35.93 18.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 71.4 110.297 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.559 HD13 ' HB2' ' A' ' 411' ' ' TRP . 35.6 mt -55.08 -58.93 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 64.33 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.634 ' CG ' HD11 ' A' ' 412' ' ' LEU . 77.6 mt-30 -38.93 -61.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 75.32 110.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.493 ' NE2' ' NZ ' ' A' ' 345' ' ' LYS . 2.4 mp0 -53.72 -61.51 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 54.25 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.95 -20.76 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 73.31 110.325 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 1.041 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -70.49 -61.32 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 63.23 109.328 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -52.95 -20.25 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 74.21 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 356' ' ' ARG . 5.1 mm-40 -78.26 -69.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 65.04 110.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.786 ' HB3' HG23 ' A' ' 405' ' ' VAL . 8.6 mmt-85 -44.79 -26.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.42 110.25 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.434 ' HA ' HG21 ' A' ' 405' ' ' VAL . 1.8 p -85.13 -39.93 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 44.33 109.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 353' ' ' GLU . 13.3 mtp180 -61.26 -41.03 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.11 110.284 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.928 ' OE1' HD21 ' A' ' 401' ' ' LEU . 2.9 pt-20 -82.33 1.92 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 71.42 110.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.747 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.8 OUTLIER -86.97 -62.6 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.03 109.277 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 56.2 tp60 -51.13 -21.55 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 71.15 110.261 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -65.21 -55.98 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.45 109.308 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -68.28 -33.32 74.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 71.32 110.319 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.749 HG23 HG12 ' A' ' 398' ' ' ILE . 2.6 t -78.67 -18.07 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.22 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -79.71 -28.69 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 62.31 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.545 HE21 HD21 ' A' ' 368' ' ' LEU . 8.3 pt20 -103.23 -22.58 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 74.44 110.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.534 ' HA ' HG21 ' A' ' 394' ' ' THR . 0.5 OUTLIER -39.01 -62.92 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 71.21 110.275 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.68 -21.53 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 75.15 110.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -67.62 -35.11 78.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.34 109.348 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.545 HD21 HE21 ' A' ' 364' ' ' GLN . 17.0 mt -50.67 -44.05 57.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 60.1 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -54.27 -38.9 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.51 109.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.958 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.1 OUTLIER -70.05 -36.31 74.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 55.22 109.259 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.606 ' O ' HG22 ' A' ' 374' ' ' VAL . 56.6 mmm -63.33 -10.79 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 61.32 110.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.545 ' NZ ' ' CD1' ' A' ' 391' ' ' ILE . 14.6 mtpt -89.9 -55.33 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 75.03 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.34 -41.38 60.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 71.25 109.306 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.958 HG13 ' O ' ' A' ' 370' ' ' LYS . 6.1 m -51.42 -34.3 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.2 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.832 ' CD1' HG23 ' A' ' 374' ' ' VAL . 18.6 m-30 -91.28 -24.94 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 74.43 111.016 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.48 -27.72 68.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 72.42 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.9 -36.4 4.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 71.14 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.676 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.5 m -125.98 85.78 58.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 72.32 110.448 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.471 1.774 . . . . 70.44 110.987 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.676 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.6 pt20 -81.41 1.2 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 61.23 110.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.442 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 7.0 mtt -94.9 -48.99 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 73.32 111.013 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.87 -151.27 7.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.16 . . . . 63.11 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.99 134.0 25.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 73.54 109.335 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.55 9.94 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.789 . . . . 71.12 110.985 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.35 -18.92 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 73.31 109.295 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 8.1 t -92.22 7.25 43.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 60.55 110.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 375' ' ' TYR . 94.5 mt -108.71 -12.73 14.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 75.34 109.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -69.87 -46.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 64.34 110.271 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.01 -7.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.792 . . . . 72.25 110.988 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -99.57 -36.56 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 52.05 110.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.545 ' CD1' ' NZ ' ' A' ' 372' ' ' LYS . 20.9 mt -65.53 -58.71 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 74.04 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.56 -15.84 31.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 51.22 109.35 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -83.18 -33.86 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 71.53 110.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 365' ' ' ARG . 3.1 m -66.28 -47.56 73.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 65.34 110.422 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 395' ' ' LEU . 2.5 mm? -57.51 -55.46 34.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 74.21 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -28.04 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 52.1 110.037 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.602 ' O ' HD12 ' A' ' 401' ' ' LEU . 92.9 m-20 -86.12 -13.95 45.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.54 109.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.749 HG12 HG23 ' A' ' 362' ' ' VAL . 18.2 mt -88.16 -37.99 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 75.44 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.5 OUTLIER -76.45 -20.51 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 62.12 110.304 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.7 ptm180 -90.37 -8.05 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 64.02 110.308 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.928 HD21 ' OE1' ' A' ' 357' ' ' GLU . 7.7 mt -96.8 -63.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 55.43 109.306 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 358' ' ' LEU . 8.3 ptmt -51.7 -42.95 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.1 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.6 OUTLIER -51.91 -49.66 62.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 64.31 109.304 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 53.6 mm-40 -66.35 -30.66 71.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 63.11 110.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.786 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.4 t -77.03 -5.17 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 72.11 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -99.17 -58.21 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 71.25 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.604 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -42.67 -45.42 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 35.35 109.29 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.62 ' O ' HD23 ' A' ' 412' ' ' LEU . 8.4 m-85 -61.54 -57.18 13.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 74.43 111.002 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 1.041 ' CG ' HD11 ' A' ' 351' ' ' LEU . 7.1 mt-10 -54.72 -20.97 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.03 110.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.45 -20.24 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 70.04 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.64 -39.89 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.966 -1.124 . . . . 72.11 107.966 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -40.06 -42.76 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 75.31 109.309 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -39.41 28.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 62.21 109.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -63.99 -15.68 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.13 110.29 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.87 -61.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 64.24 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.469 ' HG2' ' CD ' ' A' ' 344' ' ' ARG . 27.6 mt-10 -38.68 -41.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 72.33 110.333 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -51.63 26.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 74.43 109.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -54.76 -33.07 60.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 74.41 110.25 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 54.9 t -73.38 -67.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 63.41 109.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 14.3 mt -40.63 -58.71 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 55.41 109.283 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 10.9 t -50.1 -52.89 31.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 74.52 109.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -70.66 93.24 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 72.22 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -115.58 162.5 17.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 72.31 110.298 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -106.25 76.29 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 63.22 111.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 70.53 109.293 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.952 -0.859 . . . . 71.23 110.952 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.83 40.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 72.11 110.997 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -139.82 169.3 17.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 75.31 109.586 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 35.6 mtp -143.25 144.17 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 73.45 110.976 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 27.8 p -83.69 -172.7 4.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 70.2 110.422 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -102.29 -20.69 14.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 63.24 110.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -169.07 118.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 61.41 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.532 ' CD1' ' HD3' ' A' ' 346' ' ' ARG . 7.0 m-85 -86.26 43.94 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 74.11 111.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 4.8 t -112.87 9.04 18.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 73.2 109.992 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -110.82 -10.47 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.33 109.579 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.542 HD13 ' NH1' ' A' ' 346' ' ' ARG . 0.1 OUTLIER -103.1 169.51 7.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 75.33 109.333 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 54.02 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.467 ' O ' ' NH1' ' A' ' 344' ' ' ARG . 18.2 Cg_endo -75.05 -32.44 5.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 53.41 111.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.57 -28.64 67.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 71.04 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -28.27 13.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.14 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.408 ' HB3' ' HA ' ' A' ' 340' ' ' PRO . 42.3 tt0 -61.48 -61.63 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.13 110.244 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.899 HH21 ' C ' ' A' ' 415' ' ' ALA . 2.2 ptp85 -62.96 -16.2 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 73.54 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -30.56 64.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 74.35 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.542 ' NH1' HD13 ' A' ' 338' ' ' LEU . 6.0 mtt85 -73.81 -48.24 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.04 110.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.639 HD22 ' CD1' ' A' ' 408' ' ' TYR . 18.5 mt -40.2 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.54 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.788 ' HG2' HD11 ' A' ' 412' ' ' LEU . 26.5 mt-30 -38.48 -58.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 71.52 110.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -50.93 -67.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 72.33 110.296 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -51.23 -21.24 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 73.2 110.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.746 HD23 ' CB ' ' A' ' 408' ' ' TYR . 0.6 OUTLIER -72.91 -42.87 63.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 74.3 109.254 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -67.26 -15.85 63.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 75.44 110.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 356' ' ' ARG . 13.2 mt-10 -84.98 -60.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 74.24 110.346 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.644 ' CB ' HG22 ' A' ' 405' ' ' VAL . 36.8 mmt-85 -40.16 -42.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.53 110.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 2.0 t -68.95 -43.16 75.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 74.11 110.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 353' ' ' GLU . 5.5 mmm180 -54.13 -37.87 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 64.1 110.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 2.0 mm-40 -85.19 -34.78 21.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 71.44 110.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.813 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -62.3 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 63.35 109.301 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 4.2 tp60 -38.79 -32.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.13 110.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . 0.459 ' NZ ' ' CB ' ' A' ' 360' ' ' LYS . 6.1 mtpm? -70.63 -52.96 17.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 73.42 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 358' ' ' LEU . 7.5 mm-40 -58.05 -46.71 84.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.21 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 398' ' ' ILE . 2.2 t -70.48 -34.81 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 74.12 109.283 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.9 OUTLIER -58.42 -37.94 76.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 61.44 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.713 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 5.4 pt20 -93.71 -23.85 18.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 71.25 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.763 ' HB2' HD11 ' A' ' 398' ' ' ILE . 1.0 OUTLIER -40.61 -47.48 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 72.21 110.3 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -86.31 -22.94 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.33 110.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -72.75 -19.87 61.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 72.41 109.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.627 HD13 ' HG3' ' A' ' 390' ' ' GLN . 9.6 mt -58.92 -58.35 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.1 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . 0.442 ' HA ' ' CD ' ' A' ' 372' ' ' LYS . 4.6 mtmp? -48.33 -36.4 14.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 72.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.976 ' O ' HG13 ' A' ' 374' ' ' VAL . 11.2 mtpp -68.06 -38.61 82.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 70.51 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.533 ' O ' HG22 ' A' ' 374' ' ' VAL . 60.8 mmm -65.45 -9.11 22.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.22 111.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.639 ' HD2' HD11 ' A' ' 391' ' ' ILE . 3.9 mtpm? -91.93 -57.79 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 74.51 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.32 -40.42 35.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.33 109.351 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.976 HG13 ' O ' ' A' ' 370' ' ' LYS . 10.7 m -53.42 -36.57 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 74.21 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.779 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.1 m-30 -87.11 -30.54 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 73.33 111.031 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.9 -28.17 63.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 71.22 110.315 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 -34.81 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 62.31 109.335 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.6 m -132.47 69.29 79.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 73.32 110.419 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.2 Cg_endo -75.04 1.07 8.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 54.5 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.47 ' HG2' HG22 ' A' ' 378' ' ' THR . 8.3 pt20 -72.4 -3.96 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 64.2 110.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.25 -4.21 11.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 75.11 110.981 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 179.57 41.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 53.53 111.005 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.25 143.05 47.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 73.21 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 52.52 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.68 -13.03 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 61.33 109.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 96.2 p -101.04 8.96 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 61.11 110.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 375' ' ' TYR . 15.6 mt -116.86 -1.7 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 75.11 109.242 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 5.7 mm-40 -78.66 -43.69 1.93 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 65.02 110.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.0 -20.39 16.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 54.52 111.007 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.668 HE22 HD22 ' A' ' 387' ' ' LEU . 7.4 pt20 -89.45 -34.4 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 75.03 110.316 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 387' ' ' LEU . 12.3 mt -60.17 -57.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 74.14 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.88 47.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 42.53 109.289 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 7.3 tt0 -86.88 -32.7 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.33 110.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.3 m -70.61 -33.69 71.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 75.44 110.378 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 395' ' ' LEU . 3.8 mm? -66.67 -60.94 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.03 109.335 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . 0.455 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 0.2 OUTLIER -59.29 -25.93 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.51 110.022 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.824 ' O ' HD12 ' A' ' 401' ' ' LEU . 81.6 m-20 -83.89 -17.66 40.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.42 109.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.763 HD11 ' HB2' ' A' ' 365' ' ' ARG . 9.3 mt -86.81 -46.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 74.14 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.455 ' CG ' ' HA ' ' A' ' 396' ' ' SER . 0.5 OUTLIER -67.1 -35.62 80.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 74.25 110.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 11.3 ptm180 -72.19 -9.71 58.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.32 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 397' ' ' ASN . 2.8 mt -96.8 -65.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 74.33 109.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.459 ' HG3' HD23 ' A' ' 403' ' ' LEU . 13.0 ptpt -45.77 -54.38 8.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 71.11 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.459 HD23 ' HG3' ' A' ' 402' ' ' LYS . 1.0 OUTLIER -43.0 -51.06 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.11 109.275 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 54.1 mm-40 -64.37 -33.33 75.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.23 110.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 401' ' ' LEU . 38.1 t -74.48 -5.9 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.53 109.313 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . 0.412 ' CD ' ' O ' ' A' ' 402' ' ' LYS . 0.8 OUTLIER -99.17 -57.92 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 72.41 110.319 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.6 OUTLIER -45.53 -44.41 12.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 65.11 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.746 ' CB ' HD23 ' A' ' 351' ' ' LEU . 5.6 m-85 -63.21 -59.05 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 74.13 111.018 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -53.48 -19.83 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 53.21 110.271 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.46 -24.9 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.42 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.1 m0 -69.3 -40.27 77.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.973 -1.121 . . . . 62.35 107.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.788 HD11 ' HG2' ' A' ' 348' ' ' GLN . 2.9 mm? -40.43 -42.79 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 64.41 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.53 -38.43 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 64.51 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.0 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 63.21 110.265 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.899 ' C ' HH21 ' A' ' 344' ' ' ARG . . . -104.7 -58.2 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 63.2 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.568 ' N ' HH21 ' A' ' 344' ' ' ARG . 15.7 mt-10 -43.29 -27.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.33 110.284 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 415' ' ' ALA . 6.4 t -52.72 -46.86 67.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.45 109.