data_1mv3_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 1mv3 _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 ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 89.5 p -161.85 115.3 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -152.45 173.4 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -164.97 162.78 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 22.4 p -137.22 109.73 8.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.22 20.9 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -148.93 175.81 10.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 12.7 tt -167.03 164.51 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -158.33 166.75 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 54.5 t -151.69 144.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -149.05 154.29 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -168.13 166.27 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.588 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -154.94 121.23 2.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.67 15.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.82 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.36 114.84 6.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -156.2 -172.18 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -165.55 -179.85 39.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.74 -167.18 21.82 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -137.93 150.83 47.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 63.6 p -129.58 89.1 47.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -118.6 -141.61 6.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -160.91 162.75 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 70.2 p -129.68 165.95 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 159.78 41.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 7.1 p -110.73 105.4 57.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.3 pt? -119.43 -41.29 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.402 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 52.6 m-20 -112.29 154.87 25.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 160.46 56.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 134.65 18.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.47 29.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.43 -24.52 11.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.0 t80 -36.54 147.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.428 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.2 mtt -110.05 -67.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.503 ' CE1' HG22 ' A' ' 438' ' ' VAL . 21.7 p90 -160.65 174.81 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.03 143.91 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.17 168.18 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -134.58 125.74 27.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -68.35 156.37 37.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -124.58 -1.62 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.467 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -148.61 169.7 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -107.62 102.46 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.57 108.59 16.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -75.38 113.42 12.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.16 115.76 29.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -121.26 94.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 11.8 t0 -140.74 -176.4 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.5 t -78.17 -1.92 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.19 42.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 424' ' ' ASP . 0.4 OUTLIER -92.36 165.05 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.422 ' CD2' ' O ' ' A' ' 454' ' ' GLY . 8.5 tp -124.39 113.54 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.54 133.57 38.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 436' ' ' VAL . 3.9 mm? -125.67 144.78 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.77 131.36 51.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.26 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.19 48.38 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.401 ' OD2' ' CD1' ' A' ' 430' ' ' LEU . 22.7 t0 -110.35 169.07 8.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.41 126.54 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 430' ' ' LEU . 48.6 t -137.32 142.49 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.611 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -102.77 129.41 49.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.503 HG22 ' CE1' ' A' ' 412' ' ' PHE . 4.9 t -80.5 113.32 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.45 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -123.42 152.67 64.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.95 4.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.0 -176.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -79.25 -22.24 45.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -168.13 148.12 4.31 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.06 14.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -20.39 61.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.229 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.63 -9.58 53.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -86.48 148.81 25.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -94.81 174.47 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 108.3 18.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.01 -2.88 58.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.9 m95 -123.38 147.85 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.51 169.05 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.446 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.88 113.26 25.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.45 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -131.47 176.51 19.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.524 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 14.7 p -137.91 137.8 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.85 158.6 35.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.06 -40.65 81.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -38.75 89.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.524 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 61.8 m-20 -63.91 -32.45 73.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.611 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.9 t90 -51.01 -47.42 61.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.07 -26.89 51.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.441 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -94.9 17.18 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -45.21 -23.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -56.91 -30.23 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.33 42.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -37.57 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.53 -17.49 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -109.42 7.41 24.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.09 1.08 9.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -58.91 150.36 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.32 179.06 36.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 153.16 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -158.91 151.05 17.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.03 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -33.98 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.31 -28.64 69.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -89.19 3.76 50.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.418 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -130.52 174.83 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.62 144.98 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -80.68 137.71 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 38.3 t -110.32 116.85 52.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.25 136.97 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.07 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -144.95 -177.97 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -153.73 -177.36 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 9.4 t -148.49 145.79 21.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.428 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.89 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -144.86 122.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -104.4 178.23 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.65 137.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -142.82 170.34 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.49 -177.23 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.64 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -165.66 122.16 1.02 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -166.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -153.45 125.16 3.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -167.55 177.03 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -175.68 -179.2 46.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.23 -168.66 23.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -165.75 174.61 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.353 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 292' ' ' THR . 1.4 t -162.63 111.33 1.08 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.86 8.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -101.82 -179.97 27.78 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 179.91 174.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 15.9 m 62.57 158.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.36 43.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 7.6 p -109.26 104.96 56.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.543 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.15 -39.42 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -109.66 153.68 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.57 160.91 49.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.13 18.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 143.82 29.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.55 -24.43 12.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.0 t80 -36.5 148.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 6.6 mtt -110.5 -65.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.2 p90 -163.2 178.39 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.79 145.36 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.435 ' CG1' HG22 ' A' ' 438' ' ' VAL . 2.5 m -125.14 167.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -134.1 118.79 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -62.83 152.44 36.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.42 -2.64 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.521 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -149.09 169.78 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 419' ' ' ASP . 0.1 OUTLIER -107.65 102.59 11.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.614 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.68 111.72 22.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.05 113.63 14.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.614 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -111.4 117.38 32.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 47.1 p -119.57 94.4 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -141.66 -178.81 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.8 t -84.8 9.01 15.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.81 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.34 170.99 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.471 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -127.23 113.83 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.68 138.55 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.3 mm? -129.84 145.49 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.46 135.16 52.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.25 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.39 48.23 1.72 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 430' ' ' LEU . 28.7 t70 -110.15 168.84 9.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.448 HG22 ' CB ' ' A' ' 457' ' ' GLU . 3.4 m -118.45 124.48 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 430' ' ' LEU . 10.9 t -135.85 144.26 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.54 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -104.03 131.92 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.529 HG22 ' CE1' ' A' ' 412' ' ' PHE . 38.0 t -83.67 113.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.462 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.05 152.67 60.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.52 4.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -59.08 -174.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -81.22 -28.21 34.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.38 148.57 9.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.99 15.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -16.7 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.92 -20.33 22.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -76.99 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 449' ' ' GLU . 5.6 t0 -99.35 170.09 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 1.3 mt-10 -79.79 108.83 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.59 1.84 58.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 4.2 m95 -126.73 153.48 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.438 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -141.85 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.446 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.65 113.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -132.64 174.69 20.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.564 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 8.6 p -136.93 141.99 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.68 159.97 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.448 ' CB ' HG22 ' A' ' 435' ' ' VAL . 8.2 tt0 -57.98 -41.36 82.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -39.59 88.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.564 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 70.3 m-20 -63.65 -33.35 75.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.543 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.2 t90 -51.3 -47.54 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -57.83 -27.08 62.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.466 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -91.99 17.54 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -45.27 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.3 OUTLIER -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 47.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -35.89 82.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -55.22 -18.12 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -108.93 8.37 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 1.76 9.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -61.46 151.51 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.471 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -162.03 -179.5 36.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.81 155.07 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -160.24 152.06 16.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 120.09 5.92 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.17 -36.44 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.1 m-20 -61.56 -31.23 71.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -85.47 1.68 47.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -128.79 171.17 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -130.62 148.64 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.8 mtt180 -79.51 139.26 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 87.4 t -110.92 116.04 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 19.0 t -173.23 136.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.784 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.3 41.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -115.26 -179.32 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -160.76 155.16 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.2 74.19 1.02 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.04 42.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.41 145.84 49.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.7 mm -117.34 160.67 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -134.02 141.49 47.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.293 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.98 126.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.25 157.09 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.55 175.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -156.52 148.49 17.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -173.08 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -168.25 112.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.34 14.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.78 124.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.99 -176.91 48.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 117.6 150.38 9.09 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.23 169.27 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 292' ' ' THR . 14.0 t -170.76 64.58 0.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.0 116.77 4.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 124.43 115.69 2.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -145.35 47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.6 p -116.03 103.14 10.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 110.407 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 160.88 39.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 8.2 p -107.46 104.53 52.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -41.67 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.77 155.55 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.22 160.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.413 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -75.01 134.38 17.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 142.88 28.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.23 -22.61 18.51 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.2 t80 -36.48 152.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.402 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 9.9 mtt -113.59 -67.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 18.9 p90 -160.87 -179.78 7.