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -56.0 -44.94 79.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 73.31 110.287 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.49 ' CG2' ' NH1' ' A' ' 344' ' ' ARG . 14.9 t -58.6 -68.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 63.13 109.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.6 mt -40.28 -51.15 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 64.4 109.305 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 29.1 t -50.42 -57.86 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.13 109.988 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -67.36 136.09 54.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 74.13 109.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -138.43 128.11 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 74.34 110.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -99.97 -22.89 11.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 63.13 110.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 73.33 109.324 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.968 -0.853 . . . . 60.45 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.58 11.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.755 . . . . 73.33 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -110.06 139.36 45.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 74.13 109.617 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 9.2 tpt -117.91 151.01 38.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 63.44 110.969 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 2.4 p -141.19 167.62 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 73.41 110.392 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -121.19 -50.23 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 65.14 110.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -103.44 16.39 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 65.35 109.287 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.426 ' CG ' ' HD3' ' A' ' 346' ' ' ARG . 21.5 m-85 38.77 47.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 72.41 110.985 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 6.3 t -104.34 -19.85 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 54.35 110.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -71.4 -13.06 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 75.51 109.593 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.31 164.97 14.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 73.5 109.27 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.4 14.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 73.31 111.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.887 ' HB2' HG23 ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.03 -0.22 9.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.493 1.786 . . . . 24.51 111.033 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -95.32 -38.92 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 74.11 110.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.86 -5.32 34.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 45.23 110.301 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -89.84 -37.26 14.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 70.53 110.311 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -76.78 -19.2 57.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 73.23 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -41.65 81.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 73.11 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.426 ' HD3' ' CG ' ' A' ' 335' ' ' PHE . 20.8 mtp85 -59.15 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 72.15 110.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.646 HD13 ' CB ' ' A' ' 411' ' ' TRP . 8.1 mt -40.3 -62.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 63.21 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.571 ' CG ' HD11 ' A' ' 412' ' ' LEU . 27.7 mt-30 -54.52 -43.24 71.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 52.02 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 351' ' ' LEU . 11.0 mt-30 -61.7 -76.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.45 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 346' ' ' ARG . 38.8 mm-40 -45.3 -25.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 74.32 110.3 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.625 HD12 HG13 ' A' ' 405' ' ' VAL . 17.7 tp -66.84 -48.9 67.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 73.35 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 7.0 tt0 -66.2 -16.23 63.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 70.35 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -92.27 -35.47 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 73.23 110.318 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.831 ' HB3' HG22 ' A' ' 405' ' ' VAL . 4.9 tpt180 -73.83 -45.55 50.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 73.34 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 6.4 p -70.57 -6.48 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 72.53 109.971 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 2.0 mmm180 -88.02 -56.17 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 65.33 110.291 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.549 ' CD ' HD21 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -71.43 -5.86 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 72.2 110.263 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.875 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -90.39 -40.12 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 75.51 109.295 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.477 ' N ' HD13 ' A' ' 358' ' ' LEU . 39.7 tp60 -63.96 -13.89 49.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 52.03 110.283 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -93.15 -10.68 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 64.32 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.473 ' OE1' HG23 ' A' ' 394' ' ' THR . 75.3 mm-40 -103.45 -40.84 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.44 110.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.57 HG23 HG12 ' A' ' 398' ' ' ILE . 2.5 t -76.77 -34.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 51.14 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 5.5 t70 -61.08 -30.59 70.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 63.32 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.566 HE21 HD21 ' A' ' 368' ' ' LEU . 5.7 pt20 -104.69 -21.79 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 35.5 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.79 ' HB2' HD11 ' A' ' 398' ' ' ILE . 0.6 OUTLIER -37.6 -49.55 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 71.22 110.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -33.46 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 71.24 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -53.05 -45.69 68.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.01 109.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.73 HD13 ' HG2' ' A' ' 390' ' ' GLN . 3.6 mt -48.59 -65.49 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 61.2 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -51.38 -22.31 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 51.24 109.332 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -33.44 29.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 61.4 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.578 ' HB2' HD13 ' A' ' 387' ' ' LEU . 68.3 mmm -70.19 -7.02 38.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 41.11 111.031 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 391' ' ' ILE . 16.0 mttt -86.82 -59.09 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 72.45 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -48.85 -47.35 42.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.31 109.313 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.591 HG23 ' CD1' ' A' ' 375' ' ' TYR . 19.3 m -55.34 -38.46 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 73.34 109.249 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.591 ' CD1' HG23 ' A' ' 374' ' ' VAL . 12.6 m-30 -84.63 -15.59 44.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 72.01 111.012 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.3 mm-40 -76.47 -33.83 58.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 64.11 110.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -38.13 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 61.02 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.721 HG22 ' HG2' ' A' ' 380' ' ' GLN . 7.4 m -119.76 82.49 27.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 74.31 110.384 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 53.12 110.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.721 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.2 pt20 -78.25 -0.33 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 73.15 110.247 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.506 ' HE3' ' HB ' ' A' ' 378' ' ' THR . 9.7 mtt -95.83 -49.22 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 30.45 111.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -172.39 -163.1 25.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 74.32 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.88 132.6 22.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.77 . . . . 74.13 109.308 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.54 11.82 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 73.25 110.975 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.11 -14.12 59.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.04 109.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 t -96.49 6.09 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 75.12 110.019 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.578 HD13 ' HB2' ' A' ' 371' ' ' MET . 21.1 mt -108.14 -6.71 16.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 74.15 109.256 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.8 mt-10 -75.73 -47.14 4.04 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 60.21 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.99 -7.53 19.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 73.41 111.062 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.73 ' HG2' HD13 ' A' ' 368' ' ' LEU . 13.3 tt0 -99.03 -34.77 10.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.24 110.282 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.657 HD11 ' HD2' ' A' ' 372' ' ' LYS . 27.9 mt -66.44 -58.41 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 75.4 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.74 -16.57 28.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 74.34 109.313 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.406 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 14.4 tt0 -83.89 -34.72 24.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.41 110.293 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 398' ' ' ILE . 7.2 m -85.64 -24.7 26.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 72.43 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 395' ' ' LEU . 3.9 mm? -76.04 -55.84 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 73.03 109.263 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 1.7 t -64.66 -16.96 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 32.15 109.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 55.7 m-20 -90.51 -17.61 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.24 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.79 HD11 ' HB2' ' A' ' 365' ' ' ARG . 9.3 mt -84.6 -44.2 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 63.44 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -66.97 -22.07 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 73.11 110.338 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.1 ptm180 -95.36 -8.78 34.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.45 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.875 HD13 ' HA ' ' A' ' 358' ' ' LEU . 2.4 mt -96.78 -75.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 74.35 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.48 ' HG3' HD22 ' A' ' 403' ' ' LEU . 12.3 ptmm? -40.37 -49.51 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 42.11 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 402' ' ' LYS . 2.7 mm? -46.97 -53.71 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 42.14 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.654 ' HG3' HH21 ' A' ' 354' ' ' ARG . 53.0 mm-40 -64.5 -30.85 71.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 75.25 110.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 354' ' ' ARG . 12.1 t -77.51 -5.57 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 62.25 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -99.01 -58.04 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 74.13 110.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 6.4 ptpt -42.23 -43.66 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 73.32 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.5 m-85 -61.85 -58.82 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 73.43 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -52.68 -21.02 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 65.24 110.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.41 -22.15 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 71.55 109.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.646 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.5 m0 -72.55 -38.85 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 63.03 108.012 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.4 mm? -40.12 -44.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.02 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.81 35.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 61.23 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.87 -15.14 61.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 72.12 110.304 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -63.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.4 109.329 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 419' ' ' VAL . 78.6 mt-10 -41.79 -37.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 40.03 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 t -40.01 -46.72 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 73.13 109.997 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -58.67 -46.79 86.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 75.13 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.887 HG23 ' HB2' ' A' ' 340' ' ' PRO . 23.3 t -55.17 -67.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 75.11 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.8 mt -40.95 -54.89 2.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 72.44 109.258 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 422' ' ' ASN . 4.4 p -47.56 -60.8 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 75.24 109.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . 0.42 ' N ' ' OG ' ' A' ' 421' ' ' SER . 47.9 m-80 -60.54 129.88 43.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.2 109.312 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.518 ' H ' ' NE ' ' A' ' 423' ' ' ARG . 0.2 OUTLIER -72.45 -173.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 75.23 110.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 423' ' ' ARG . . . -176.19 58.51 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 73.1 111.034 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 62.4 109.295 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.83 . . . . 74.42 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -77.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 72.24 111.004 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -124.42 -173.38 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 63.44 109.575 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . 0.603 ' CE ' HG22 ' A' ' 332' ' ' THR . 15.7 tpt -133.16 154.03 50.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 71.55 110.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.775 HG23 ' N ' ' A' ' 333' ' ' GLU . 5.1 t -60.09 -148.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.21 110.394 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.775 ' N ' HG23 ' A' ' 332' ' ' THR . 36.8 mt-10 -106.41 103.1 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 75.42 110.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 333' ' ' GLU . 2.8 p-10 -36.31 120.91 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 65.33 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.573 ' HA ' HD11 ' A' ' 338' ' ' LEU . 2.2 p90 -77.63 3.91 12.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.2 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 8.5 t -82.58 6.81 16.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 65.44 109.988 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 337' ' ' HIS . 31.7 t-80 -125.98 18.49 7.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 75.13 109.599 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.771 HD13 ' NE2' ' A' ' 342' ' ' GLN . 0.0 OUTLIER -133.91 166.04 32.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 73.21 109.312 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.17 21.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 71.35 110.98 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 343' ' ' GLN . 18.2 Cg_endo -75.02 2.02 7.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 71.44 110.966 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . 0.438 ' HB2' HG13 ' A' ' 419' ' ' VAL . 11.2 tm-20 -82.05 -52.4 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 73.33 110.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.771 ' NE2' HD13 ' A' ' 338' ' ' LEU . 0.0 OUTLIER -93.98 -5.78 46.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.11 110.325 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.57 ' HB2' HD12 ' A' ' 338' ' ' LEU . 25.4 tt0 -88.31 -34.4 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 71.42 110.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.506 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 6.9 ptm180 -65.14 -36.11 83.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.4 110.319 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 344' ' ' ARG . 4.5 ptpt -55.99 -32.66 64.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 75.04 109.299 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.443 ' CD ' ' HB3' ' A' ' 335' ' ' PHE . 3.0 mtp85 -68.96 -43.28 75.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 71.13 110.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.652 HD13 ' CB ' ' A' ' 411' ' ' TRP . 29.2 mt -58.61 -75.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 72.43 109.333 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.745 ' HG2' HD11 ' A' ' 412' ' ' LEU . 0.1 OUTLIER -40.04 -32.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 72.25 110.279 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -66.58 -65.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 71.23 110.29 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -64.79 -11.51 37.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 72.3 110.309 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 409' ' ' GLU . 2.1 tt -61.81 -61.68 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 71.33 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.3 tt0 -51.16 -21.71 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 42.3 110.261 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 38.1 mm-40 -74.86 -70.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.13 110.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.852 ' HB3' HG23 ' A' ' 405' ' ' VAL . 3.5 mmt-85 -39.85 -40.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 70.03 110.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 10.8 t -73.78 -43.36 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 45.21 109.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 14.0 mmt180 -54.89 -46.72 74.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.2 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.757 ' OE1' HD21 ' A' ' 401' ' ' LEU . 2.9 pt-20 -79.75 3.5 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.13 110.32 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.678 ' HA ' HD13 ' A' ' 401' ' ' LEU . 3.3 tt -85.89 -61.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 71.3 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -61.42 -13.85 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.4 110.273 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -84.98 -21.6 29.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 72.52 109.332 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.549 ' HG3' HD11 ' A' ' 401' ' ' LEU . 11.5 mm-40 -92.16 -40.57 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.51 110.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.572 ' CG2' HD13 ' A' ' 398' ' ' ILE . 2.4 t -73.1 -26.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 74.34 109.333 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.82 -28.27 64.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 60.12 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.556 ' NE2' HD21 ' A' ' 368' ' ' LEU . 4.5 pt20 -99.95 -24.04 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 65.32 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.557 ' HE ' HD21 ' A' ' 395' ' ' LEU . 1.5 mtp-105 -36.57 -66.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.35 110.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -66.3 -25.54 66.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 71.3 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -62.09 -38.64 89.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 74.53 109.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.755 HD13 ' HG2' ' A' ' 390' ' ' GLN . 8.1 mt -55.89 -44.87 78.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.33 109.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 369' ' ' LYS . 5.7 mtpp -62.85 -23.58 67.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 63.54 109.264 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.853 ' O ' HG13 ' A' ' 374' ' ' VAL . 19.6 mtpt -80.14 -35.34 36.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 62.2 109.291 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.62 ' O ' HG22 ' A' ' 374' ' ' VAL . 66.1 mmm -66.48 -8.72 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 74.03 110.997 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.474 ' HG3' HD13 ' A' ' 387' ' ' LEU . 6.4 mtpt -88.59 -55.74 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 53.42 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -50.5 -43.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 62.34 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.9 m -50.95 -33.72 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.34 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.847 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.6 m-30 -91.66 -24.74 19.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 75.21 110.988 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.3 -25.77 67.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 74.21 110.306 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 -36.69 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 61.14 109.332 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.864 HG22 ' HG2' ' A' ' 380' ' ' GLN . 11.4 m -129.46 88.27 50.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 73.41 110.388 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.13 9.28 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 75.43 110.997 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.864 ' HG2' HG22 ' A' ' 378' ' ' THR . 1.7 pt20 -80.66 1.99 27.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 74.41 110.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.422 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 6.6 mtm -95.76 -48.13 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.02 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.536 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -174.35 -164.53 29.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 73.4 110.961 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.77 135.02 21.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 70.33 109.338 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.1 Cg_endo -75.02 -23.98 13.23 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.421 1.748 . . . . 73.14 111.016 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.84 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 60.32 109.28 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 1.8 t -97.11 3.47 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 35.54 109.954 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 384' ' ' PRO . 9.0 mt -108.52 -4.88 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 55.32 109.3 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.568 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -77.7 -47.67 2.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.51 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 62.53 110.971 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.755 ' HG2' HD13 ' A' ' 368' ' ' LEU . 4.0 tt0 -99.56 -35.1 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 64.14 110.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.648 ' HA ' HD12 ' A' ' 368' ' ' LEU . 24.7 mt -64.8 -69.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 71.32 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.08 -23.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 75.53 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -73.01 -40.14 65.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 74.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.3 m -75.02 -25.21 58.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.55 110.4 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.557 HD21 ' HE ' ' A' ' 365' ' ' ARG . 2.4 mm? -88.86 -27.64 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.14 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 15.6 t -87.97 -10.33 50.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 71.1 110.018 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -102.12 -45.46 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.13 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.709 ' HA ' HD12 ' A' ' 401' ' ' LEU . 12.4 mt -55.05 -37.96 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 74.23 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.57 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -64.44 -22.47 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 64.35 110.306 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -95.99 -26.83 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.2 110.266 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.757 HD21 ' OE1' ' A' ' 357' ' ' GLU . 19.0 mt -67.56 -52.35 39.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 72.15 109.299 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.539 ' HB3' HD11 ' A' ' 358' ' ' LEU . 2.6 ptmt -68.61 -41.98 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.52 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 399' ' ' GLU . 0.7 OUTLIER -56.93 -53.98 51.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.23 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.601 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 50.9 mm-40 -62.21 -23.61 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 74.22 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.852 HG23 ' HB3' ' A' ' 354' ' ' ARG . 3.3 t -89.33 -5.31 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.41 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -99.2 -13.87 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 63.52 110.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -97.73 -42.0 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 73.43 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 8.2 m-85 -61.73 -60.04 4.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 72.53 111.05 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.893 ' CG ' HD11 ' A' ' 351' ' ' LEU . 9.7 mt-10 -54.11 -19.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 73.43 110.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -21.28 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 75.41 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.652 ' CB ' HD13 ' A' ' 347' ' ' LEU . 44.9 m0 -74.33 -41.29 61.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 74.41 107.991 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.745 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.2 mm? -38.96 -43.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 70.32 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.99 -41.15 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 65.13 109.236 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.4 mm-40 -62.3 -15.75 49.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 71.4 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.97 -63.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 53.24 109.309 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.506 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 8.4 mt-10 -38.9 -52.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 71.25 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 39.3 t -48.9 -48.97 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 72.41 110.01 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -60.17 -32.61 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 53.31 110.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 341' ' ' GLU . 46.4 t -69.44 -66.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 71.54 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt -42.77 -46.87 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 50.42 109.318 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -41.65 -52.08 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 63.21 109.964 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -86.23 130.2 34.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 61.31 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -97.06 -6.78 34.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 64.15 110.301 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 95.59 -19.32 54.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 64.35 110.966 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 75.31 109.319 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . 0.419 ' N ' ' HD3' ' A' ' 329' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.025 -0.83 . . . . 53.13 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 328' ' ' GLY . 18.3 Cg_endo -75.04 -179.79 5.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 75.55 110.954 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.8 -168.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 71.44 109.587 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' A' ' 331' ' ' MET . 0.3 OUTLIER -126.72 -177.72 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 75.03 111.027 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.496 HG23 ' N ' ' A' ' 333' ' ' GLU . 13.2 t -61.28 -155.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 74.34 110.369 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.496 ' N ' HG23 ' A' ' 332' ' ' THR . 34.0 mt-10 -100.96 -71.86 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 73.35 110.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -110.88 133.06 53.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 71.23 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.724 ' HA ' HD11 ' A' ' 338' ' ' LEU . 0.1 OUTLIER -120.02 19.5 12.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 74.43 110.982 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 33.3 t -98.53 11.66 37.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 61.11 109.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -130.02 22.1 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 74.05 109.584 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.724 HD11 ' HA ' ' A' ' 335' ' ' PHE . 0.1 OUTLIER -104.53 169.53 7.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 73.03 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 71.34 110.991 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.685 ' HB2' HH21 ' A' ' 344' ' ' ARG . 18.2 Cg_endo -75.07 -30.32 7.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 73.45 110.987 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.97 -28.05 66.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 72.14 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.493 ' NE2' ' NZ ' ' A' ' 345' ' ' LYS . 0.0 OUTLIER -97.9 -31.95 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.23 110.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -58.17 -69.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 70.53 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.747 HH12 ' N ' ' A' ' 416' ' ' GLU . 5.5 ptp180 -43.58 -38.45 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 62.54 110.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.493 ' NZ ' ' NE2' ' A' ' 342' ' ' GLN . 1.6 ttpt -52.51 -49.65 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 74.24 109.308 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 347' ' ' LEU . 21.1 mtp85 -71.12 -43.89 66.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.11 110.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 344' ' ' ARG . 53.6 mt -39.19 -51.45 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.31 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.817 ' CG ' HD11 ' A' ' 412' ' ' LEU . 63.4 mt-30 -68.02 -43.62 78.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 71.41 110.337 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.83 -72.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 45.23 110.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 353' ' ' GLU . 38.2 mm-40 -45.51 -41.73 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 72.03 110.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.784 HD12 HG13 ' A' ' 405' ' ' VAL . 4.7 tp -45.08 -53.78 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 53.25 109.278 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 9.0 tt0 -59.3 -29.06 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 73.14 110.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 350' ' ' GLN . 45.6 mm-40 -71.31 -46.2 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 72.33 110.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.978 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.7 tpt180 -65.74 -40.65 92.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.34 110.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 3.1 t -78.18 0.61 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 73.33 109.971 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 1.2 mmm180 -97.49 -28.19 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 71.54 110.28 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.861 ' OE1' HD21 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -100.8 3.82 42.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 71.01 110.288 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 402' ' ' LYS . 3.9 tt -80.63 -73.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 52.33 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -43.51 -27.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 61.21 110.256 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -46.4 85.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.33 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 358' ' ' LEU . 24.3 mm-40 -66.1 -43.35 87.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 62.35 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.734 HG22 ' CZ ' ' A' ' 365' ' ' ARG . 2.4 t -71.72 -20.21 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 43.24 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -25.56 55.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 70.31 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.545 ' NE2' HD21 ' A' ' 368' ' ' LEU . 5.2 pt20 -103.2 -23.45 13.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.15 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.734 ' CZ ' HG22 ' A' ' 362' ' ' VAL . 2.9 mtm180 -37.86 -64.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 74.42 110.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.84 -21.99 64.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 74.2 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -65.92 -37.35 85.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.12 109.289 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.681 HD13 ' HG2' ' A' ' 390' ' ' GLN . 9.4 mt -55.4 -45.54 76.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 73.03 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -41.39 77.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 75.02 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.871 ' O ' HG13 ' A' ' 374' ' ' VAL . 24.2 mtmt -66.69 -37.48 84.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 64.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.629 ' O ' HG22 ' A' ' 374' ' ' VAL . 63.4 mmm -63.01 -11.21 17.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 61.22 111.018 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.615 ' CG ' HD12 ' A' ' 387' ' ' LEU . 15.3 mttt -87.31 -55.48 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 73.54 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.37 -43.74 54.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 72.14 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.871 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.0 m -52.06 -33.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 64.54 109.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.792 ' CD1' HG23 ' A' ' 374' ' ' VAL . 19.9 m-30 -90.92 -27.69 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 64.4 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.45 -24.16 67.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.11 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -38.05 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 70.45 109.342 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.449 ' O ' ' CG ' ' A' ' 381' ' ' MET . 90.6 m -130.88 70.41 82.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 65.51 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.12 8.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 72.1 111.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.91 -4.58 29.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 74.11 110.324 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -116.32 -5.26 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 73.4 110.966 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.45 175.51 38.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 73.4 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.432 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 34.4 m-20 -127.15 145.6 54.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 52.53 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -25.77 11.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.412 1.743 . . . . 54.24 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.77 -12.9 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 54.32 109.271 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 95.2 p -100.31 8.9 43.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 71.44 110.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 375' ' ' TYR . 18.6 mt -113.98 -2.31 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.22 109.306 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 2.2 mt-10 -77.73 -47.62 2.32 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 75.34 110.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.04 -6.27 17.82 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 35.42 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.681 ' HG2' HD13 ' A' ' 368' ' ' LEU . 7.1 tt0 -99.58 -32.79 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 64.54 110.305 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 368' ' ' LEU . 42.1 mt -69.13 -64.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 73.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.84 -21.32 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 74.21 109.348 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 27.0 tt0 -75.51 -39.02 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 62.42 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.3 m -76.7 -24.42 53.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 72.2 110.372 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.512 ' O ' ' CG ' ' A' ' 399' ' ' GLU . 4.2 mm? -87.52 -26.44 23.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 74.33 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 32.8 t -92.63 -18.94 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 72.43 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 393' ' ' GLU . 88.0 m-20 -89.63 -53.32 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 72.21 109.254 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.672 HD13 HG23 ' A' ' 362' ' ' VAL . 30.9 mt -43.69 -28.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 63.32 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.4 OUTLIER -66.64 -51.88 51.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 62.33 110.284 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 22.5 mtt-85 -61.82 -35.5 78.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 72.31 110.269 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 1.02 ' O ' HG23 ' A' ' 405' ' ' VAL . 7.9 mt -60.64 -71.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 51.33 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -46.02 -59.46 2.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 65.13 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 402' ' ' LYS . 1.2 mm? -43.44 -52.74 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 74.21 109.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.749 ' HA ' ' HZ3' ' A' ' 407' ' ' LYS . 39.6 mm-40 -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.43 110.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 401' ' ' LEU . 9.5 t -77.6 -5.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 71.45 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -99.26 -58.03 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 63.52 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.749 ' HZ3' ' HA ' ' A' ' 404' ' ' GLU . 0.1 OUTLIER -41.65 -48.21 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.42 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.616 ' O ' HD23 ' A' ' 412' ' ' LEU . 18.9 m-85 -59.6 -60.13 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.13 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.419 ' CG ' ' CD2' ' A' ' 351' ' ' LEU . 6.3 mt-10 -54.44 -19.08 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 61.54 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.61 -21.23 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.15 109.325 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 46.3 m0 -75.39 -38.91 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 71.42 107.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.817 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.8 mm? -40.15 -40.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 70.34 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -83.5 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 65.34 109.334 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.9 mm-40 -57.02 -17.24 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 73.34 110.276 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -105.81 -56.02 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 71.01 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.747 ' N ' HH12 ' A' ' 344' ' ' ARG . 63.7 mt-10 -39.67 -44.91 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.11 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.0 m -58.35 -46.68 85.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 73.21 110.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 415' ' ' ALA . 32.5 mmm-85 -54.94 -39.77 69.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 63.53 110.279 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.687 HG23 ' NH2' ' A' ' 344' ' ' ARG . 19.5 t -69.05 -68.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.54 109.316 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 75.6 mt -40.69 -38.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 60.33 109.295 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 3.7 m -70.82 -47.95 56.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 73.13 109.989 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 419' ' ' VAL . 75.6 m-20 -98.45 68.41 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 75.04 109.29 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -98.96 -178.08 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 75.44 110.288 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 155.42 103.72 0.22 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 74.52 111.033 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 52.51 109.292 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.017 -0.833 . . . . 74.32 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 71.52 111.015 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -140.91 176.92 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 72.54 109.575 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 48.7 mmm -122.21 177.65 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 64.43 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.466 ' OG1' ' CE1' ' A' ' 335' ' ' PHE . 16.0 p -121.45 -177.61 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 62.34 110.356 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -106.08 -11.59 16.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 74.14 110.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -179.27 115.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 72.1 109.29 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.736 ' HA ' HD11 ' A' ' 338' ' ' LEU . 17.0 m-85 -90.02 30.0 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 73.41 111.056 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 3.1 t -137.69 14.77 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 52.11 109.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -109.84 -14.88 14.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 74.33 109.594 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 335' ' ' PHE . 0.0 OUTLIER -81.63 177.3 3.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 61.43 109.34 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 338' ' ' LEU . 18.4 Cg_endo -75.03 172.11 17.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 62.43 110.984 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 418' ' ' ARG . 18.2 Cg_endo -75.02 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 73.25 110.974 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -93.86 -27.06 16.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.599 1.187 . . . . 72.42 110.286 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.99 -33.57 11.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 71.52 110.307 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 346' ' ' ARG . 54.7 tt0 -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 71.04 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.493 ' NH2' HE22 ' A' ' 348' ' ' GLN . 7.3 ptm180 -77.99 -6.34 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 74.55 110.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -82.99 -52.37 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 54.43 109.288 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 343' ' ' GLN . 0.9 OUTLIER -49.78 -35.97 24.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 74.14 110.298 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 411' ' ' TRP . 19.4 mt -59.88 -68.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.2 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.775 ' CG ' HD11 ' A' ' 412' ' ' LEU . 52.2 mt-30 -38.78 -36.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -69.72 -58.61 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 52.41 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -65.13 -11.21 37.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 72.41 110.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.914 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.8 tt -73.4 -61.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 71.22 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.96 -16.43 30.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 54.3 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.3 mt-10 -80.62 -56.44 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.32 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.695 HH21 ' HG3' ' A' ' 404' ' ' GLU . 3.5 mmt-85 -44.67 -35.17 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 74.24 110.353 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 1.8 t -77.74 -36.3 50.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 71.52 110.054 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 353' ' ' GLU . 31.7 mtt180 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 72.51 110.305 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.6 -39.77 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 72.3 110.309 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.5 OUTLIER -59.33 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 64.01 109.282 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 38.7 tp60 -39.35 -29.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 63.43 110.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 358' ' ' LEU . 11.1 mmmt -72.28 -53.16 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 71.24 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 358' ' ' LEU . 73.3 mm-40 -58.91 -43.16 91.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 74.11 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.831 HG23 HG12 ' A' ' 398' ' ' ILE . 2.6 t -75.3 -22.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 70.15 109.278 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.3 OUTLIER -73.22 -40.58 64.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 40.31 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.613 HE21 HD21 ' A' ' 368' ' ' LEU . 7.9 pt20 -87.09 -28.54 22.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 65.23 110.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.661 ' HE ' HD21 ' A' ' 395' ' ' LEU . 1.6 tmt_? -37.45 -64.69 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 74.54 110.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.79 -30.56 70.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.32 110.279 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -63.76 -34.3 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 53.03 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.613 HD21 HE21 ' A' ' 364' ' ' GLN . 