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.463 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.3 OUTLIER -100.04 146.12 27.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.463 ' O ' ' CE ' ' A' ' 413' ' ' LYS . 6.3 m -125.87 166.21 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -134.24 118.72 17.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -63.72 151.05 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.16 -3.35 9.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.2 m-70 -147.75 169.7 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.635 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -107.64 103.36 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.6 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -116.2 109.71 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.2 m -76.78 114.06 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.426 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.6 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.76 115.43 28.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' A' ' 423' ' ' THR . 0.5 OUTLIER -120.6 93.82 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 11.3 t0 -140.6 -175.51 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.1 t -79.19 -4.88 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -166.76 42.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.474 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 0.0 OUTLIER -91.85 164.94 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 10.5 tp -124.78 112.86 17.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . 0.43 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 2.3 tt0 -77.56 137.57 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.445 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.6 mm? -130.65 143.75 50.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -125.56 129.69 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.87 104.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.73 47.02 2.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -110.25 169.86 8.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.473 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.3 m -119.47 125.48 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 430' ' ' LEU . 12.7 t -136.83 145.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.7 129.42 55.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 412' ' ' PHE . 22.6 t -79.27 119.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.46 HD12 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.17 153.27 76.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.09 -177.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.77 -31.2 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.69 146.37 16.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.38 16.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.76 -25.51 63.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -14.97 45.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.0 tt0 -77.97 146.2 35.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -98.97 169.26 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.83 106.73 14.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.4 58.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -121.0 137.42 54.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.96 170.58 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.9 113.03 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.46 ' CA ' HD12 ' A' ' 439' ' ' ILE . . . -129.55 175.39 19.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.48 HG21 ' CB ' ' A' ' 459' ' ' ASP . 7.5 p -136.83 139.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 0.724 . . . . 0.0 109.294 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -76.91 159.85 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.473 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -57.85 -37.31 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -42.83 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.48 ' CB ' HG21 ' A' ' 455' ' ' VAL . 1.2 m-20 -62.69 -32.26 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.267 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -51.06 -47.49 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 107.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -53.79 -26.35 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -89.03 16.1 7.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 13.5 t60 -45.37 -22.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 462' ' ' GLN . 30.0 pttt -58.7 -39.13 79.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -148.46 51.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -30.31 67.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . 0.482 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 23.6 mt-10 -55.54 -17.62 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.72 7.8 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.69 10.74 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.4 mtm180 -60.63 154.28 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -161.6 -179.03 36.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -129.37 160.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.452 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.3 p90 -162.1 156.34 18.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 1.8 tt0 -68.07 -33.11 73.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.61 -32.24 73.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -82.38 1.81 35.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -131.12 175.55 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -129.56 154.48 47.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.522 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 11.4 mtt180 -89.67 140.74 29.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 45.3 t -112.39 116.03 49.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 111.034 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.75 116.29 0.52 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.968 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.44 2.88 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -128.26 -174.69 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -149.96 -178.06 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.5 t -155.07 133.16 6.81 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.052 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -144.66 150.18 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.8 mp -126.79 135.54 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -123.36 167.87 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.9 p -161.2 127.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -118.07 169.6 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.17 173.81 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -161.97 107.11 1.15 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -120.84 155.96 56.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -130.16 172.86 11.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -118.89 -160.41 11.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -153.68 -147.47 4.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -164.23 -176.08 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 8.8 t -143.99 144.94 28.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.4 Cg_endo -75.04 -169.04 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.9 -160.31 10.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -166.55 155.16 10.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.0 m -127.98 133.11 49.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.97 39.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 11.3 p -115.04 103.81 54.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.21 -38.72 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -115.97 154.75 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 160.38 59.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.39 17.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.565 1.824 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.5 30.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.49 -22.6 12.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.8 t80 -36.82 151.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -112.45 -69.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 21.6 p90 -160.56 175.87 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 145.8 25.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.423 HG12 ' CG2' ' A' ' 438' ' ' VAL . 2.3 m -128.62 163.75 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -132.23 120.12 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.41 156.27 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.56 0.02 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 84.1 m-70 -146.2 169.79 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.611 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -110.17 101.96 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.611 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.2 t80 -114.74 112.22 22.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.36 112.78 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.611 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -107.46 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 43.3 p -119.39 93.94 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -141.99 -178.01 5.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.6 t -79.83 -3.49 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.4 OUTLIER -170.53 46.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.86 171.17 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 7.8 tp -125.42 117.4 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.09 138.34 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.439 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.5 mm? -130.49 145.66 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -127.83 129.14 46.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.46 98.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.66 46.56 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.416 ' OD2' ' CD1' ' A' ' 430' ' ' LEU . 33.3 t70 -110.77 163.67 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.791 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.1 m -113.52 126.53 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.439 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 54.3 t -137.33 145.17 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.65 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -107.42 126.35 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 412' ' ' PHE . 42.2 t -76.72 118.67 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.477 HD12 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.63 152.59 74.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.67 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.58 -172.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.5 -26.62 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -166.95 147.66 5.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.06 19.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.04 -13.41 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -97.18 -22.27 16.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -75.02 145.13 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -95.06 168.63 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 111.61 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.28 -11.87 63.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.9 m95 -116.06 149.35 39.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.504 HD12 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -139.14 172.14 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.74 113.13 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.477 ' CA ' HD12 ' A' ' 439' ' ' ILE . . . -130.0 175.61 19.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 459' ' ' ASP . 9.1 p -137.94 136.48 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.409 ' CG ' HG23 ' A' ' 436' ' ' VAL . 1.4 mtmp? -73.05 160.14 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.17 -37.88 75.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -45.07 88.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 8.2 m-20 -60.18 -31.69 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.65 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.3 t90 -50.93 -47.96 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.042 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -55.74 -25.81 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' A' ' 464' ' ' LYS . 63.2 mm-40 -92.11 17.18 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 6.8 t60 -45.73 -22.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 462' ' ' GLN . 6.7 tttm -58.21 -34.69 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.76 53.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.81 -34.52 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -96.54 9.53 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.11 5.07 8.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.46 154.99 26.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.01 -179.69 34.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.61 155.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.504 ' CE1' HD12 ' A' ' 452' ' ' LEU . 15.1 p90 -163.82 153.18 12.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 119.95 5.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -42.19 84.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.0 OUTLIER -57.17 -28.91 63.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -83.91 2.44 38.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.15 175.62 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.02 144.01 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.7 mtt180 -80.64 135.48 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 57.9 t -106.5 115.53 60.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 59.5 p -177.3 111.86 0.23 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.553 0.796 . . . . 0.0 110.008 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.67 2.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -158.07 175.16 14.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -171.06 177.16 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.62 109.63 0.96 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.41 154.63 23.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.6 tt -166.56 156.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -168.36 136.77 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.49 137.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -153.51 140.49 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -171.93 153.42 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.568 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.11 109.51 0.41 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.84 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -177.73 91.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . 178.12 161.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 157.05 168.71 20.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 158.91 147.12 4.75 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -178.08 143.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.9 m -159.79 122.92 1.95 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -174.45 -126.23 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 71.55 152.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 13.4 t -168.66 157.47 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 161.08 39.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.02 105.79 54.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 0.7 OUTLIER -118.21 -38.57 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 14.4 m-20 -115.51 154.72 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.58 159.59 55.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.57 -22.16 18.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.2 t80 -36.47 150.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.5 mtt -112.6 -69.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.534 ' CE1' HG22 ' A' ' 438' ' ' VAL . 24.7 p90 -158.76 -179.61 8.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.83 145.35 28.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.405 HG11 ' CG2' ' A' ' 438' ' ' VAL . 2.9 m -125.05 167.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -133.79 124.51 26.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.92 154.16 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -122.87 -3.48 8.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.0 m-70 -149.62 170.08 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.01 101.94 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.627 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.4 111.67 22.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -79.53 114.48 18.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.627 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.34 117.52 33.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.1 p -119.09 94.53 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 0.7 OUTLIER -140.7 -175.17 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 7.9 t -74.46 -16.6 60.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.43 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -164.38 53.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 2.3 mm-40 -94.34 171.35 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.415 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 4.6 tp -122.71 114.91 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -85.15 131.29 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.427 HD11 ' CG2' ' A' ' 436' ' ' VAL . 2.7 mm? -121.95 146.69 46.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 127.59 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.95 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 92.85 50.21 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.549 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 4.2 t70 -110.64 168.49 9.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 5.4 m -120.1 117.41 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 430' ' ' LEU . 2.8 t -128.77 149.13 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.664 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -109.07 133.2 53.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.534 HG22 ' CE1' ' A' ' 412' ' ' PHE . 37.5 t -83.39 118.64 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.458 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.48 153.86 75.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 2.0 pm0 -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -169.69 145.11 2.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.51 17.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -67.67 -28.51 67.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 3.0 mt-10 -91.05 -15.86 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.6 tt0 -74.14 133.74 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.482 ' CG ' ' HB2' ' A' ' 451' ' ' TRP . 2.9 p-10 -80.73 175.78 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 120.48 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.26 -15.42 57.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.2 OUTLIER -123.45 159.71 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.88 170.95 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.1 112.76 23.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -134.03 175.82 20.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.514 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 13.1 p -137.89 145.14 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.257 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.549 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 2.4 mtmp? -80.66 160.05 25.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.416 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 3.5 tt0 -56.88 -41.79 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -40.2 95.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.016 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.514 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 65.1 m-20 -63.14 -32.83 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.664 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.7 t90 -51.72 -47.68 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.79 -26.98 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -94.26 16.45 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.11 -23.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -58.4 -31.65 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -130.52 43.0 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 2.9 pp -55.05 -31.2 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -24.02 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -112.03 7.7 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 -10.4 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 8.0 mtm180 -60.22 149.07 34.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -162.22 -179.33 36.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.415 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -124.66 152.96 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.411 ' N ' HG11 ' A' ' 472' ' ' VAL . 24.3 p90 -157.76 149.23 16.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 119.57 5.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.418 ' HA ' ' OG1' ' A' ' 478' ' ' THR . 0.8 OUTLIER -68.39 -31.83 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -30.35 70.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -88.48 3.75 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.503 HG21 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -130.79 176.43 8.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 146.83 51.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.3 140.62 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.55 115.75 48.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.82 101.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.99 151.15 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -177.07 151.74 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 10.0 t -174.88 108.89 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.97 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -169.88 153.25 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 5.6 tt -174.15 158.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -178.74 100.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 282' ' ' ASN . 3.3 t -103.14 158.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . 0.405 ' N ' ' CG1' ' A' ' 281' ' ' VAL . 15.6 p-10 -168.07 148.88 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -171.28 149.05 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -176.1 115.96 0.28 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.61 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.15 116.8 1.1 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -178.72 4.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.82 159.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 121.36 146.05 7.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 167.19 105.48 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -172.33 124.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.39 153.14 81.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 177.94 7.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 179.6 87.25 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -130.54 161.0 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.7 t -149.55 53.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.87 38.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 11.5 p -109.26 105.32 57.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 179.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.655 ' CZ ' ' CE2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -50.27 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.543 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 8.5 m-20 -116.04 156.09 26.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.9 160.96 59.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.455 ' N ' ' NE2' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.98 134.34 17.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.25 31.21 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 85.2 -19.02 24.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.4 t80 -37.7 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.444 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 8.8 mtt -113.68 -70.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 23.1 p90 -161.47 176.88 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.483 ' CD ' HD21 ' A' ' 437' ' ' LEU . 0.0 OUTLIER -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.49 167.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.7 tp60 -133.61 118.12 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -63.19 156.97 23.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -124.97 -1.03 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.489 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.5 m-70 -148.98 169.87 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.572 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -106.98 103.91 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 2.1 t80 -115.26 113.56 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 22.1 m -80.13 114.46 19.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 116.34 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.0 p -120.77 94.27 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.531 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 20.9 t0 -140.56 -178.49 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.4 p -74.58 -6.01 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -168.7 47.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.531 ' OE1' ' CB ' ' A' ' 424' ' ' ASP . 1.1 tp10 -93.75 169.93 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.452 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -128.48 112.48 14.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.87 132.35 37.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 436' ' ' VAL . 2.8 mm? -122.8 145.06 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -125.05 134.26 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.38 99.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.03 47.74 2.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.444 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 29.0 t70 -110.15 169.34 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -117.16 124.82 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 430' ' ' LEU . 3.3 t -137.08 139.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.643 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -99.97 130.94 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.444 ' CG1' ' HE3' ' A' ' 411' ' ' MET . 4.3 t -80.41 110.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.457 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -120.56 153.89 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -54.86 -173.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -90.12 -31.76 16.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -156.48 146.23 15.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.82 20.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.78 -23.89 63.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.82 -21.25 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 3.0 tt0 -72.03 143.48 49.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -104.21 157.17 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.4 108.03 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.61 2.91 56.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.583 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -130.96 150.2 52.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.98 170.45 15.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 2.9 ttm -89.03 113.62 24.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -134.07 161.33 24.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.509 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 13.9 p -120.86 144.97 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.424 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 0.9 OUTLIER -78.73 160.8 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.426 ' CB ' ' CG2' ' A' ' 435' ' ' VAL . 7.3 tt0 -58.25 -40.26 81.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.509 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 40.6 m-20 -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.655 ' CE2' ' CZ ' ' A' ' 403' ' ' ARG . 3.9 t90 -52.73 -47.05 67.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -63.1 -23.57 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -86.99 18.2 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.554 ' CE1' HD22 ' A' ' 466' ' ' LEU . 2.0 t-80 -44.5 -24.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.55 -30.77 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -138.0 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 463' ' ' HIS . 0.2 OUTLIER -63.68 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -17.68 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 7.21 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . 0.413 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -114.21 -11.2 12.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 4.8 mtm180 -62.95 153.11 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.452 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -169.52 179.85 41.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 473' ' ' PHE . 2.9 t -124.18 158.56 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 472' ' ' VAL . 17.5 p90 -164.02 153.17 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.583 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 120.59 6.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.554 1.818 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.43 -39.43 85.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.6 m-20 -58.86 -30.72 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.586 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -84.37 2.96 38.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.504 HG22 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -132.76 176.27 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -136.53 151.25 49.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 2.7 mtt180 -83.43 137.78 33.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.13 117.49 58.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.95 116.78 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -169.59 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -172.68 165.84 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -176.52 171.6 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -171.58 143.42 1.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -75.01 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.1 91.6 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 280' ' ' ARG . 4.3 mt -79.42 149.52 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.424 ' N ' HG22 ' A' ' 279' ' ' ILE . 3.6 ttt85 -109.52 171.36 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.74 155.9 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.12 150.17 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.56 164.86 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.64 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.49 104.58 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.86 151.93 22.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.5 2.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -172.45 140.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -151.22 -177.85 25.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.53 125.9 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -153.3 132.28 12.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 12.0 t -114.97 107.16 50.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.57 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 147.09 105.55 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -128.71 121.68 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 21.0 m -109.56 128.53 55.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.62 38.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 14.0 p -111.91 105.4 56.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.55 ' H ' ' NE ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -124.84 -41.16 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -113.23 154.8 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.9 160.53 55.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 134.44 17.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.98 27.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.13 -22.84 24.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.7 t80 -36.75 147.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 111.007 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.46 ' HE1' ' CG1' ' A' ' 438' ' ' VAL . 7.7 mtt -108.76 -67.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 30.1 p90 -160.37 173.25 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.489 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.1 OUTLIER -93.8 142.8 26.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 436' ' ' VAL . 4.6 m -124.77 160.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 4.8 tp60 -129.58 125.45 36.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -69.2 146.81 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.37 -1.75 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.485 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.6 m-70 -148.62 170.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 p-10 -108.05 106.14 16.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.596 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.4 t80 -114.88 111.65 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 8.7 m -80.19 113.82 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.24 117.54 32.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -118.35 94.24 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -141.04 -174.78 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 7.0 t -85.06 -0.25 53.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.431 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -172.46 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -93.72 170.01 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 471' ' ' GLY . 3.5 tp -123.64 114.35 19.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -83.73 135.68 34.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.524 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 3.7 mm? -128.79 143.98 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.95 124.83 40.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -27.23 108.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.82 48.5 3.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.47 ' CB ' ' HD3' ' A' ' 431' ' ' LYS . 6.0 t0 -107.03 169.09 8.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.489 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 13.9 t -119.31 114.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.524 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 68.9 t -129.65 136.17 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -102.74 128.61 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' A' ' 412' ' ' PHE . 45.5 t -76.65 120.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.465 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.36 153.08 80.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.6 -175.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -26.22 35.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.15 148.67 9.62 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.86 16.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -19.93 62.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.75 -10.22 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.64 152.85 22.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.415 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 13.0 t70 -108.88 164.93 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 111.0 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.25 -5.24 58.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.4 m95 -126.41 153.21 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -143.59 172.36 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.2 114.04 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -133.0 172.37 21.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 459' ' ' ASP . 7.1 p -132.57 139.4 49.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 160.39 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.33 -35.96 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -43.31 75.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.466 ' CB ' HG22 ' A' ' 455' ' ' VAL . 4.9 m-20 -62.43 -32.64 73.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.8 t90 -51.7 -47.64 63.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -55.44 -25.87 38.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -90.51 16.9 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -23.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -57.65 -29.98 65.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -146.41 50.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.97 -17.65 18.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -110.44 7.49 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.99 0.77 9.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.53 146.11 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 428' ' ' LEU . . . -157.5 -179.95 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.5 t -124.94 154.35 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.576 ' CE1' HD12 ' A' ' 452' ' ' LEU . 