21.3 mt -50.57 -41.8 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 74.43 109.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -53.27 -33.8 54.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 60.11 109.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.927 ' O ' HG13 ' A' ' 374' ' ' VAL . 1.8 ptpt -70.47 -44.81 66.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 65.13 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.755 ' O ' HG22 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -48.4 -22.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.11 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.417 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 7.4 mtpt -84.68 -53.67 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 73.3 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -52.32 -42.19 63.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 53.23 109.274 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 370' ' ' LYS . 3.1 m -52.34 -30.85 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 72.33 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.914 ' CE2' HD11 ' A' ' 387' ' ' LEU . 18.9 m-30 -94.63 -24.35 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.43 111.017 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.74 -27.26 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 63.44 110.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.44 -38.35 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 63.21 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.745 HG22 ' HG2' ' A' ' 380' ' ' GLN . 32.2 m -126.11 87.81 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 61.34 110.413 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 62.13 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.745 ' HG2' HG22 ' A' ' 378' ' ' THR . 4.6 pt20 -82.19 -16.71 48.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 63.43 110.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.446 ' HE3' ' HB ' ' A' ' 378' ' ' THR . 4.9 mtt -70.14 -56.08 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 75.43 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -161.87 -141.35 3.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 60.32 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.23 136.95 19.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 73.01 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.29 19.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 72.31 111.002 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -76.31 -10.61 59.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 71.14 109.278 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 2.4 t -101.24 7.15 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 73.14 109.967 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.914 HD11 ' CE2' ' A' ' 375' ' ' TYR . 11.0 mt -110.52 -2.98 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 65.23 109.36 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.573 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -75.52 -47.1 4.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 72.4 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.01 -7.48 19.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 70.45 110.99 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.57 -37.13 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 75.11 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 368' ' ' LEU . 36.0 mt -64.84 -68.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 54.33 109.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.46 -21.66 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 64.23 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 28.8 tt0 -74.69 -39.08 62.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 62.41 110.297 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.648 ' O ' HD12 ' A' ' 398' ' ' ILE . 20.2 m -69.59 -38.35 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 73.41 110.373 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.661 HD21 ' HE ' ' A' ' 365' ' ' ARG . 4.3 mm? -67.78 -45.14 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 72.03 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 74.9 m -69.29 -23.15 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 51.44 109.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.925 ' O ' HD12 ' A' ' 401' ' ' LEU . 98.4 m-20 -90.41 -10.67 42.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 74.35 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.831 HG12 HG23 ' A' ' 362' ' ' VAL . 12.0 mt -92.02 -29.25 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 70.24 109.293 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -85.92 -19.24 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.1 110.292 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 10.8 ptm180 -95.88 -13.2 24.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 64.45 110.333 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 397' ' ' ASN . 1.2 mt -90.64 -65.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 64.52 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.532 ' O ' HG12 ' A' ' 405' ' ' VAL . 6.4 ptmm? -50.78 -45.08 58.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 64.45 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.7 mm? -47.66 -38.97 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.44 109.324 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.695 ' HG3' HH21 ' A' ' 354' ' ' ARG . 53.0 mm-40 -76.18 -27.16 56.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 75.52 110.261 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.6 HG22 HD23 ' A' ' 351' ' ' LEU . 0.4 OUTLIER -78.42 -4.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 74.14 109.264 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -98.27 -58.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 70.42 110.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 5.0 ptpt -40.86 -44.35 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 62.44 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.591 ' O ' HD23 ' A' ' 412' ' ' LEU . 10.6 m-85 -61.67 -59.92 4.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 75.21 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.914 ' CG ' HD11 ' A' ' 351' ' ' LEU . 20.2 mt-10 -52.99 -20.02 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 70.14 110.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.4 -22.61 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.44 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -72.37 -39.9 67.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 70.23 108.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.775 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.1 mm? -39.6 -44.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 72.41 109.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.54 -41.33 27.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 74.32 109.309 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -61.87 -15.52 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 71.34 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.78 -65.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 72.31 109.319 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 419' ' ' VAL . 50.4 mt-10 -39.76 -41.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.4 110.348 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 13.4 t -42.05 -49.65 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 70.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . 0.433 ' O ' ' ND2' ' A' ' 422' ' ' ASN . 92.7 mtt180 -55.67 -40.24 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 73.03 110.313 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 416' ' ' GLU . 70.0 t -64.86 -53.07 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 73.04 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 46.8 mt -53.11 -37.77 62.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 74.53 109.28 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.6 t -62.06 -50.44 71.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 74.33 110.006 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 418' ' ' ARG . 6.1 p30 -129.52 108.44 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 64.41 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.01 16.1 22.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.23 110.323 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 87.05 -53.55 4.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.118 . . . . 71.4 110.982 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 71.15 109.299 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 73.42 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.76 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 74.41 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.18 -177.39 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.35 109.618 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 18.7 mtp -127.52 158.11 38.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 53.41 110.977 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 2.7 p -117.24 -175.26 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 73.52 110.457 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.538 ' O ' ' CE2' ' A' ' 335' ' ' PHE . 9.9 pt-20 -115.95 -37.33 3.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.22 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . 0.597 ' O ' ' CD1' ' A' ' 335' ' ' PHE . 21.5 m-20 -102.56 -31.68 10.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 70.3 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 334' ' ' ASP . 1.1 p90 37.8 30.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 74.42 110.989 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 334' ' ' ASP . 0.7 OUTLIER -75.36 -2.8 30.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 71.23 109.984 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -102.52 -31.24 10.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 72.02 109.618 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.467 ' HG ' ' CA ' ' A' ' 335' ' ' PHE . 9.8 mt -40.52 155.08 0.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 75.12 109.284 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.45 14.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 72.11 111.006 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.448 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.4 Cg_endo -75.01 0.34 9.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 70.01 111.021 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.71 -39.65 10.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 75.42 110.298 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -93.51 -32.95 13.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 64.24 110.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -49.97 -60.52 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 72.41 110.346 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.803 ' NH2' HG21 ' A' ' 419' ' ' VAL . 7.6 ptp180 -48.92 -39.1 24.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.42 110.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 17.3 ttmt -62.38 -47.68 83.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 73.02 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 347' ' ' LEU . 17.6 mmm180 -53.96 -53.7 49.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 75.11 110.232 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.553 HD13 ' CB ' ' A' ' 411' ' ' TRP . 5.0 mt -40.05 -65.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 74.25 109.353 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.551 ' CG ' HD11 ' A' ' 412' ' ' LEU . 26.3 mt-30 -39.51 -53.09 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 72.12 110.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -49.51 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 72.5 110.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -66.23 -9.72 34.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 70.54 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.778 HD21 ' CG ' ' A' ' 409' ' ' GLU . 1.9 tt -69.97 -46.91 64.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 43.14 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.59 -26.67 55.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 64.31 110.277 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.33 -48.29 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 75.44 110.278 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.879 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.7 tpt180 -64.33 -37.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 72.01 110.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.46 ' HB2' HG11 ' A' ' 405' ' ' VAL . 4.6 t -72.35 -24.12 61.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 72.45 109.932 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -69.47 -65.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 74.4 110.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.857 ' OE1' HD21 ' A' ' 401' ' ' LEU . 3.1 pt-20 -55.62 -19.72 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 54.33 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.772 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -65.09 -73.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 74.53 109.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.9 tp60 -45.75 -25.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 60.13 110.322 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -65.86 -54.91 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 74.54 109.352 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.64 -34.11 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 73.23 110.25 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.786 HG23 HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.71 -21.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 65.54 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 1.1 t70 -74.97 -25.31 58.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.42 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.57 ' HG3' HD21 ' A' ' 368' ' ' LEU . 8.6 pt20 -104.92 -27.62 11.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.52 110.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.788 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -43.5 -37.03 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 75.31 110.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 2.6 pt-20 -80.35 -31.89 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 71.12 110.345 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -66.14 -37.44 85.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 63.03 109.329 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.918 HD22 ' NE2' ' A' ' 390' ' ' GLN . 6.1 mt -44.54 -47.82 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 63.02 109.307 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -34.45 78.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.44 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 367' ' ' ALA . 25.6 mtmm -72.88 -21.54 60.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 73.02 109.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.448 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 67.0 mmm -79.29 -6.44 56.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.25 111.001 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 376' ' ' GLU . 0.1 OUTLIER -91.05 -56.35 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.43 109.277 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -52.2 -44.31 64.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 75.42 109.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 375' ' ' TYR . 22.2 m -56.49 -38.82 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.11 109.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.596 ' CD1' HG23 ' A' ' 374' ' ' VAL . 14.1 m-30 -84.92 -16.36 41.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.41 110.995 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 372' ' ' LYS . 4.9 mt-10 -75.29 -34.49 61.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 71.11 110.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 -38.18 5.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.2 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.2 m -119.46 82.27 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.31 110.385 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.08 9.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 64.42 111.023 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.64 ' HG2' HG22 ' A' ' 378' ' ' THR . 3.9 pt20 -78.83 2.01 21.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 75.31 110.254 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.508 ' HE3' ' HB ' ' A' ' 374' ' ' VAL . 4.7 mtm -100.42 -48.77 4.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 70.05 110.99 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . -171.05 -165.45 28.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 61.51 110.959 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.85 143.18 36.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 62.44 109.284 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 387' ' ' LEU . 18.4 Cg_endo -74.93 -24.35 13.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 62.34 111.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.91 -11.79 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 71.41 109.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 7.21 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.31 110.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.535 HD11 ' CD2' ' A' ' 375' ' ' TYR . 7.1 mt -112.3 -1.9 14.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 73.23 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.548 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.2 mt-10 -78.17 -48.3 2.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.42 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.4 Cg_endo -74.96 -13.65 21.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 70.11 110.998 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.918 ' NE2' HD22 ' A' ' 368' ' ' LEU . 0.4 OUTLIER -95.46 -40.05 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 75.41 110.262 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 387' ' ' LEU . 30.2 mt -61.54 -67.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 63.24 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.84 -21.34 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 55.32 109.252 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.06 -37.75 53.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 52.51 110.281 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.597 HG22 HD11 ' A' ' 398' ' ' ILE . 11.7 m -71.19 -46.61 60.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 65.42 110.417 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.15 -54.4 45.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 71.2 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 2.0 t -63.68 -19.69 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.15 109.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.755 ' O ' HD12 ' A' ' 401' ' ' LEU . 74.8 m-20 -91.94 -16.36 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 63.25 109.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.788 HD11 ' HB3' ' A' ' 365' ' ' ARG . 28.7 mt -88.64 -43.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 73.33 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.782 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -70.79 -23.09 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 54.33 110.307 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 9.7 ptm180 -86.11 -29.07 23.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 65.33 110.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.857 HD21 ' OE1' ' A' ' 357' ' ' GLU . 13.2 mt -73.86 -73.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 72.55 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.468 ' HB3' HD11 ' A' ' 358' ' ' LEU . 9.0 ptmt -40.52 -40.96 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 72.13 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 399' ' ' GLU . 2.2 mm? -56.93 -51.67 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 30.43 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.672 ' HG3' HH21 ' A' ' 354' ' ' ARG . 57.3 mm-40 -60.9 -26.83 67.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 62.13 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.879 HG22 ' HB3' ' A' ' 354' ' ' ARG . 2.2 t -91.44 -4.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 75.03 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 402' ' ' LYS . 47.0 mt-30 -98.7 -12.17 21.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 70.15 110.303 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.612 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.7 OUTLIER -93.65 -41.2 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 74.14 109.279 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 22.3 m-85 -61.69 -60.03 4.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 72.31 110.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.778 ' CG ' HD21 ' A' ' 351' ' ' LEU . 7.1 mm-40 -54.37 -19.15 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.43 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.56 -21.37 16.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 61.32 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.2 m0 -73.46 -43.45 60.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 74.13 108.006 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.551 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.3 mm? -39.08 -41.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 52.2 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.3 -41.85 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 63.31 109.281 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 410' ' ' ALA . 1.0 OUTLIER -62.59 -14.67 45.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 74.21 110.284 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.79 -67.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 75.44 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -42.74 -34.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 75.24 110.256 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 36.0 t -61.23 -63.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 72.52 110.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.29 -26.67 52.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 71.22 110.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.803 HG21 ' NH2' ' A' ' 344' ' ' ARG . 38.3 t -67.57 -75.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 72.11 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 33.6 mt -44.74 -29.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 74.44 109.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 3.1 t -52.51 -47.56 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 70.41 110.021 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -123.23 120.78 34.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 62.35 109.299 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -134.24 -176.53 4.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 65.3 110.344 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 168.6 106.68 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.143 . . . . 72.11 110.97 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 60.33 109.298 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.002 -0.839 . . . . 62.41 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.84 15.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 74.41 111.028 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -129.38 175.19 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 65.51 109.572 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.36 152.81 41.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 75.55 111.025 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.41 ' OG1' ' N ' ' A' ' 333' ' ' GLU . 9.7 t -98.53 -173.76 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 72.24 110.41 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 333' ' ' GLU . 10.6 mp0 -109.33 -74.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 75.04 110.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.92 142.76 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 71.01 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.639 ' CE1' ' NH2' ' A' ' 346' ' ' ARG . 4.2 m-30 -99.5 -10.87 21.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.21 111.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 5.0 m -71.18 -11.87 61.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 41.51 109.988 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -79.95 -15.7 56.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 65.04 109.582 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.69 HD13 ' HD3' ' A' ' 346' ' ' ARG . 0.7 OUTLIER -95.52 162.3 24.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 65.01 109.3 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.46 14.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 72.25 111.021 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.471 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.4 Cg_endo -74.97 -10.96 21.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 72.24 110.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -77.19 -45.94 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 70.15 110.