18.1 p90 -159.61 149.56 14.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 119.14 5.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -35.91 80.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.2 m-20 -62.29 -28.45 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.6 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -88.55 3.1 51.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.505 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.78 173.58 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -127.35 150.24 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -85.54 137.36 32.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . 0.403 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 46.8 t -114.43 117.71 42.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 2.8 t -173.73 113.35 0.33 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -170.12 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -168.91 165.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -152.63 173.79 14.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 4.5 m -162.08 89.54 1.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -151.0 174.42 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.2 tp -171.79 119.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.42 161.55 37.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.8 p -169.64 170.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -170.21 165.36 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -162.32 175.88 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.559 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.87 109.14 0.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.63 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -148.19 140.81 14.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -176.0 2.65 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -155.5 160.33 40.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -167.63 171.75 42.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -154.12 -172.47 22.14 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.78 149.72 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 52.8 m -152.68 112.92 2.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.34 35.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -108.7 -78.52 1.07 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 63.88 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.7 t -161.58 152.71 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 476' ' ' ASN . 13.6 p -106.44 105.13 53.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.18 -34.52 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.51 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 7.1 m-20 -72.63 155.03 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 158.56 31.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.94 136.22 20.25 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.457 1.767 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.34 21.55 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.2 -23.3 15.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.502 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 25.8 t80 -36.84 152.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -115.6 -66.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.526 ' CE2' ' HD3' ' A' ' 480' ' ' ARG . 36.6 p90 -158.88 176.05 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.15 150.28 22.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.2 m -131.92 165.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -133.4 121.4 22.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.41 153.01 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -122.75 -1.48 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.1 m-70 -147.99 169.89 18.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.567 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -107.68 101.43 10.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.4 t80 -111.67 112.4 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.6 m -80.61 114.39 19.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.615 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -112.92 116.4 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.0 p -118.6 92.73 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.423 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 7.6 t0 -142.87 -174.9 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -85.83 -7.41 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -158.28 40.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -98.72 161.78 13.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 454' ' ' GLY . 0.3 OUTLIER -123.29 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -82.26 139.05 34.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.5 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -130.17 141.59 50.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -123.02 131.43 53.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.97 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.17 44.44 3.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -107.03 166.34 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 1.2 m -114.92 124.56 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 18.9 t -136.61 144.94 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.569 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.56 132.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.452 HG22 ' CE2' ' A' ' 412' ' ' PHE . 6.0 t -84.78 118.2 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.09 152.82 73.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.53 4.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.43 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.48 -10.46 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.33 148.48 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.27 -27.86 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -86.01 -10.99 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.01 149.26 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -102.22 169.7 8.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.16 107.34 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.29 -10.24 59.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -123.53 143.27 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.405 ' CD1' ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -131.93 172.41 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.74 112.92 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' A' ' 428' ' ' LEU . . . -128.37 -179.97 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.524 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 11.1 p -138.97 144.7 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.27 158.72 26.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 5.2 tt0 -57.32 -38.2 73.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -40.04 87.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.524 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.4 m-20 -60.0 -33.14 71.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.569 ' CE3' HD11 ' A' ' 437' ' ' LEU . 3.7 t90 -52.52 -47.94 66.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -67.52 -25.18 65.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -85.56 18.53 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.634 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.83 -24.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.619 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.91 -32.73 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -139.01 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -32.03 70.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -61.04 -23.73 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -109.38 7.39 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -8.7 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -61.69 151.65 33.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -167.11 178.59 41.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -122.17 160.08 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.5 p90 -163.39 154.04 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 117.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.43 -29.82 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.459 ' HB2' ' CG1' ' A' ' 310' ' ' VAL . 0.6 OUTLIER -67.56 -29.15 68.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.605 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.525 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -130.02 175.72 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.75 148.56 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.526 ' HD3' ' CE2' ' A' ' 412' ' ' PHE . 3.7 mtt180 -82.47 141.47 32.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.6 124.43 29.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 83.8 p -175.03 110.36 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 110.033 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.93 3.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.99 153.48 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . 178.32 173.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.91 110.05 0.83 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.13 170.88 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.99 137.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -148.75 150.51 33.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.0 p -169.49 163.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.83 167.77 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -164.85 176.81 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -176.65 126.3 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -172.86 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.792 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.99 139.23 14.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.67 3.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -159.14 170.72 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.38 -177.24 23.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.99 -172.18 31.14 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -149.73 174.87 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 8.3 t -175.43 69.8 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.56 12.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -157.1 -165.8 15.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -168.37 175.23 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.4 m -152.72 151.05 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 160.09 40.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 2.9 p -113.72 104.12 55.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.68 -34.97 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -111.71 155.35 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.7 161.4 47.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.96 18.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.79 22.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 92.15 -23.31 27.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.08 148.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -107.48 -69.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.2 p90 -159.98 177.11 11.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.483 ' NZ ' ' CD2' ' A' ' 437' ' ' LEU . 0.3 OUTLIER -94.51 144.98 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 438' ' ' VAL . 1.8 m -132.73 163.2 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.437 ' N ' HG23 ' A' ' 481' ' ' VAL . 1.5 tp60 -134.61 124.66 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.11 154.6 37.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 478' ' ' THR . 3.8 mt-30 -124.45 -1.56 8.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.476 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.0 m-70 -147.97 169.97 18.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.74 100.62 9.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.606 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.1 t80 -111.28 108.99 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.3 m -77.59 113.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.606 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.12 117.94 34.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.1 p -119.16 94.09 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.54 -177.51 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -84.91 6.65 24.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.42 45.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.67 170.37 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.413 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -125.53 113.52 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -81.97 135.57 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.496 ' CD1' ' OD2' ' A' ' 434' ' ' ASP . 3.2 mm? -126.83 147.99 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.83 129.85 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.19 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.69 47.35 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.498 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 26.0 t0 -111.05 166.81 10.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 457' ' ' GLU . 2.8 m -117.17 121.93 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.476 HG23 ' CD1' ' A' ' 430' ' ' LEU . 24.3 t -133.22 149.8 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.483 ' CD2' ' NZ ' ' A' ' 413' ' ' LYS . 0.1 OUTLIER -113.71 128.29 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 412' ' ' PHE . 55.9 t -77.08 120.64 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.95 4.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.44 -172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -86.5 -20.88 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.406 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -169.48 149.22 3.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . 0.406 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.01 -17.73 19.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -19.56 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -90.53 -7.99 51.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.458 ' CG ' ' HA ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -92.24 149.65 21.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.468 ' OD1' ' CD1' ' A' ' 451' ' ' TRP . 6.3 t70 -106.43 166.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.32 111.15 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 95.82 6.87 59.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 5.2 m95 -131.57 156.02 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -146.72 169.1 19.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -90.83 112.76 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -135.06 166.91 24.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.568 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 9.7 p -129.97 145.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.498 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 3.4 mtmp? -75.99 163.75 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.45 ' CB ' HG22 ' A' ' 435' ' ' VAL . 3.5 tt0 -59.49 -44.99 92.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -40.76 75.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.568 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 88.9 m-20 -67.11 -31.3 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -50.08 -47.2 53.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.53 -26.58 43.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.498 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -88.5 16.57 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.28 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.597 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.2 mttp -58.33 -40.67 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -147.62 47.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -70.8 -30.2 66.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 2.3 mt-10 -55.45 -17.17 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -101.79 8.09 41.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 469' ' ' CYS . 0.5 OUTLIER -130.3 8.51 5.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.433 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -57.12 155.3 8.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.413 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -158.24 -178.88 32.69 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.85 157.19 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -164.61 152.9 10.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.98 122.2 7.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.76 -40.54 79.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.9 OUTLIER -59.21 -28.91 67.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.57 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -83.95 1.21 44.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.81 -179.92 5.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.84 154.26 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.478 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 9.2 mtt180 -78.5 138.48 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 415' ' ' GLN . 2.4 t -106.1 118.82 54.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.99 105.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 171.91 17.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.23 175.49 9.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -140.23 157.63 45.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 89.7 m -132.83 118.76 15.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.1 23.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.35 160.99 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.96 136.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.54 150.87 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.45 140.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -136.96 177.6 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.87 175.44 13.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.55 146.05 10.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.63 10.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.504 1.792 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.45 122.77 17.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.75 42.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.02 39.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.55 170.56 29.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.92 163.9 35.02 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -152.72 147.95 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 292' ' ' THR . 12.9 t -172.55 89.78 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.38 24.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 295' ' ' ALA . . . -144.62 144.73 13.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 294' ' ' GLY . . . 167.04 104.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.7 p -111.73 -23.02 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.409 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.99 42.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 5.0 p -107.83 105.05 55.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.403 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -124.65 -42.42 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -114.98 155.02 27.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 160.49 58.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.69 18.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 144.19 30.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.21 -21.19 22.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.92 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.965 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -111.76 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.557 ' CE1' HG22 ' A' ' 438' ' ' VAL . 32.5 p90 -161.2 174.39 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.0 150.5 20.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' A' ' 438' ' ' VAL . 1.4 m -132.78 166.42 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -132.82 122.95 25.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.487 ' CB ' HD23 ' A' ' 430' ' ' LEU . . . -65.39 151.5 46.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 478' ' ' THR . 4.0 mt-30 -120.48 -3.28 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.473 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.3 m-70 -149.26 169.63 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -105.64 104.39 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.602 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.2 t80 -114.07 108.82 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -78.71 113.6 16.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.602 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.38 118.15 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 41.7 p -118.63 94.36 4.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -141.35 -175.93 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -87.06 7.36 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -177.04 39.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.75 170.71 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.21 113.6 17.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.7 137.11 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -130.23 149.32 51.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -128.59 133.94 48.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.76 99.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.23 48.46 1.71 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.409 ' HB2' ' HG2' ' A' ' 431' ' ' LYS . 13.2 t70 -109.82 169.55 8.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -118.46 121.49 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.3 t -133.98 143.55 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.646 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.29 131.43 54.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.557 HG22 ' CE1' ' A' ' 412' ' ' PHE . 96.9 t -80.91 120.8 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.459 HD11 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.87 152.45 79.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.98 -171.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -85.21 -16.42 40.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.409 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -176.11 148.1 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . 0.409 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.1 Cg_endo -75.05 -19.7 17.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -92.49 -12.21 32.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.16 148.83 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -99.02 174.01 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.89 112.21 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.79 -9.76 62.14 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 3.0 m95 -117.18 158.82 23.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.456 HD12 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -149.45 170.85 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -91.92 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.459 ' CA ' HD11 ' A' ' 439' ' ' ILE . . . -130.21 175.5 19.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.443 ' CG1' ' HG ' ' A' ' 437' ' ' LEU . 8.9 p -136.16 142.28 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.266 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.402 ' HD2' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -79.57 159.94 26.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.39 70.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER -60.43 -32.66 71.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.646 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.2 t90 -51.21 -47.79 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -54.37 -25.39 24.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.446 ' C ' ' N ' ' A' ' 464' ' ' LYS . 69.7 mm-40 -91.14 16.88 8.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -45.61 -22.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -57.79 -29.61 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -149.71 56.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 0.3 OUTLIER -69.52 -31.17 69.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.12 -17.89 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.05 7.78 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 -1.55 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 13.3 mtm180 -66.52 155.49 37.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.67 177.22 36.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.92 155.03 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.297 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.456 ' CE1' HD12 ' A' ' 452' ' ' LEU . 16.2 p90 -162.87 153.26 13.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.07 119.93 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -33.68 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -27.81 69.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -87.11 4.52 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.42 178.82 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -133.09 144.65 50.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.46 142.25 33.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.46 115.43 34.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 94.4 p -159.96 148.53 13.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 179.19 6.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.95 170.99 14.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -143.18 174.51 10.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.29 147.75 63.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -148.04 155.11 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 2.2 tt -138.35 155.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.06 167.67 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.09 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -146.64 167.91 22.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.55 174.65 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.01 147.6 19.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.68 4.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -134.47 146.11 57.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.56 14.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.574 1.828 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.0 163.41 32.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -110.55 -170.59 19.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.456 1.098 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -152.69 -155.52 7.13 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -144.74 172.47 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 6.6 m -139.44 136.08 17.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.57 -146.46 7.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -151.21 168.2 25.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 17.1 m -151.0 128.12 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.22 35.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 2.5 p -105.93 104.45 49.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.474 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -119.75 -39.7 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -112.82 153.34 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.66 161.46 53.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.28 17.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 141.46 26.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.769 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.64 -23.4 16.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.8 t80 -35.98 154.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -116.2 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 22.0 p90 -162.01 175.8 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.482 ' CD ' HD23 ' A' ' 437' ' ' LEU . 0.0 OUTLIER -94.15 144.29 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 436' ' ' VAL . 5.2 m -125.6 164.73 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -134.07 119.31 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -63.87 157.16 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.18 -2.38 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.7 m-70 -148.48 170.55 17.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.2 OUTLIER -109.17 104.67 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.63 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.5 t80 -115.2 120.39 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 55.3 m -85.02 114.86 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.63 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -111.97 116.56 30.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -119.1 94.4 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 16.3 t0 -141.84 -174.74 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -79.23 -14.53 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -160.22 45.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -92.35 170.58 9.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.478 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -126.29 118.24 24.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -84.98 127.96 34.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.22 145.39 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.49 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -128.05 131.01 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.73 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.66 42.39 3.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.49 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 12.9 t0 -103.98 164.75 11.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 3.4 m -118.06 117.71 55.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 414' ' ' VAL . 2.5 t -131.49 141.73 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.654 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -102.15 132.32 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 412' ' ' PHE . 32.5 t -80.23 116.1 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -124.08 152.93 67.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.77 4.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.443 1.759 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.85 -172.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -83.93 -20.44 32.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.89 148.16 1.66 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.89 14.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.11 -24.75 64.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.49 -12.48 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.46 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.4 142.73 29.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -84.9 173.43 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.31 108.73 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.27 -4.25 58.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.584 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 1.5 m95 -122.72 141.95 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -128.4 169.68 14.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 1.2 ttm -88.77 113.55 24.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -133.23 167.5 23.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.573 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 8.9 p -131.11 142.49 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -75.08 160.13 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.69 -41.7 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -38.61 84.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.573 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 54.7 m-20 -66.14 -32.39 73.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.654 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.7 t90 -51.58 -48.53 63.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -55.93 -25.41 43.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -89.99 17.58 6.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 3.2 t60 -45.65 -22.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -58.22 -30.77 66.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -159.26 51.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -69.75 -30.19 67.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.2 OUTLIER -53.56 -20.77 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -99.83 8.11 44.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.46 6.65 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.443 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 4.0 mtm180 -60.57 152.97 24.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.478 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -160.04 -179.85 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -122.83 155.67 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -160.47 151.83 16.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.584 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.97 119.6 5.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -35.7 78.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.0 OUTLIER -62.47 -31.5 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.567 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -85.04 0.72 50.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -128.71 174.39 9.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -131.56 153.07 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.9 mtt180 -86.95 133.68 33.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.267 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.14 119.59 56.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.48 107.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.016 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -168.73 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . 178.05 162.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -169.33 168.02 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 9.0 m -161.15 100.86 1.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.72 145.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -169.8 123.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -140.23 121.22 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 282' ' ' ASN . 51.3 t -125.79 162.84 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . 0.429 ' N ' ' CG1' ' A' ' 281' ' ' VAL . 0.7 OUTLIER -169.89 163.41 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -177.74 178.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 173.49 114.26 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -174.66 92.62 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . 179.02 167.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 161.15 168.8 23.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 165.6 156.84 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -167.94 176.09 6.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 105.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -158.45 -161.48 11.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -178.63 156.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 78.6 m -156.16 135.05 11.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 161.02 39.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 9.9 p -110.6 113.67 55.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.1 pt? -119.14 -40.6 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.534 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 34.8 m-20 -112.39 155.12 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.0 161.39 58.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.426 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -75.01 134.27 17.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.28 24.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.771 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.77 -24.41 15.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.5 t80 -35.74 150.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 111.026 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.465 ' HE2' ' CG1' ' A' ' 438' ' ' VAL . 11.0 mtt -112.55 -68.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 17.9 p90 -160.77 177.92 9.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.433 ' CD ' HD21 ' A' ' 437' ' ' LEU . 0.0 OUTLIER -95.59 146.04 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 436' ' ' VAL . 6.1 m -128.03 166.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.5 121.49 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.55 154.16 39.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -122.47 -3.39 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.518 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.1 m-70 -149.06 170.2 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 9.2 t70 -106.78 101.48 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.588 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -114.0 110.32 19.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.93 116.63 16.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 112.9 24.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' THR . . . . . 0.546 ' N ' ' OE1' ' A' ' 427' ' ' GLU . 21.3 p -120.01 92.51 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.426 ' CB ' ' HG3' ' A' ' 427' ' ' GLU . 38.9 t0 -141.92 178.07 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.4 t -71.46 -4.51 26.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -169.73 44.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 423' ' ' THR . 1.9 mt-10 -92.09 167.93 11.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.92 119.96 30.