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 345' ' ' LYS . 2.1 mt-30 -89.59 -34.86 16.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 63.23 110.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -42.59 -40.05 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 71.54 110.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.5 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.2 ptm180 -65.91 -42.49 90.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 55.31 110.306 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 344' ' ' ARG . 8.7 ttmt -64.69 -30.21 71.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 71.31 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.69 ' HD3' HD13 ' A' ' 338' ' ' LEU . 20.0 mmm180 -62.01 -32.09 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 74.01 110.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.56 HD22 ' HE3' ' A' ' 411' ' ' TRP . 10.5 mt -77.65 -49.03 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 75.15 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.665 ' HG2' HD11 ' A' ' 412' ' ' LEU . 57.2 mt-30 -37.17 -38.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 72.25 110.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 345' ' ' LYS . 1.8 mp0 -70.04 -66.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 73.21 110.282 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . 0.561 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 1.2 mp0 -42.81 -52.66 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 74.04 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.96 HD23 HG22 ' A' ' 405' ' ' VAL . 0.4 OUTLIER -37.66 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 71.33 109.261 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -50.26 -47.22 55.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.21 110.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.42 ' OE1' ' NE2' ' A' ' 350' ' ' GLN . 76.2 mt-10 -51.96 -30.14 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.32 110.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.699 HH21 ' HG3' ' A' ' 404' ' ' GLU . 0.1 OUTLIER -79.83 -39.27 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 64.4 110.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 38.1 t -77.24 0.61 21.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 71.23 110.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -97.96 -26.17 14.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 73.31 110.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.524 ' HG3' HD22 ' A' ' 401' ' ' LEU . 9.4 pt-20 -104.96 -32.1 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 72.55 110.323 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.786 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -52.02 -54.49 29.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.42 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -60.84 -14.8 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.32 110.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 357' ' ' GLU . 24.4 mmmt -84.19 -54.63 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 74.04 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.843 ' OE2' HG23 ' A' ' 394' ' ' THR . 9.2 mm-40 -62.91 -35.77 81.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.2 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.601 HG23 HG12 ' A' ' 398' ' ' ILE . 2.1 t -77.58 -22.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.02 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -24.6 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 74.31 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.486 HE21 HD21 ' A' ' 368' ' ' LEU . 7.3 pt20 -105.14 -27.45 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.33 110.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.853 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -45.18 -36.83 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 63.14 110.295 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 0.9 OUTLIER -85.51 -25.42 26.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 74.22 110.302 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -74.34 -27.54 60.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 64.14 109.256 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.486 HD21 HE21 ' A' ' 364' ' ' GLN . 16.0 mt -50.21 -49.85 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 71.3 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -29.77 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 71.33 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 374' ' ' VAL . 13.8 mtpp -71.06 -20.87 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 73.22 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.492 ' HA ' ' CG2' ' A' ' 374' ' ' VAL . 69.1 mmm -83.76 -6.45 59.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.54 111.029 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 376' ' ' GLU . 9.8 mtpt -89.38 -58.9 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.41 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.68 -46.36 58.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 51.52 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.586 HG23 ' CD1' ' A' ' 375' ' ' TYR . 21.0 m -54.72 -39.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 65.44 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 387' ' ' LEU . 13.8 m-30 -85.09 -15.86 42.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 71.3 111.01 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 372' ' ' LYS . 2.4 mm-40 -76.29 -34.8 59.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 73.32 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 -37.9 6.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 64.34 109.302 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.742 HG22 ' HG3' ' A' ' 381' ' ' MET . 19.1 m -118.8 82.43 20.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 74.45 110.44 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 54.4 111.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.681 ' HG2' HG23 ' A' ' 378' ' ' THR . 3.6 pt20 -79.34 1.87 23.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.55 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.742 ' HG3' HG22 ' A' ' 378' ' ' THR . 4.0 mtt -99.42 -48.62 4.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 62.33 111.009 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -171.71 -163.55 25.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 34.44 111.003 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -117.41 135.51 23.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 73.33 109.305 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 387' ' ' LEU . 18.3 Cg_endo -75.01 -24.3 12.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 75.3 110.987 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.09 -10.1 55.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 62.55 109.337 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 38.9 t -100.58 6.56 44.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 65.34 109.972 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 375' ' ' TYR . 8.7 mt -109.91 -2.45 17.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 74.52 109.354 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.9 mt-10 -78.49 -47.68 1.91 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 73.33 110.271 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.0 -13.24 21.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 60.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.5 HE22 HD22 ' A' ' 387' ' ' LEU . 5.6 pt20 -95.33 -32.32 13.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 63.5 110.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.544 HG23 HD23 ' A' ' 395' ' ' LEU . 20.7 mt -67.88 -63.3 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 74.23 109.312 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.32 -21.67 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 51.44 109.324 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.38 -38.83 55.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 75.44 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.843 HG23 ' OE2' ' A' ' 361' ' ' GLU . 2.9 m -80.05 -29.31 39.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 60.33 110.431 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.544 HD23 HG23 ' A' ' 391' ' ' ILE . 2.8 mm? -78.89 -29.57 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 65.24 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 37.4 m -90.1 -23.01 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 70.21 109.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -83.99 -52.35 6.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 74.01 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.853 HD11 ' HB3' ' A' ' 365' ' ' ARG . 33.2 mt -43.27 -29.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 42.13 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 395' ' ' LEU . 0.6 OUTLIER -69.19 -54.92 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.21 110.316 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 2.4 mtm105 -59.42 -35.85 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 73.53 110.262 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.786 HD13 ' HA ' ' A' ' 358' ' ' LEU . 32.8 mt -58.13 -73.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 71.15 109.269 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 405' ' ' VAL . 7.7 ptmt -47.62 -60.14 2.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 72.44 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.439 HD23 ' HG3' ' A' ' 402' ' ' LYS . 0.7 OUTLIER -40.7 -50.84 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 70.44 109.341 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.699 ' HG3' HH21 ' A' ' 354' ' ' ARG . 23.3 mm-40 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 62.21 110.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.96 HG22 HD23 ' A' ' 351' ' ' LEU . 0.4 OUTLIER -73.56 -4.45 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.21 109.316 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.03 -57.53 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 72.14 110.292 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.609 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -48.03 -42.58 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.01 109.322 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 10.3 m-85 -61.8 -54.09 47.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 73.34 110.983 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.774 ' HG2' HD11 ' A' ' 351' ' ' LEU . 30.8 mm-40 -54.96 -22.41 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.14 110.33 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.37 -20.15 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 72.33 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.0 m0 -75.2 -40.35 59.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 71.15 108.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.665 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.6 mm? -39.81 -40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 54.31 109.281 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.53 -39.89 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 61.11 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.9 mm-40 -64.24 -14.26 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 72.15 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.73 -56.63 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 65.21 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.5 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 0.7 OUTLIER -47.53 -51.98 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 64.32 110.265 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 20.7 t -47.99 -52.82 18.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 73.24 110.007 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -53.34 -32.7 50.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.32 110.255 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 55.6 t -75.25 -76.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 75.15 109.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.0 mt -40.8 -29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.21 109.269 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 423' ' ' ARG . 7.3 t -67.45 -59.12 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 51.15 110.003 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -62.31 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 74.1 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 421' ' ' SER . 63.9 mtp180 -78.67 82.04 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 70.51 110.257 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -49.09 -22.37 3.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.519 1.137 . . . . 72.32 110.995 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 60.11 109.304 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.978 -0.849 . . . . 43.23 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 62.41 110.986 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -56.83 147.86 22.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 71.41 109.552 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -148.27 155.33 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 74.42 110.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 6.0 t -69.42 -176.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 70.34 110.409 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.34 -148.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 73.14 110.293 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.95 138.27 58.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 64.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.618 ' CD2' ' CD1' ' A' ' 338' ' ' LEU . 7.5 m-85 -88.94 14.63 10.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 75.51 111.031 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 5.8 t -82.15 -43.06 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 75.0 110.044 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -59.5 -16.2 22.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 73.33 109.6 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.618 ' CD1' ' CD2' ' A' ' 335' ' ' PHE . 63.4 mt -61.84 159.49 35.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 64.15 109.275 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 63.52 111.024 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.673 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.4 Cg_endo -74.96 0.28 9.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 62.32 111.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . 0.409 ' HA ' HH21 ' A' ' 344' ' ' ARG . 31.0 tt0 -96.7 -39.77 9.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 71.12 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -90.1 -21.18 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 73.35 110.245 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.37 -33.28 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.32 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.956 ' HA ' HD12 ' A' ' 347' ' ' LEU . 6.8 ptp180 -90.85 -6.33 54.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 72.11 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -78.87 -27.98 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 61.55 109.29 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 347' ' ' LEU . 5.3 ptm180 -88.04 -40.74 13.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 63.22 110.313 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 344' ' ' ARG . 17.2 mt -44.44 -59.35 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 63.4 109.321 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.402 ' HG3' HD11 ' A' ' 412' ' ' LEU . 65.1 mt-30 -59.65 -46.22 89.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 54.44 110.335 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -56.67 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 42.13 110.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -44.31 -45.97 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 64.34 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 347' ' ' LEU . 26.0 tp -42.71 -53.85 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 75.34 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 356' ' ' ARG . 4.9 tt0 -55.76 -49.11 74.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 75.14 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.02 -16.38 12.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 71.11 110.326 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.87 ' HB3' HG22 ' A' ' 405' ' ' VAL . 4.3 tpt180 -95.75 -40.59 9.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.34 110.269 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.39 0.48 53.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.52 110.01 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 352' ' ' GLU . 54.6 mtt180 -99.42 -45.3 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 71.14 110.301 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 401' ' ' LEU . 11.6 pt-20 -80.17 3.04 21.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.43 110.255 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.85 ' HA ' HD13 ' A' ' 401' ' ' LEU . 5.2 tt -77.92 -55.39 5.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 72.1 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -56.27 -16.87 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 64.33 110.275 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -76.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 62.44 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.641 ' HB2' HG23 ' A' ' 394' ' ' THR . 13.1 pt-20 -57.06 -22.77 41.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 74.11 110.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.592 HG22 HD13 ' A' ' 398' ' ' ILE . 1.7 t -77.11 -37.48 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.32 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.87 -30.26 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 71.42 109.317 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.543 HE21 HD21 ' A' ' 368' ' ' LEU . 8.1 pt20 -103.77 -24.95 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 51.42 110.299 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.884 ' NH1' HD11 ' A' ' 395' ' ' LEU . 0.0 OUTLIER -37.73 -40.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 71.31 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . 0.411 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.5 pt-20 -90.98 -31.92 16.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 65.33 110.279 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -54.8 -38.12 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 55.14 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.543 HD21 HE21 ' A' ' 364' ' ' GLN . 14.5 mt -43.82 -45.26 7.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 74.11 109.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -41.38 66.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.21 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.62 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -61.19 -28.09 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.22 109.269 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.61 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 49.2 mmm -80.65 -6.07 57.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 75.21 110.987 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.5 mtpt -90.94 -59.8 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 73.12 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.08 -47.76 61.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 71.15 109.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 370' ' ' LYS . 28.5 m -49.02 -37.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 65.21 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.803 ' CE2' HD11 ' A' ' 387' ' ' LEU . 19.2 m-30 -86.63 -26.28 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.34 110.999 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.05 -26.16 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.11 110.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -37.41 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 62.24 109.279 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 381' ' ' MET . 27.4 m -128.49 71.38 80.34 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 73.52 110.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 382' ' ' GLY . 18.3 Cg_endo -74.99 1.7 7.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 74.52 111.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -72.56 -13.87 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 74.41 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.1 OUTLIER -104.41 -4.84 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 73.45 111.005 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 375' ' ' TYR . . . 167.57 -177.73 41.85 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 70.43 111.022 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -135.39 147.11 60.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 74.34 109.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.51 1.794 . . . . 64.12 111.045 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -65.17 -14.47 60.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 75.14 109.258 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 97.6 p -101.1 4.76 42.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 73.43 109.999 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.803 HD11 ' CE2' ' A' ' 375' ' ' TYR . 41.5 mt -110.43 -3.89 15.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 54.32 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.5 mt-10 -72.73 -46.96 9.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 71.34 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -74.98 -9.13 20.67 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 74.01 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.77 -31.31 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 64.52 110.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.683 HD12 ' O ' ' A' ' 387' ' ' LEU . 23.5 mt -77.44 -54.54 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 70.22 109.26 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.95 56.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 62.34 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.06 -34.99 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.12 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.641 HG23 ' HB2' ' A' ' 361' ' ' GLU . 4.9 m -84.98 -11.7 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 64.42 110.412 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.884 HD11 ' NH1' ' A' ' 365' ' ' ARG . 3.0 mm? -96.99 -28.06 14.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.51 109.234 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 7.2 t -90.59 -5.89 55.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 75.32 109.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -97.0 -52.59 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.42 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.592 HD13 HG22 ' A' ' 362' ' ' VAL . 96.3 mt -46.83 -42.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.32 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.581 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -54.48 -39.51 67.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 71.33 110.325 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 39.5 mtt180 -74.28 -38.77 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 73.51 110.298 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.94 ' O ' HG23 ' A' ' 405' ' ' VAL . 1.5 mt -59.21 -55.79 30.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 63.42 109.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 405' ' ' VAL . 6.1 ptmm? -59.2 -58.05 10.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 62.24 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -42.99 -53.31 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 71.1 109.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.71 ' HG3' HH21 ' A' ' 354' ' ' ARG . 20.7 mm-40 -60.57 -33.25 72.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.11 110.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 401' ' ' LEU . 98.9 t -76.15 -6.8 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 75.5 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.84 -57.53 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 73.33 110.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -44.72 -42.0 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 71.32 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 6.3 m-85 -62.26 -57.38 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 61.14 111.001 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -53.42 -21.09 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 62.2 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.49 -21.29 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 71.23 109.298 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.7 m0 -74.0 -38.38 64.12 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.974 -1.121 . . . . 75.34 107.974 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 347' ' ' LEU . 4.1 mm? -39.81 -44.81 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 73.33 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.63 -38.88 38.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.43 109.299 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.9 OUTLIER -64.54 -15.26 60.