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -85.52 134.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.519 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.3 mm? -128.82 143.66 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.11 133.77 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.0 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.99 47.06 1.8 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.478 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 21.6 t70 -109.41 168.55 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -117.09 122.84 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.519 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 4.4 t -134.82 142.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.565 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -104.72 132.61 50.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.465 ' CG1' ' HE2' ' A' ' 411' ' ' MET . 5.5 t -80.94 114.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.472 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.47 153.27 62.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.46 -178.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -87.28 0.33 55.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.54 147.34 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.27 20.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.1 -21.62 61.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -11.9 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 3.1 tt0 -84.09 144.97 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -105.27 164.39 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 108.39 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.04 -11.39 58.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.0 OUTLIER -119.31 150.93 39.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.581 HD11 ' CE1' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -141.14 172.1 13.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.61 114.66 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.472 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -134.54 169.24 23.2 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.557 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.4 p -133.03 145.53 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -78.33 160.37 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.29 -43.73 88.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -38.54 78.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.557 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 3.1 m-20 -66.57 -31.44 72.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.565 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -50.51 -47.63 57.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -56.35 -25.44 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -88.07 16.82 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 405' ' ' ASP . 0.2 OUTLIER -45.45 -23.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.1 mtpm? -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.04 42.02 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.71 -29.89 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -55.35 -18.32 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -102.01 7.06 41.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.6 3.57 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -57.93 154.41 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -158.72 -179.69 33.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.9 156.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' A' ' 452' ' ' LEU . 22.7 p90 -160.45 149.12 13.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 119.76 5.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' A' ' 478' ' ' THR . 2.3 tt0 -67.38 -37.53 83.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.3 m-20 -60.88 -28.42 68.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.603 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -88.52 3.01 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.539 HG22 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.91 173.36 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.29 155.87 47.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -88.58 134.96 33.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.16 117.96 58.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 112.34 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.027 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.7 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -160.75 178.67 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -167.52 175.32 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 6.5 t -174.23 95.61 0.31 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -175.52 2.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.05 163.47 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.2 tt -163.7 172.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -172.43 161.02 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.13 134.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -141.86 154.95 45.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.19 150.06 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.59 121.41 3.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.76 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.03 96.42 0.53 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.68 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.96 178.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 171.07 176.01 39.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 170.04 157.74 12.82 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.13 178.89 8.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.5 t -177.06 104.15 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -166.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 164.83 161.43 13.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -174.32 179.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.5 t -160.61 177.03 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 161.88 37.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 12.5 p -106.04 105.99 55.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.485 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -37.86 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.43 155.1 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.3 161.06 47.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.33 17.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.53 27.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.47 -22.23 14.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.2 t80 -36.09 152.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.464 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 10.0 mtt -113.02 -70.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 12.3 p90 -160.57 175.57 12.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 140.19 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.34 163.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -133.88 120.05 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.58 150.09 49.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.81 -3.94 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.502 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.0 m-70 -145.88 170.44 16.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.35 105.5 15.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.7 OUTLIER -114.98 108.77 17.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -76.86 113.89 15.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -105.98 116.98 32.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 70.6 p -117.27 92.42 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -144.02 -174.13 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 1.5 t -92.02 8.44 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -178.82 61.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.424 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.0 OUTLIER -119.07 171.62 8.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.88 113.99 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.9 138.88 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 436' ' ' VAL . 3.8 mm? -130.68 136.9 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.5 127.29 50.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.532 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -30.24 105.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.34 3.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.499 ' CB ' ' HD3' ' A' ' 431' ' ' LYS . 6.5 t0 -103.52 164.66 11.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.05 116.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 430' ' ' LEU . 40.8 t -131.49 145.1 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.671 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -106.86 130.47 54.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.498 HG23 ' CE1' ' A' ' 412' ' ' PHE . 7.2 t -77.8 119.4 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.451 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.71 153.32 79.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.92 -171.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.79 -9.47 55.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 177.74 148.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.03 17.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.37 -22.99 61.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.83 -9.37 54.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.17 148.35 23.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -100.07 166.91 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.34 110.55 13.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.71 3.36 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.2 m95 -134.39 145.31 48.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.441 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -134.11 171.68 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.457 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -90.87 113.56 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.451 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -131.86 169.79 21.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.559 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 11.1 p -132.26 145.32 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 160.42 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.39 -42.52 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -39.15 88.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.559 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 82.4 m-20 -64.23 -31.71 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.671 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 -51.73 -47.44 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -57.03 -25.53 58.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.499 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -89.75 17.24 6.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.8 OUTLIER -45.82 -22.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 4.8 tttt -58.59 -30.57 67.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.86 51.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -30.48 67.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . 0.504 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 3.5 mt-10 -55.67 -17.56 6.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -100.17 8.16 44.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 5.7 p -130.78 8.4 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.504 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -58.27 154.93 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -164.02 175.5 40.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.12 156.44 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -160.79 152.59 16.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.59 -35.09 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.0 OUTLIER -63.35 -27.16 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.6 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -88.1 4.03 46.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -132.97 152.19 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 36.3 t -111.78 132.84 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 110.992 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 78.9 p -177.95 120.2 0.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -174.05 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -151.72 173.94 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.32 172.67 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 276' ' ' THR . . . . . 0.52 ' O ' ' CG2' ' A' ' 276' ' ' THR . 4.7 t -156.28 106.29 2.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.54 9.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.42 159.14 12.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.8 tt -169.87 132.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.79 147.75 41.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.0 p -158.18 135.03 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.87 174.32 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.06 134.23 1.95 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -151.79 91.52 3.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.52 18.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.07 178.8 6.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 175.89 159.01 20.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 172.03 104.82 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -59.72 167.56 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 53.3 m -150.6 89.81 4.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -123.75 -136.04 4.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -159.19 158.37 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.796 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 10.9 t -115.54 149.68 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 7.3 p -104.91 105.75 52.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.02 -34.02 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.518 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 25.9 m-20 -75.43 156.81 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.21 158.3 34.2 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.401 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.4 Cg_endo -75.03 136.91 20.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.08 23.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.75 -23.5 16.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 409' ' ' GLY . 16.3 t80 -35.67 149.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.1 mtt -112.14 -69.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.522 ' CE1' HG21 ' A' ' 438' ' ' VAL . 19.2 p90 -154.83 179.62 8.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.456 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.2 OUTLIER -103.75 142.22 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' A' ' 438' ' ' VAL . 3.1 m -124.26 164.36 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -131.33 122.15 25.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.45 153.4 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -122.19 -3.63 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.519 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -148.69 170.12 18.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.27 101.66 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.603 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -110.07 112.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.52 112.7 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.603 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -109.06 116.2 31.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.1 p -118.77 92.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.479 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 43.7 t0 -141.62 176.87 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.6 t -72.8 -3.33 24.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -175.58 56.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 424' ' ' ASP . 3.3 mm-40 -101.78 168.56 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.1 tp -118.24 113.86 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . 0.496 ' O ' ' CD ' ' A' ' 456' ' ' LYS . 2.9 tt0 -84.73 138.22 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.47 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -130.63 145.94 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.5 129.03 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.21 105.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 91.31 49.96 2.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.419 ' OD2' ' CD ' ' A' ' 431' ' ' LYS . 39.4 t0 -113.32 170.72 8.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 2.6 m -119.31 128.37 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.47 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 4.7 t -137.06 144.88 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.661 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.03 133.31 52.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 412' ' ' PHE . 54.2 t -82.06 117.94 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.471 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.35 151.83 75.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.75 -172.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -12.53 50.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.43 148.32 0.51 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -20.56 16.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.55 -21.54 60.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.4 -10.13 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.85 148.67 25.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 15.7 t0 -91.83 172.22 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.16 106.98 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 102.24 -7.87 54.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -122.41 135.45 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.01 168.3 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -87.47 113.18 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.471 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -133.91 175.89 20.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.559 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 8.5 p -136.77 145.31 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -80.09 159.34 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 5.1 tt0 -57.73 -37.36 73.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -44.57 95.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.559 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 35.8 m-20 -59.7 -32.2 70.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.661 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 -51.13 -48.18 61.84 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -68.8 -25.97 64.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -86.72 19.04 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -44.92 -23.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.578 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -56.86 -30.19 63.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.01 45.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -42.94 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -16.19 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 7.48 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.41 0.11 9.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -55.04 134.26 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -157.82 179.86 33.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.67 166.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 24.5 p90 -160.62 154.43 19.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.03 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 475' ' ' GLU . 1.6 tt0 -67.76 -29.5 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.2 m-20 -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.621 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -91.15 5.06 50.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.527 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -131.74 174.37 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.57 155.64 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.9 mtm-85 -89.24 140.33 29.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 43.0 t -110.28 119.2 47.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 20.8 t -168.43 94.55 0.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.5 5.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -175.1 143.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 276' ' ' THR . . . -175.35 137.05 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 276' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 275' ' ' ALA . 8.0 m -161.37 107.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.53 107.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -168.84 119.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.72 170.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 73.3 t 64.0 124.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 5.2 p30 178.48 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -171.01 174.9 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.92 103.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -179.34 71.1 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.73 17.75 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -175.76 174.63 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 150.16 151.39 5.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 149.93 149.51 5.02 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . 171.91 168.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 7.1 t -163.51 144.7 7.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -99.03 -151.84 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . 0.499 ' O ' ' CG2' ' A' ' 296' ' ' THR . . . -178.96 170.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 296' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 295' ' ' ALA . 13.6 t 49.55 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.68 36.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.428 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 7.2 p -104.89 105.69 52.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.958 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.632 ' H ' ' NE ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 -41.83 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -111.49 154.2 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.76 159.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.405 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.98 133.86 17.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.87 28.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.72 -22.84 15.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.4 t80 -36.59 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 0.784 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.5 mtt -115.19 -72.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.578 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 20.7 p90 -159.39 173.41 16.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.2 OUTLIER -95.87 143.42 27.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -127.62 164.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -129.56 126.38 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -70.21 151.92 44.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -120.29 -3.12 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.516 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.0 m-70 -145.94 170.86 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.555 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.31 105.82 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -113.27 117.15 31.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 7.1 m -86.56 113.01 22.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.595 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -106.34 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 45.2 p -115.14 90.78 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -145.08 176.59 9.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.2 t -85.76 13.49 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 176.84 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.445 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.2 OUTLIER -120.47 172.4 7.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.19 113.14 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.93 123.28 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 473' ' ' PHE . 4.5 mm? -112.06 149.12 32.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.6 131.39 46.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.333 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.0 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.27 49.47 2.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -111.45 170.24 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.6 m -119.27 123.39 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 430' ' ' LEU . 2.3 t -135.66 142.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.59 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -106.11 132.34 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 412' ' ' PHE . 69.7 t -82.0 115.94 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -125.54 152.11 71.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.22 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -25.18 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -167.25 148.84 5.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.3 Cg_endo -75.02 -18.07 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -19.35 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -94.07 -6.52 44.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.01 150.11 21.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 24.0 t0 -98.47 171.05 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -83.38 108.5 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.48 -8.37 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.597 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -123.46 135.48 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -122.73 170.9 9.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.7 ttm -86.68 113.19 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -132.54 172.28 21.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.505 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.3 p -136.17 144.99 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 109.268 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -76.43 160.76 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.26 -41.54 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -43.69 98.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.505 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 27.5 m-20 -59.78 -34.13 72.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.59 ' CE3' HD13 ' A' ' 437' ' ' LEU . 5.2 t90 -52.7 -43.14 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 461' ' ' ASN . 1.1 m120 -53.82 -26.59 24.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 39.8 mm-40 -96.37 19.5 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -44.74 -22.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.546 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 11.9 tttm -57.14 -29.67 63.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -149.35 52.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -32.08 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -18.4 7.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -106.04 7.7 31.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.8 7.88 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -61.61 152.19 31.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 453' ' ' MET . . . -161.67 -179.58 36.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -129.48 158.95 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.24 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.435 ' CB ' HD21 ' A' ' 430' ' ' LEU . 16.4 p90 -164.33 157.02 14.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.597 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 118.1 5.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.81 -31.74 70.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.8 OUTLIER -65.93 -30.94 71.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.605 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -84.01 3.74 33.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.564 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -131.0 176.92 7.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -132.2 144.68 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.578 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.0 mtt180 -78.65 139.47 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 40.0 t -114.01 117.41 43.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 110.968 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 26.0 t -169.06 128.56 0.96 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -146.17 177.87 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.67 174.29 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 276' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 37.4 p -146.0 144.29 21.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -74.97 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.59 167.49 22.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.5 tp -142.68 137.18 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -119.01 170.96 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.7 p -144.22 166.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -148.05 174.65 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -141.7 178.11 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.19 146.55 37.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -171.01 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -138.59 149.02 61.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.77 2.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -148.18 178.98 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -133.39 -167.58 11.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -155.18 -155.66 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -157.28 -178.86 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 7.7 t -148.14 145.76 21.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.04 -169.61 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -125.46 -148.69 7.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -165.21 154.42 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 20.1 p -118.76 -172.71 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.1 104.53 50.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.534 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.04 -39.17 3.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.469 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 7.3 m-20 -111.15 154.69 23.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.67 160.33 56.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.68 19.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.63 29.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.0 -24.22 9.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.9 t80 -36.23 154.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.24 -67.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 38.1 p90 -161.43 177.78 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.3 OUTLIER -97.92 151.0 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.437 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -132.72 166.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -134.07 118.97 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.414 ' HA ' ' CG2' ' A' ' 478' ' ' THR . . . -63.97 157.36 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -124.8 -3.41 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.542 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 83.4 m-70 -144.97 170.81 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.604 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 13.7 t70 -109.37 102.29 11.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 2.0 t80 -115.81 108.55 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.6 112.88 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.607 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -112.81 114.98 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 15.3 p -121.22 93.7 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 427' ' ' GLU . 26.2 t0 -141.2 -178.19 5.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -77.51 -5.06 48.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -164.71 43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.481 ' CA ' ' OE1' ' A' ' 427' ' ' GLU . 0.0 OUTLIER -97.67 165.92 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.43 113.25 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -76.44 137.16 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.478 ' CD1' HG23 ' A' ' 436' ' ' VAL . 3.9 mm? -130.38 142.79 50.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.469 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.36 132.37 53.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.79 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.11 47.13 1.92 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.473 ' OD2' ' CD1' ' A' ' 430' ' ' LEU . 23.9 t70 -109.1 166.89 10.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.4 122.74 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' A' ' 430' ' ' LEU . 2.6 t -134.58 146.2 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.564 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -106.43 132.46 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.453 HG23 ' CE1' ' A' ' 412' ' ' PHE . 20.4 t -81.82 113.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.463 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.91 153.06 63.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.93 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 111.021 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.0 -34.54 32.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -154.26 144.55 15.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.91 18.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.15 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -92.96 -16.91 24.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -71.96 144.66 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -95.34 171.2 8.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 99.4 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.49 -3.44 34.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.59 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 1.3 m95 -124.22 146.46 48.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.01 169.67 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -87.71 112.12 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -132.23 165.75 23.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.514 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.2 p -129.89 143.82 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.281 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.41 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 2.1 mtmp? -76.98 159.77 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.14 -40.57 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.514 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 60.4 m-20 -65.07 -32.4 74.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.564 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -50.74 -48.48 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -54.2 -25.36 22.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.551 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -91.22 16.92 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 466' ' ' LEU . 0.0 OUTLIER -45.32 -21.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.462 ' N ' ' C ' ' A' ' 462' ' ' GLN . 3.5 tttt -57.98 -35.0 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.84 53.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.6 OUTLIER -71.84 -30.94 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.4 OUTLIER -54.6 -20.91 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.01 7.59 44.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 11.18 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 108.283 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 1.4 mtt180 -61.08 156.44 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -165.23 179.01 39.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -126.97 162.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.475 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 19.2 p90 -163.1 155.06 15.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 119.38 5.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.04 -35.95 79.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -63.57 -26.17 68.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -87.94 1.55 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -132.17 177.67 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 145.46 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -77.81 141.18 39.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 77.7 t -112.69 116.77 47.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.61 108.34 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.997 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.35 171.16 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -166.44 153.33 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.04 110.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -163.22 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.61 142.83 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.03 -172.