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 72.11 110.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.66 -63.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.22 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 419' ' ' VAL . 9.2 mt-10 -46.46 -34.41 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.14 110.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 t -47.27 -42.24 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.4 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -60.83 -32.96 72.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.04 110.28 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.851 HG21 ' NH2' ' A' ' 344' ' ' ARG . 36.8 t -70.37 -72.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 74.42 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.1 mt -47.53 -33.37 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 60.31 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 2.0 t -54.28 -68.91 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 72.04 110.003 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -74.08 154.04 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 75.33 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -108.55 169.9 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 70.12 110.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -131.01 24.77 4.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 71.32 111.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 15.8 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 73.41 109.291 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.979 -0.848 . . . . 61.44 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 330' ' ' HIS . 18.3 Cg_endo -75.02 -19.88 17.37 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 52.23 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . 0.563 ' CD2' ' N ' ' A' ' 330' ' ' HIS . 0.2 OUTLIER -92.67 -175.42 3.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 71.11 109.556 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.53 161.03 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 70.34 111.015 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 333' ' ' GLU . 11.3 t -85.6 -165.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 61.53 110.413 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . 0.416 ' N ' ' OG1' ' A' ' 332' ' ' THR . 82.0 mt-10 -107.57 -65.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 74.22 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . 0.402 ' N ' ' OD2' ' A' ' 334' ' ' ASP . 0.5 OUTLIER -106.84 137.47 44.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 74.31 109.367 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' A' ' 338' ' ' LEU . 0.2 OUTLIER -131.2 16.74 5.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 72.43 111.04 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.29 11.13 37.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.15 109.989 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -130.72 22.7 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 75.4 109.613 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 335' ' ' PHE . 0.3 OUTLIER -102.32 165.87 13.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 75.42 109.308 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 343' ' ' GLN . 18.2 Cg_endo -75.05 168.94 23.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 71.25 110.953 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.451 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.01 1.12 8.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.798 . . . . 72.14 111.015 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -81.09 -52.31 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 74.15 110.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.425 ' NE2' HD13 ' A' ' 338' ' ' LEU . 0.0 OUTLIER -96.1 -24.56 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 74.33 110.345 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 339' ' ' PRO . 39.3 tt0 -56.65 -31.55 64.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 71.44 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.485 ' CZ ' ' CD ' ' A' ' 416' ' ' GLU . 7.9 ptm180 -74.29 -26.21 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 75.24 110.286 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -30.0 59.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 63.1 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -38.06 81.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.34 110.258 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 411' ' ' TRP . 4.2 mt -59.41 -61.64 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.21 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.484 ' CG ' HD11 ' A' ' 412' ' ' LEU . 41.6 mt-30 -39.47 -29.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 72.43 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 347' ' ' LEU . 38.1 mt-30 -85.19 -47.87 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 61.25 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 347' ' ' LEU . 18.4 mm-40 -71.71 -6.14 39.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 74.33 110.303 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.953 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.4 tt -84.53 -50.72 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.31 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 21.1 tt0 -63.18 -23.89 67.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 72.53 110.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -76.03 -51.3 12.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 73.3 110.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.825 HH21 ' CD ' ' A' ' 404' ' ' GLU . 9.0 mmt180 -58.83 -33.39 70.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.11 110.276 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 7.0 t -86.37 -1.96 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.4 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.1 mmm-85 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.13 110.296 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.845 ' OE1' HD21 ' A' ' 401' ' ' LEU . 0.6 OUTLIER -99.47 1.44 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 71.22 110.272 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.978 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.4 tt -89.39 -49.69 6.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 74.35 109.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 50.0 tp60 -59.25 -27.38 65.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 74.42 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . 0.473 ' CE ' ' HA ' ' A' ' 357' ' ' GLU . 2.1 ptpt -78.69 -38.78 38.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 73.53 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.564 ' HG3' HD11 ' A' ' 401' ' ' LEU . 5.6 mm-40 -69.36 -36.76 77.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 71.45 110.261 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.68 -39.19 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 72.31 109.256 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 7.9 t70 -56.63 -29.7 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 71.53 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.547 ' HG3' HD21 ' A' ' 368' ' ' LEU . 7.5 pt20 -104.65 -27.68 11.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.2 110.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.755 ' HE ' HD11 ' A' ' 395' ' ' LEU . 0.9 OUTLIER -35.68 -44.39 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 63.25 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -85.44 -36.47 20.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 71.24 110.333 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -51.75 -35.67 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 73.12 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.946 HD13 ' HG2' ' A' ' 390' ' ' GLN . 10.3 mt -45.66 -45.31 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 73.15 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -37.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 65.5 109.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.956 ' O ' HG13 ' A' ' 374' ' ' VAL . 0.0 OUTLIER -65.44 -30.0 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 64.42 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 375' ' ' TYR . 39.6 mmm -73.66 -7.42 51.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 71.32 111.001 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 15.0 mtpt -92.12 -56.57 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 73.13 109.308 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.73 -42.57 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 73.42 109.282 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.956 HG13 ' O ' ' A' ' 370' ' ' LYS . 17.3 m -53.55 -33.78 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 71.21 109.278 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.782 ' CE2' HD11 ' A' ' 387' ' ' LEU . 22.4 m-30 -90.15 -26.74 20.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 71.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -63.72 -26.76 68.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 61.02 110.294 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -35.57 4.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 62.31 109.284 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 381' ' ' MET . 33.3 m -130.07 67.88 80.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 63.55 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.3 Cg_endo -75.03 1.88 7.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 71.41 110.987 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.86 -1.61 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.4 110.277 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -118.93 -4.81 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 75.2 111.005 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 173.19 -164.26 36.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 35.52 111.02 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.416 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 2.0 m-20 -154.28 146.39 17.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 0.799 . . . . 70.31 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.5 Cg_endo -75.04 -24.54 12.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 52.4 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -66.16 -17.38 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 64.11 109.334 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 34.3 m -100.63 7.12 44.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 75.53 109.977 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.782 HD11 ' CE2' ' A' ' 375' ' ' TYR . 71.4 mt -108.65 -12.26 14.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 44.2 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.594 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.6 mt-10 -58.45 -45.41 99.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 75.45 110.245 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.3 Cg_endo -75.03 -6.89 18.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 71.31 110.988 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.946 ' HG2' HD13 ' A' ' 368' ' ' LEU . 5.6 tt0 -99.65 -21.21 15.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 55.13 110.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 372' ' ' LYS . 18.6 mt -89.99 -54.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 72.44 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.76 -23.92 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.31 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 389' ' ' PRO . 15.3 tt0 -78.37 -40.05 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 52.22 110.334 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 398' ' ' ILE . 31.2 m -76.52 -26.55 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 65.13 110.421 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.755 HD11 ' HE ' ' A' ' 365' ' ' ARG . 2.3 mm? -84.36 -28.02 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 65.14 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 42.1 t -88.25 -20.84 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 54.42 110.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 400' ' ' ARG . 92.8 m-20 -86.48 -47.72 9.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 53.44 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 365' ' ' ARG . 46.1 mt -48.08 -28.47 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 73.05 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.797 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.3 OUTLIER -72.57 -36.74 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 75.13 110.308 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 16.4 mtp85 -76.03 -39.88 54.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 75.14 110.297 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.978 HD13 ' HA ' ' A' ' 358' ' ' LEU . 13.8 mt -53.08 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 64.12 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 398' ' ' ILE . 0.0 OUTLIER -40.35 -56.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.1 109.35 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 399' ' ' GLU . 3.6 mm? -42.67 -50.93 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 61.24 109.315 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.825 ' CD ' HH21 ' A' ' 354' ' ' ARG . 2.5 mm-40 -60.33 -36.69 78.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 75.44 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' ' 354' ' ' ARG . 24.6 t -73.21 -5.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 70.12 109.277 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -99.54 -57.8 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 71.33 110.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.602 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 1.9 ptpp? -46.94 -43.39 19.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.43 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.499 ' O ' HD23 ' A' ' 412' ' ' LEU . 5.1 m-85 -62.47 -59.92 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.14 110.97 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.953 ' CG ' HD11 ' A' ' 351' ' ' LEU . 8.2 mt-10 -53.09 -19.93 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 73.21 110.29 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.414 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.47 -22.5 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 65.14 109.271 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -71.99 -40.84 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 75.53 107.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 408' ' ' TYR . 4.5 mm? -39.79 -43.76 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 62.43 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.84 32.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 72.01 109.351 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.3 mm-40 -63.49 -16.06 59.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 65.3 110.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 75.43 109.308 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.485 ' CD ' ' CZ ' ' A' ' 344' ' ' ARG . 31.0 mt-10 -38.47 -50.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 75.51 110.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 23.0 t -51.93 -48.58 64.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 73.51 110.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 415' ' ' ALA . 36.9 mtp85 -57.55 -32.29 66.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.21 110.335 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 39.4 t -73.15 -70.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 71.13 109.327 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.8 mt -41.63 -31.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.03 109.33 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 73.6 m -69.88 -51.56 32.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 43.42 110.016 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 419' ' ' VAL . 7.3 p30 -135.84 118.14 15.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 62.35 109.296 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -96.72 29.69 2.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 74.23 110.319 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.04 14.19 65.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 43.23 111.001 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 65.24 109.268 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.996 -0.842 . . . . 44.5 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -171.72 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 64.12 111.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -153.42 166.2 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.34 109.612 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 2.0 ttt -151.06 155.74 39.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.52 111.037 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 335' ' ' PHE . 13.0 t -124.44 -170.24 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 73.52 110.382 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -91.14 -73.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.24 110.258 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -102.03 121.23 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 63.22 109.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.886 ' CE1' HG22 ' A' ' 332' ' ' THR . 4.2 m-85 -93.14 49.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 73.42 111.016 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 16.6 m -92.87 -55.98 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 53.21 110.011 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -51.77 -28.54 15.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 74.14 109.65 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.458 ' CD1' ' CD2' ' A' ' 335' ' ' PHE . 49.8 mt -55.82 159.84 4.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 75.44 109.245 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.21 23.11 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.503 1.791 . . . . 70.35 111.002 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.468 ' HB2' HG22 ' A' ' 419' ' ' VAL . 18.2 Cg_endo -74.98 -20.55 16.8 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 73.42 110.988 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -78.63 -31.6 47.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.11 110.341 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -23.54 15.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.45 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.72 -30.74 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 72.02 110.296 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -78.44 -6.3 54.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 70.22 110.309 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -84.93 -45.97 11.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 64.31 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.434 ' HD2' ' CB ' ' A' ' 335' ' ' PHE . 3.4 ptt85 -57.14 -31.87 65.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 75.54 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.61 HD13 ' CB ' ' A' ' 411' ' ' TRP . 24.8 mt -63.65 -59.56 4.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.44 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.648 ' CG ' HD11 ' A' ' 412' ' ' LEU . 67.0 mt-30 -42.67 -44.16 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 75.01 110.279 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 351' ' ' LEU . 39.0 mm-40 -65.57 -70.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 70.23 110.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.04 -27.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.23 110.347 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 1.055 HD11 ' CG ' ' A' ' 409' ' ' GLU . 1.3 tt -61.9 -73.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.299 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 44.1 tt0 -53.04 -20.14 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.41 110.301 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -73.61 -42.64 61.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 71.14 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.609 ' HB2' HG22 ' A' ' 405' ' ' VAL . 12.7 mmt180 -68.3 -57.6 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 74.43 110.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 358' ' ' LEU . 1.6 t -53.86 -33.56 56.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 74.34 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 352' ' ' GLU . 5.8 mmm-85 -54.09 -29.94 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 71.22 110.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 360' ' ' LYS . 2.9 mm-40 -105.51 -24.57 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 72.4 110.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.735 ' HA ' HD13 ' A' ' 401' ' ' LEU . 2.3 tt -50.43 -46.03 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 53.33 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 54.6 tp60 -72.36 -26.67 61.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 75.25 110.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . 0.424 ' HA ' ' CE ' ' A' ' 360' ' ' LYS . 0.0 OUTLIER -64.92 -45.15 87.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 72.42 109.274 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.586 ' OE2' HD11 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -76.59 -37.78 55.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 72.45 110.288 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.814 HG23 HG12 ' A' ' 398' ' ' ILE . 1.5 t -74.96 -19.97 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.12 109.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.8 OUTLIER -76.48 -26.55 55.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 54.05 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 4.4 pt20 -104.97 -22.53 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 74.32 110.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.738 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -48.36 -36.01 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 63.42 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 6.1 pt-20 -92.38 -20.11 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 45.41 110.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -80.89 -20.4 42.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.32 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.652 HD11 ' OG1' ' A' ' 394' ' ' THR . 5.0 mt -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 65.12 109.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -50.04 -23.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 63.12 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.994 ' O ' HG13 ' A' ' 374' ' ' VAL . 23.2 mtpt -87.5 -33.65 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.03 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.646 ' C ' HG22 ' A' ' 374' ' ' VAL . 52.5 mmm -66.41 -10.53 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 72.35 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.557 ' HD2' HD11 ' A' ' 391' ' ' ILE . 0.0 OUTLIER -94.42 -61.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 71.33 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 12.1 t0 -45.26 -35.23 3.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 44.45 109.275 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.994 HG13 ' O ' ' A' ' 370' ' ' LYS . 35.5 m -52.87 -44.51 48.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 74.15 109.252 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.614 ' HE2' HD21 ' A' ' 387' ' ' LEU . 18.5 m-85 -80.63 -31.89 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 71.43 110.97 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -54.12 -30.97 50.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.45 110.306 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.6 OUTLIER -111.93 -32.43 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 73.15 109.336 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 380' ' ' GLN . 3.6 m -133.72 69.83 75.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 72.12 110.41 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . 0.497 ' CD ' ' O ' ' A' ' 375' ' ' TYR . 18.5 Cg_endo -74.97 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 64.43 111.023 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.603 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.5 pt20 -70.71 -5.71 31.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 72.1 110.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -114.94 -7.54 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 70.31 111.032 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 164.99 -171.81 40.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 75.44 111.027 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.558 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 48.3 m-20 -132.6 146.96 63.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 74.11 109.284 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.78 19.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 62.21 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 0.417 ' HA ' ' CG ' ' A' ' 388' ' ' GLU . . . -79.14 -2.7 42.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 71.45 109.262 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 14.5 m -101.65 7.06 42.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 71.41 109.983 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.614 HD21 ' HE2' ' A' ' 375' ' ' TYR . 0.4 OUTLIER -119.15 -0.62 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 75.32 109.338 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.0 OUTLIER -68.68 -46.23 34.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 63.25 110.289 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.02 -10.74 21.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 62.24 111.014 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -99.46 -31.28 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.24 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.557 HD11 ' HD2' ' A' ' 372' ' ' LYS . 11.5 mt -60.76 -60.5 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 71.51 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.77 -15.18 39.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 52.03 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 397' ' ' ASN . 15.7 tt0 -83.79 -34.03 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 44.11 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.652 ' OG1' HD11 ' A' ' 368' ' ' LEU . 9.6 m -72.39 -50.57 25.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 63.33 110.372 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.467 ' HA ' HD13 ' A' ' 395' ' ' LEU . 2.8 mm? -58.42 -49.05 78.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 65.34 109.246 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . 0.466 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 5.5 t -68.99 -14.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 73.21 109.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.467 ' HA ' ' CD ' ' A' ' 400' ' ' ARG . 20.2 m-20 -91.11 -22.87 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 44.11 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.814 HG12 HG23 ' A' ' 362' ' ' VAL . 18.7 mt -83.13 -43.41 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 72.12 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.768 ' O ' HD23 ' A' ' 403' ' ' LEU . 0.0 OUTLIER -69.22 -20.73 63.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 75.43 110.355 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 6.7 ptm180 -98.63 -8.5 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 70.04 110.271 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 358' ' ' LEU . 10.8 mt -95.61 -39.97 9.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.5 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.428 ' HD2' HG22 ' A' ' 398' ' ' ILE . 5.2 ptmm? -78.44 -34.96 47.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 74.41 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.8 mm? -59.87 -50.9 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 65.1 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 71.5 mm-40 -61.09 -24.9 66.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 72.42 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.826 HG13 ' CD2' ' A' ' 351' ' ' LEU . 96.7 t -92.29 -4.66 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 64.3 109.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -98.76 -14.26 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 74.35 110.315 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.4 OUTLIER -95.52 -41.05 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.01 109.299 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 404' ' ' GLU . 9.0 m-85 -62.33 -59.96 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 73.13 111.013 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 1.055 ' CG ' HD11 ' A' ' 351' ' ' LEU . 4.9 mt-10 -54.02 -19.38 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 65.34 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.38 -22.01 16.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 72.12 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.615 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.1 m0 -72.85 -42.16 64.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 73.43 107.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.648 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.3 mm? -39.52 -42.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 64.14 109.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.37 -40.55 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 72.21 109.267 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . 3.3 mm-40 -63.5 -14.77 54.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.22 110.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.57 -60.8 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 74.24 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.21 -53.86 7.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 74.24 110.28 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.4 t -45.88 -39.33 8.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 73.14 110.011 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -70.47 -48.14 57.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.12 110.291 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 340' ' ' PRO . 78.9 t -50.17 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 71.45 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.01 -57.28 5.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 64.34 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.2 t -46.21 -36.92 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 71.35 109.969 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -90.58 87.35 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 71.11 109.311 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -117.74 172.17 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 73.04 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -76.6 67.88 2.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 30.23 111.011 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 41.21 109.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.964 -0.854 . . . . 51.51 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -53.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 63.41 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.59 163.08 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 71.35 109.545 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 29.9 mtp -138.19 145.67 41.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 73.41 111.035 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.737 HG21 HH21 ' A' ' 346' ' ' ARG . 11.3 t -64.25 -173.74 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 75.13 110.431 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -42.12 -61.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 63.42 110.277 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.39 110.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 62.45 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.634 ' HA ' HD12 ' A' ' 338' ' ' LEU . 1.8 t80 -75.7 0.13 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 54.41 111.019 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 1.5 t -88.73 -17.44 29.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 44.11 109.978 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -112.09 -18.37 12.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 74.43 109.615 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 335' ' ' PHE . 18.5 mt -39.87 154.79 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 71.21 109.328 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 343' ' ' GLN . 18.2 Cg_endo -75.02 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 71.41 111.016 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.748 ' HB2' HG23 ' A' ' 419' ' ' VAL . 18.3 Cg_endo -75.06 0.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 65.21 110.992 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -95.17 -40.32 9.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 71.24 110.34 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 345' ' ' LYS . 11.6 mt-30 -98.25 -47.39 5.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 64.44 110.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.575 ' HG3' ' CE1' ' A' ' 335' ' ' PHE . 52.4 tt0 -40.63 -35.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.11 110.323 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 416' ' ' GLU . 9.5 ptm180 -67.76 -47.81 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 73.22 110.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 342' ' ' GLN . 2.7 ptpt -49.92 -29.76 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 55.43 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.737 HH21 HG21 ' A' ' 332' ' ' THR . 1.4 mmt180 -68.95 -41.47 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 73.12 110.283 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 411' ' ' TRP . 18.5 mt -65.78 -46.11 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.41 109.272 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.793 ' HG2' HD11 ' A' ' 412' ' ' LEU . 24.4 mt-30 -55.81 -20.03 13.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 72.44 110.319 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -87.64 -75.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 75.44 110.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -46.16 -30.76 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 55.42 110.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 1.021 ' CD1' HG22 ' A' ' 405' ' ' VAL . 0.3 OUTLIER -60.0 -59.13 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 70.32 109.325 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 356' ' ' ARG . 22.1 tt0 -60.42 -21.89 62.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 64.11 110.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 356' ' ' ARG . 75.7 mt-10 -87.87 -10.26 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 64.42 110.317 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.555 ' HD2' HD23 ' A' ' 401' ' ' LEU . 4.2 mmt180 -95.55 -35.92 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 64.53 110.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 358' ' ' LEU . 2.0 t -75.11 -54.8 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 75.13 109.966 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.471 ' CD ' ' N ' ' A' ' 357' ' ' GLU . 0.2 OUTLIER -46.31 -47.55 18.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.45 110.327 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.923 ' CD ' HD21 ' A' ' 401' ' ' LEU . 0.3 OUTLIER -70.75 -22.58 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 74.41 110.304 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.705 ' HA ' HD13 ' A' ' 401' ' ' LEU . 3.5 tt -64.19 -48.91 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 61.04 109.351 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 62.1 tp60 -65.46 -10.06 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 73.33 110.265 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -87.5 -29.72 21.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 74.24 109.292 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 394' ' ' THR . 7.2 mm-40 -78.86 -39.39 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 65.14 110.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.416 ' HA ' ' CG ' ' A' ' 365' ' ' ARG . 3.1 t -79.87 -31.46 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.0 OUTLIER -61.62 -23.88 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.2 109.268 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.608 HE21 HD21 ' A' ' 368' ' ' LEU . 5.5 pt20 -104.61 -25.28 12.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.103 . . . . 61.21 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.509 ' HE ' HD11 ' A' ' 395' ' ' LEU . 3.6 mmm180 -35.24 -62.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.33 110.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.17 -34.31 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 74.21 110.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 364' ' ' GLN . . . -51.1 -50.23 59.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 75.35 109.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.639 HD13 ' HG3' ' A' ' 390' ' ' GLN . 6.8 mt -42.09 -57.78 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.43 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -45.83 -38.96 7.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.12 109.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.92 ' O ' HG13 ' A' ' 374' ' ' VAL . 16.3 mtmt -72.85 -37.0 67.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.22 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.65 ' O ' HG22 ' A' ' 374' ' ' VAL . 61.8 mmm -63.29 -11.01 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 64.14 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.468 ' HE3' ' CD1' ' A' ' 391' ' ' ILE . 1.3 mtpm? -88.47 -55.14 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 72.34 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 18.5 t0 -50.97 -41.02 59.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 72.31 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 370' ' ' LYS . 4.2 m -53.95 -33.41 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 64.31 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.788 ' CE2' HD11 ' A' ' 387' ' ' LEU . 20.5 m-30 -91.48 -27.25 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.42 110.983 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.32 -26.28 68.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 74.1 110.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -115.1 -36.31 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.04 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.541 HG22 ' HG3' ' A' ' 380' ' ' GLN . 4.3 m -130.87 69.03 82.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 72.31 110.391 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . 0.419 ' CG ' ' O ' ' A' ' 375' ' ' TYR . 18.1 Cg_endo -75.07 1.57 7.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 72.51 110.969 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 378' ' ' THR . 2.0 pp0? -73.69 -2.84 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 63.1 110.343 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 378' ' ' THR . 0.0 OUTLIER -117.88 -4.6 11.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 63.23 111.01 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 375' ' ' TYR . . . 169.78 176.99 39.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 23.43 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.424 ' C ' ' CD2' ' A' ' 375' ' ' TYR . 0.6 OUTLIER -127.78 144.4 51.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 61.42 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.46 11.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.799 . . . . 75.33 111.009 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.96 -12.56 51.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 74.25 109.257 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 18.2 m -100.79 9.01 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.53 110.021 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.788 HD11 ' CE2' ' A' ' 375' ' ' TYR . 13.4 mt -117.02 -3.8 11.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 53.1 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.627 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 0.9 OUTLIER -77.98 -43.85 2.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 73.21 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.1 Cg_endo -75.05 -20.65 16.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.556 1.819 . . . . 72.44 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.639 ' HG3' HD13 ' A' ' 368' ' ' LEU . 5.4 pt20 -89.06 -28.19 20.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 64.01 110.276 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 387' ' ' LEU . 12.6 mt -67.9 -56.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 73.41 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -65.07 -11.85 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 62.54 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -85.17 -32.95 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.12 110.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.513 ' O ' HD12 ' A' ' 398' ' ' ILE . 2.0 m -69.22 -34.5 74.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 63.42 110.364 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.509 HD11 ' HE ' ' A' ' 365' ' ' ARG . 2.2 mm? -74.99 -54.58 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 75.22 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . 0.443 ' O ' ' NE ' ' A' ' 400' ' ' ARG . 3.1 t -60.62 -20.09 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 72.25 109.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 393' ' ' GLU . 78.1 m-20 -90.04 -25.55 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 52.32 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 394' ' ' THR . 10.8 mt -77.26 -46.1 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 71.24 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.858 ' O ' HD22 ' A' ' 403' ' ' LEU . 0.2 OUTLIER -62.29 -36.41 82.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 70.51 110.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 400' ' ' ARG . 3.4 ptp180 -83.02 -7.11 59.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 73.01 110.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.923 HD21 ' CD ' ' A' ' 357' ' ' GLU . 2.8 mt -89.92 -74.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.4 109.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.474 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.6 OUTLIER -39.49 -44.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 61.33 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 399' ' ' GLU . 1.1 mp -46.64 -49.68 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 71.23 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 408' ' ' TYR . 21.0 mm-40 -56.3 -44.25 79.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 73.43 110.272 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 1.021 HG22 ' CD1' ' A' ' 351' ' ' LEU . 3.4 t -73.16 -3.86 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 64.44 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -98.48 -40.36 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 71.53 110.289 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.623 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -75.02 -41.01 60.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 75.04 109.358 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.718 ' HB3' HD22 ' A' ' 351' ' ' LEU . 8.7 m-85 -63.91 -59.37 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 61.23 110.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.952 ' HG3' HD21 ' A' ' 351' ' ' LEU . 8.4 mt-10 -54.28 -18.93 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 74.22 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.32 -23.77 15.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.3 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.4 m0 -71.02 -42.01 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 70.01 107.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.793 HD11 ' HG2' ' A' ' 348' ' ' GLN . 4.5 mm? -39.72 -42.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 74.52 109.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.72 28.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 71.54 109.313 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 411' ' ' TRP . 2.9 mm-40 -64.0 -15.02 58.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 75.21 110.267 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -103.93 -64.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 65.12 109.255 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 344' ' ' ARG . 42.8 mt-10 -38.72 -45.54 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 73.54 110.278 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.2 p -39.74 -49.83 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 54.23 110.043 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 -57.96 -45.56 86.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.41 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 340' ' ' PRO . 75.9 t -55.71 -62.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 64.54 109.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.02 -31.79 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 75.03 109.271 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.2 m -72.08 -44.74 62.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 61.15 109.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -138.14 112.55 8.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 63.5 109.254 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -84.35 177.36 8.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 72.23 110.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -134.92 61.98 0.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 74.03 111.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 62.02 109.291 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.003 -0.839 . . . . 63.32 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 73.32 110.979 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -117.96 -177.51 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 52.05 109.616 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . 0.458 ' HE3' HG22 ' A' ' 332' ' ' THR . 10.1 ptm -117.56 177.81 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 71.12 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . 0.604 HG21 ' CE1' ' A' ' 335' ' ' PHE . 5.2 t -59.33 -179.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 45.2 110.359 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -126.33 -152.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 74.45 110.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.4 109.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 73.33 109.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.604 ' CE1' HG21 ' A' ' 332' ' ' THR . 7.1 m-85 -58.2 -21.07 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 55.54 110.984 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -22.88 67.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 60.22 109.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -64.65 -13.72 55.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 75.51 109.595 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.731 HD13 ' OE1' ' A' ' 342' ' ' GLN . 0.5 OUTLIER -88.78 160.19 44.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 60.43 109.289 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 170.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 71.3 111.024 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 419' ' ' VAL . 18.4 Cg_endo -74.93 1.01 8.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 71.52 111.026 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -85.71 -60.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 72.22 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.731 ' OE1' HD13 ' A' ' 338' ' ' LEU . 0.0 OUTLIER -78.94 -17.73 55.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 72.12 110.331 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -57.51 -28.8 63.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 75.35 110.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.84 ' HA ' HD12 ' A' ' 347' ' ' LEU . 0.9 OUTLIER -79.34 -16.43 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.42 110.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.426 ' HD2' ' NE2' ' A' ' 349' ' ' GLN . 0.0 OUTLIER -79.96 -23.9 41.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 73.13 109.316 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 347' ' ' LEU . 1.4 ptm180 -75.26 -30.81 60.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.53 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.84 HD12 ' HA ' ' A' ' 344' ' ' ARG . 4.1 mt -67.14 -73.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 70.34 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.549 ' CG ' HD11 ' A' ' 412' ' ' LEU . 26.7 mt-30 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.11 110.275 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 347' ' ' LEU . 69.6 mt-30 -67.59 -57.4 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.13 110.288 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 408' ' ' TYR . 70.9 mm-40 -62.96 -30.13 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 72.01 110.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 408' ' ' TYR . 0.1 OUTLIER -62.04 -56.76 15.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.51 109.365 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.41 -11.33 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 74.35 110.281 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -87.3 -46.95 9.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 54.42 110.29 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.579 ' HB2' HG23 ' A' ' 405' ' ' VAL . 48.2 mmt-85 -62.12 -53.09 60.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 74.33 110.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 17.8 t -48.54 -23.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 64.25 109.967 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -82.13 -57.86 3.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 64.33 110.333 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.88 ' OE2' HD21 ' A' ' 401' ' ' LEU . 5.4 pt-20 -70.26 -6.27 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 52.5 110.305 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.629 ' HA ' HD13 ' A' ' 401' ' ' LEU . 0.4 OUTLIER -87.28 -52.43 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 75.31 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 363' ' ' ASP . 46.8 tp60 -68.14 -8.14 35.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 75.25 110.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 361' ' ' GLU . 0.0 OUTLIER -84.35 -29.93 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.3 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . 0.755 ' OE1' HG23 ' A' ' 394' ' ' THR . 60.1 mm-40 -96.7 -33.62 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 75.43 110.32 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.837 HG23 HG12 ' A' ' 398' ' ' ILE . 1.8 t -77.07 -19.41 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 71.32 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 359' ' ' GLN . 0.1 OUTLIER -76.78 -26.0 54.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 72.3 109.312 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 367' ' ' ALA . 5.8 pt20 -105.12 -25.15 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.44 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.865 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -44.75 -37.66 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 54.25 110.314 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 365' ' ' ARG . 3.1 pt-20 -88.57 -24.14 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 72.11 110.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 364' ' ' GLN . . . -77.0 -20.42 56.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 50.31 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 391' ' ' ILE . 8.4 mt -56.25 -55.67 30.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 73.14 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -59.18 -22.78 61.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 75.2 109.256 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -77.33 -23.58 50.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 63.51 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.52 ' CB ' HD13 ' A' ' 387' ' ' LEU . 65.7 mmm -80.22 -6.5 57.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 73.51 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 376' ' ' GLU . 12.7 mttt -86.98 -60.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 70.52 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -48.2 -47.89 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 72.23 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.557 HG23 ' CD1' ' A' ' 375' ' ' TYR . 18.3 m -53.84 -39.33 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 74.23 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.658 ' CE2' HD11 ' A' ' 387' ' ' LEU . 12.8 m-30 -84.33 -16.91 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 63.21 111.006 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 372' ' ' LYS . 3.2 mm-40 -75.25 -34.61 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.52 110.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 -40.34 5.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 71.22 109.277 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.804 HG22 ' HG2' ' A' ' 380' ' ' GLN . 12.7 m -116.77 83.01 13.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 62.24 110.372 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 74.4 111.019 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.804 ' HG2' HG22 ' A' ' 378' ' ' THR . 2.1 pt20 -78.48 -0.58 29.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 55.34 110.311 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 3.5 mtt -96.65 -48.24 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 71.34 110.986 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -173.65 -167.29 33.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 41.31 111.015 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -110.97 135.57 20.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 75.43 109.307 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.98 10.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 61.21 110.984 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.94 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 52.43 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 13.7 m -93.78 4.0 54.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 73.52 110.012 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.658 HD11 ' CE2' ' A' ' 375' ' ' TYR . 39.9 mt -107.22 -7.7 16.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 62.51 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 1.3 mt-10 -77.86 -48.04 2.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 72.34 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.2 Cg_endo -75.03 -9.2 20.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 44.04 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.456 ' HG2' HD13 ' A' ' 368' ' ' LEU . 20.6 tt0 -95.62 -35.23 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.22 110.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 387' ' ' LEU . 11.3 mt -60.27 -67.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.5 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.91 -19.95 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.31 109.293 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 12.1 tt0 -79.68 -37.03 36.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.15 110.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.755 HG23 ' OE1' ' A' ' 361' ' ' GLU . 65.7 m -78.38 -33.67 48.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.42 110.343 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.13 -59.07 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 71.53 109.352 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . 0.403 ' HA ' ' CG ' ' A' ' 399' ' ' GLU . 12.7 m -61.7 -19.32 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 64.13 110.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.704 ' O ' HD12 ' A' ' 401' ' ' LEU . 37.5 m-20 -85.46 -20.2 30.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 62.42 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.865 HD11 ' HB3' ' A' ' 365' ' ' ARG . 15.5 mt -82.37 -48.01 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 60.21 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 403' ' ' LEU . 2.8 pt-20 -64.95 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.32 110.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 397' ' ' ASN . 7.6 ptm180 -71.98 -7.85 51.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 75.45 110.353 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.88 HD21 ' OE2' ' A' ' 357' ' ' GLU . 7.5 mt -96.86 -68.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.31 109.337 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.531 ' O ' HG12 ' A' ' 405' ' ' VAL . 12.5 ptpt -43.54 -49.58 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 63.34 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 399' ' ' GLU . 1.9 mm? -45.72 -41.84 11.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 74.53 109.272 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' A' ' 407' ' ' LYS . 38.3 mm-40 -71.41 -32.0 67.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 72.24 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 354' ' ' ARG . 0.4 OUTLIER -73.78 -4.8 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 73.24 109.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -99.1 -58.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 72.12 110.266 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.608 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 0.0 OUTLIER -46.06 -44.79 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.43 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.735 ' HB3' HD23 ' A' ' 351' ' ' LEU . 4.9 m-85 -63.28 -56.51 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.32 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . 0.505 ' CG ' HD21 ' A' ' 351' ' ' LEU . 1.1 mm-40 -55.22 -20.77 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 61.35 110.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -98.25 -23.28 15.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 74.5 109.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 44.9 m0 -70.66 -39.32 73.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 63.41 107.984 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.549 HD11 ' CG ' ' A' ' 348' ' ' GLN . 4.4 mm? -40.29 -44.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 71.12 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.51 -39.82 36.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 52.44 109.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 411' ' ' TRP . 1.1 mm-40 -63.18 -16.03 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 73.34 110.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -101.64 -67.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 54.01 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.93 -43.18 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 63.43 110.262 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 10.7 t -39.11 -44.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 62.11 109.992 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.35 -53.09 60.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 63.24 110.31 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 340' ' ' PRO . 53.9 t -50.25 -58.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 63.03 109.266 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.6 mt -53.15 -33.51 52.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.22 109.29 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . 0.427 ' C ' ' NH1' ' A' ' 423' ' ' ARG . 4.4 p -74.79 -28.6 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 44.33 110.038 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -148.2 116.01 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 75.25 109.301 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.604 ' H ' ' NE ' ' A' ' 423' ' ' ARG . 0.0 OUTLIER -75.73 -176.42 3.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 73.11 110.312 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 159.29 46.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.505 1.128 . . . . 72.12 110.982 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 62.02 109.252 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.021 -0.832 . . . . 62.23 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.79 40.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.773 . . . . 73.11 111.022 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.06 172.09 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 71.0 109.605 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' MET . . . . . . . . . . . . . 40.9 mmm -124.9 157.64 35.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 61.21 110.993 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 14.9 t -100.36 -173.37 2.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 74.42 110.421 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -117.22 -72.24 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 75.32 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 335' ' ' PHE . 64.5 t0 -77.67 144.34 37.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 71.34 109.24 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 346' ' ' ARG . 35.5 m-85 -119.12 63.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 75.14 111.0 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' SER . . . . . . . . . . . . . 85.3 p -103.91 -58.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 61.5 110.029 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . 0.414 ' CE1' ' HG ' ' A' ' 338' ' ' LEU . 33.3 p-80 -44.62 -32.72 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 74.34 109.554 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' LEU . . . . . 0.552 HD13 ' HD2' ' A' ' 346' ' ' ARG . 11.4 mt -70.84 156.65 91.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 60.11 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 70.4 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.28 7.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 61.15 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -98.12 -23.63 15.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 61.34 110.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 345' ' ' LYS . 27.0 mm100 -98.29 -33.33 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 63.32 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -47.45 -51.31 20.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 71.41 110.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . 0.469 ' HG3' ' CD ' ' A' ' 345' ' ' LYS . 9.5 ptm180 -62.2 -21.51 65.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 64.42 110.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' LYS . . . . . 0.647 ' HB2' HH21 ' A' ' 346' ' ' ARG . 0.0 OUTLIER -81.57 -41.54 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 74.24 109.305 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' ARG . . . . . 0.757 ' NH2' HE22 ' A' ' 349' ' ' GLN . 0.8 OUTLIER -53.88 -43.74 69.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 70.05 110.298 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 411' ' ' TRP . 18.2 mt -56.95 -68.22 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 65.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' GLN . . . . . 0.743 ' CG ' HD11 ' A' ' 412' ' ' LEU . 58.6 mt-30 -38.16 -38.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 72.52 110.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.757 HE22 ' NH2' ' A' ' 346' ' ' ARG . 7.6 mt-30 -68.12 -60.17 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 53.01 110.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -61.04 -14.27 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 62.23 110.278 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' LEU . . . . . 0.794 HD12 HG13 ' A' ' 405' ' ' VAL . 15.8 tp -73.21 -50.74 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 65.14 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.74 -36.1 73.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 73.01 110.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 356' ' ' ARG . 3.8 mt-10 -71.15 -60.21 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 75.14 110.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . 0.738 ' HB3' HG22 ' A' ' 405' ' ' VAL . 3.6 tpt180 -45.01 -42.23 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 63.4 110.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . . . . . . . . . 13.5 t -72.13 -31.98 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 55.04 109.974 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 353' ' ' GLU . 12.5 mtt180 -66.27 -50.96 61.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 74.24 110.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' GLU . . . . . 0.753 ' OE1' HD21 ' A' ' 401' ' ' LEU . 3.0 pt-20 -71.22 -5.53 32.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 70.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . 0.982 ' HA ' HD13 ' A' ' 401' ' ' LEU . 1.9 tt -92.96 -47.75 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 70.23 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -71.81 -15.81 62.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.12 110.33 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.2 -25.95 19.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 64.23 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -91.08 -30.04 16.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 73.42 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' VAL . . . . . 0.464 HG22 HD13 ' A' ' 398' ' ' ILE . 2.0 t -77.15 -25.19 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.45 -24.37 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 70.12 109.28 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . 0.513 HE21 HD21 ' A' ' 368' ' ' LEU . 6.9 pt20 -104.98 -27.4 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 62.14 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . 0.55 ' HB3' HD11 ' A' ' 398' ' ' ILE . 0.0 OUTLIER -46.8 -33.83 4.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 64.45 110.228 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . 0.484 ' N ' ' HG3' ' A' ' 365' ' ' ARG . 2.0 pt-20 -84.99 -25.55 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 72.24 110.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 364' ' ' GLN . . . -76.07 -30.03 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 41.03 109.291 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.513 HD21 HE21 ' A' ' 364' ' ' GLN . 15.2 mt -48.47 -54.65 13.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 73.24 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -59.02 -26.22 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.14 109.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . 0.927 ' O ' HG13 ' A' ' 374' ' ' VAL . 22.6 mtpt -78.91 -31.19 45.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 75.22 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' MET . . . . . 0.623 ' O ' HG22 ' A' ' 374' ' ' VAL . 61.9 mmm -68.54 -8.91 45.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 74.43 110.964 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.628 ' HD2' HD11 ' A' ' 391' ' ' ILE . 14.3 mtpt -90.18 -54.46 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.41 109.352 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 377' ' ' LYS . 35.5 t0 -51.45 -39.1 56.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 70.22 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 370' ' ' LYS . 5.1 m -55.82 -33.47 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 74.22 109.281 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' TYR . . . . . 0.879 ' CD1' HG23 ' A' ' 374' ' ' VAL . 17.8 m-30 -91.77 -23.91 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 75.24 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.64 -28.46 68.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 71.03 110.318 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 373' ' ' ASP . 0.0 OUTLIER -114.04 -35.74 4.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 71.21 109.307 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' THR . . . . . 0.887 HG22 ' HG2' ' A' ' 380' ' ' GLN . 4.4 m -125.57 84.92 59.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 44.3 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.39 8.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.761 . . . . 70.13 110.983 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' GLN . . . . . 0.887 ' HG2' HG22 ' A' ' 378' ' ' THR . 7.4 pt20 -82.02 -1.16 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 54.35 110.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' MET . . . . . 0.438 ' CE ' ' HB ' ' A' ' 374' ' ' VAL . 5.9 mtt -90.95 -49.91 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 74.21 111.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.408 ' N ' ' CE1' ' A' ' 375' ' ' TYR . . . -169.52 -158.2 13.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 51.33 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.05 134.64 23.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 55.22 109.31 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' PRO . . . . . 0.415 ' HA ' HD12 ' A' ' 387' ' ' LEU . 18.4 Cg_endo -74.98 -29.33 8.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 75.13 111.009 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.31 66.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 73.41 109.29 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' SER . . . . . . . . . . . . . 15.9 m -92.53 7.72 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 75.43 110.013 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 375' ' ' TYR . 89.3 mt -111.85 -12.29 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.24 109.336 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 389' ' ' PRO . 4.2 mm-40 -72.96 -43.78 8.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 70.41 110.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 388' ' ' GLU . 18.5 Cg_endo -74.95 -8.12 19.83 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.53 1.805 . . . . 71.21 111.0 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . 0.446 HE21 HD22 ' A' ' 368' ' ' LEU . 19.0 tt0 -97.4 -38.14 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 75.3 110.278 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.628 HD11 ' HD2' ' A' ' 372' ' ' LYS . 24.8 mt -62.27 -68.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 73.03 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 396' ' ' SER . . . -49.34 -23.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.52 109.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 397' ' ' ASN . 9.2 tt0 -75.57 -39.71 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.05 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 398' ' ' ILE . 7.8 m -84.83 -16.05 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 63.11 110.408 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' LEU . . . . . 0.54 HD23 HG23 ' A' ' 391' ' ' ILE . 3.1 mm? -95.62 -27.88 15.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 73.22 109.326 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 392' ' ' ALA . 49.5 m -92.03 -7.85 47.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 60.41 110.022 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 393' ' ' GLU . 72.6 m-20 -97.53 -52.87 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 61.2 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 394' ' ' THR . 79.7 mt -45.65 -42.28 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 50.25 109.276 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 403' ' ' LEU . 0.1 OUTLIER -56.19 -38.31 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.23 110.308 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 404' ' ' GLU . 7.1 mtt-85 -80.29 -31.02 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 75.01 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 1.025 ' O ' HG23 ' A' ' 405' ' ' VAL . 22.8 mt -59.19 -70.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 74.21 109.326 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.443 ' HB3' HD11 ' A' ' 358' ' ' LEU . 0.7 OUTLIER -48.77 -55.32 11.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.15 109.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 399' ' ' GLU . 4.6 mp -45.13 -49.08 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 75.12 109.306 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . 0.735 ' HG3' HH21 ' A' ' 354' ' ' ARG . 13.9 mm-40 -66.53 -31.67 72.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 74.41 110.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 401' ' ' LEU . 7.5 t -76.51 -4.89 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 75.22 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -99.05 -58.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.33 110.298 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 411' ' ' TRP . 2.9 ptpt -43.18 -44.56 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 75.32 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 412' ' ' LEU . 9.8 m-85 -61.08 -59.67 4.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 52.33 111.005 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -53.07 -19.98 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 65.3 110.268 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 414' ' ' GLU . . . -98.46 -21.96 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 61.43 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 407' ' ' LYS . 45.4 m0 -73.77 -38.97 64.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 74.13 107.99 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 348' ' ' GLN . 3.7 mm? -39.38 -43.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.43 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.21 27.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 63.25 109.263 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 411' ' ' TRP . 0.8 OUTLIER -63.25 -15.01 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 41.32 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 411' ' ' TRP . . . -104.84 -67.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 42.41 109.31 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.454 ' CD ' ' NH2' ' A' ' 344' ' ' ARG . 39.1 mt-10 -38.86 -46.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 74.34 110.262 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 416' ' ' GLU . 28.2 t -39.57 -53.04 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.21 110.031 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' ARG . . . . . 0.423 ' NE ' ' O ' ' A' ' 414' ' ' GLU . 0.6 OUTLIER -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 74.51 110.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' VAL . . . . . . . . . . . . . 59.2 t -47.08 -62.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 73.53 109.371 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 17.9 mt -44.96 -43.93 9.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 71.22 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.5 t -56.15 -53.02 62.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 72.41 109.997 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -73.18 91.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 63.33 109.272 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -94.28 142.76 27.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 73.44 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -98.61 -20.09 20.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 55.44 111.036 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 53.41 109.304 -179.967 . . . . . . . . 0 0 . 1 stop_ save_