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 174.08 149.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 3.9 p -166.2 132.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -142.09 165.41 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.69 179.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.3 117.54 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -163.89 110.98 0.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . 179.78 170.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -179.83 -178.77 48.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -176.24 -177.07 44.96 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.04 177.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 10.0 t -172.2 110.51 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.71 2.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -173.25 174.28 45.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -176.8 174.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 13.9 t -171.91 172.83 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.79 38.26 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 476' ' ' ASN . 14.6 p -114.25 104.67 54.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.886 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.407 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.33 -38.13 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.424 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 6.1 m-20 -114.74 155.44 26.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.99 161.22 53.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.5 20.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.25 27.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.794 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.15 -22.82 17.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.5 t80 -35.82 147.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 438' ' ' VAL . 11.2 mtt -106.28 -69.36 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 438' ' ' VAL . 36.7 p90 -160.08 176.51 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.467 ' HE3' ' CD2' ' A' ' 437' ' ' LEU . 0.2 OUTLIER -91.23 145.24 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.442 ' CG2' ' HB ' ' A' ' 436' ' ' VAL . 4.0 m -132.71 161.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 481' ' ' VAL . 2.3 tp60 -134.66 126.53 29.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.56 155.3 39.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.04 -1.92 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 90.0 m-70 -148.35 170.15 18.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 419' ' ' ASP . 9.8 p-10 -108.66 102.04 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.622 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -113.83 115.87 28.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -82.62 115.01 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -110.86 117.07 32.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 39.1 p -118.79 94.2 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.441 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.61 -175.64 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.1 t -77.62 -13.97 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.12 53.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 1.9 mm-40 -97.62 171.47 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.57 114.46 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.59 139.23 35.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.508 HD12 ' CG2' ' A' ' 436' ' ' VAL . 4.5 mm? -130.22 142.91 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.45 ' CE ' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -123.76 129.91 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.25 99.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.41 49.82 1.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.45 ' OD2' ' CE ' ' A' ' 431' ' ' LYS . 6.9 t0 -112.7 168.63 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 1.6 m -118.57 125.37 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.508 ' CG2' HD12 ' A' ' 430' ' ' LEU . 90.2 t -136.75 146.17 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.488 ' HG ' ' CG1' ' A' ' 455' ' ' VAL . 0.1 OUTLIER -110.57 127.21 55.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.55 HG21 ' CE1' ' A' ' 412' ' ' PHE . 38.3 t -74.42 120.97 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.56 153.24 80.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.22 -173.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.57 -33.04 42.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -158.45 147.45 14.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -22.57 14.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.71 -16.66 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.97 -14.49 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.41 149.35 25.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -99.04 172.56 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.64 113.93 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.43 -10.37 63.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.581 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 4.1 m95 -117.82 149.75 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.431 ' CD2' ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -140.38 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.5 OUTLIER -90.69 112.83 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -136.69 159.03 24.39 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.551 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 4.1 p -121.89 142.42 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.71 . . . . 0.0 109.303 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.452 ' CG ' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -73.5 165.97 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 2.4 tt0 -61.21 -43.28 99.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -41.59 78.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.551 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 34.0 m-20 -67.13 -31.13 71.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.452 ' CD2' HD11 ' A' ' 437' ' ' LEU . 3.7 t90 -50.41 -48.01 56.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 107.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -57.22 -25.26 58.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.468 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -87.54 17.46 4.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.456 ' HA ' ' HB3' ' A' ' 466' ' ' LEU . 4.1 t60 -43.13 -24.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.468 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.7 OUTLIER -59.79 -46.34 89.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -139.02 42.4 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -69.59 -29.58 67.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.01 -19.48 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -103.56 7.17 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 4.18 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 156.47 27.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -161.27 177.35 37.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -112.88 157.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -163.99 152.3 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.11 -30.95 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 310' ' ' VAL . 0.8 OUTLIER -67.55 -26.65 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.606 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -88.78 3.91 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.563 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.7 p -131.06 -179.98 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -135.93 158.5 44.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.3 mtm180 -84.57 139.72 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 415' ' ' GLN . 95.9 t -112.52 116.06 48.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.21 117.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.971 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -154.58 -178.66 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -158.9 -178.77 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.9 t -171.76 118.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -166.21 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.47 147.19 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.7 pp -118.42 149.34 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 136.0 23.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 13.0 p -123.69 158.43 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.56 178.97 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -163.56 -176.08 4.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.68 137.94 5.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.43 137.33 11.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -166.78 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -165.3 177.84 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -159.12 -175.54 30.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -160.83 -163.03 13.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -171.36 162.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 292' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 1.1 m -141.58 133.01 13.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -74.96 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -151.7 -167.91 15.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -161.67 118.96 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 6.3 p -87.5 -178.88 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.91 38.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 14.7 p -106.53 105.84 55.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.03 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.465 ' NE ' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.7 -16.2 25.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.465 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . 2.1 m-20 -99.13 148.65 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 159.97 28.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.99 134.57 17.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.62 29.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.32 -19.64 34.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.5 t80 -37.04 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.29 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 21.9 p90 -158.6 -179.72 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.84 143.51 30.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.43 ' CG2' ' HB ' ' A' ' 436' ' ' VAL . 2.6 m -124.23 166.85 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -134.26 121.82 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.01 154.07 38.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -124.41 -1.11 8.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.499 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.8 m-70 -148.75 169.78 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 t70 -107.81 104.38 13.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -114.22 109.87 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.99 113.82 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -106.5 117.77 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 6.1 p -116.34 92.24 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -143.56 -174.61 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -91.6 7.7 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -178.63 59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.442 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.1 OUTLIER -116.51 171.69 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.73 113.28 18.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.87 135.75 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.473 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -127.58 146.34 50.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.29 125.66 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -29.99 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.91 50.83 1.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.405 ' HB2' ' HD2' ' A' ' 431' ' ' LYS . 3.7 t0 -113.3 166.91 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.52 121.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.473 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 9.9 t -131.46 147.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.558 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -109.12 124.27 50.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.464 HG23 ' CE1' ' A' ' 412' ' ' PHE . 11.7 t -74.32 117.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.457 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -127.4 151.82 75.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.041 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.95 -173.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -83.17 -14.26 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.402 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -179.24 149.77 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . 0.402 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.1 Cg_endo -75.04 -21.65 15.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.83 -20.47 61.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.96 -11.22 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.75 149.15 24.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -96.32 168.21 10.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.72 109.81 16.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.2 -2.5 56.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.9 OUTLIER -129.89 143.04 50.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.412 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -130.09 171.22 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.412 ' HE2' ' N ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -90.45 113.68 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -135.53 165.6 24.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.529 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.0 p -125.5 143.62 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -77.87 160.44 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.22 -43.64 87.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.362 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -38.77 83.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.529 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 81.0 m-20 -63.31 -33.8 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.558 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.0 t90 -53.5 -48.47 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -53.94 -26.14 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 6.6 mm-40 -108.53 19.84 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 407' ' ' PRO . 5.4 t60 -46.24 -21.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 5.7 ttpt -57.82 -30.37 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.0 42.5 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.32 -18.5 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -115.38 5.86 14.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 22.3 m -109.94 -20.53 12.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 128.79 28.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.412 ' N ' ' HE2' ' A' ' 453' ' ' MET . . . -149.6 179.82 26.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.79 153.62 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -161.74 151.42 13.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 120.3 6.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.59 81.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.1 m-20 -61.34 -24.88 66.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.592 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -89.06 2.52 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.582 HG21 ' CD1' ' A' ' 477' ' ' PHE . 2.4 p -132.38 178.18 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -133.15 147.43 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.53 138.19 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 73.9 t -109.04 122.72 39.0 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.07 109.23 0.2 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -157.38 -173.22 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -165.42 -179.01 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 276' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 276' ' ' THR . 8.0 t -161.38 107.41 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.75 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.19 158.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -170.16 142.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.45 168.8 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.9 p -174.67 144.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -151.29 162.17 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -177.97 162.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -154.44 143.66 15.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.86 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -176.21 97.19 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.58 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.433 1.754 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . 177.4 173.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.33 -179.08 48.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 177.15 172.72 42.02 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . 178.94 132.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 p -113.8 129.78 24.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 157.86 146.71 4.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -177.05 129.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 8.7 p -105.43 -179.09 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.55 37.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 12.4 p -103.4 106.71 52.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.573 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -124.44 -42.27 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -116.28 155.88 27.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.61 160.13 48.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.402 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.97 134.6 18.07 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.29 21.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 91.68 -19.8 45.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.33 153.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.438 ' HE1' ' CG1' ' A' ' 438' ' ' VAL . 12.7 mtt -112.71 -73.98 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 13.5 p90 -160.22 179.92 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.469 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.0 OUTLIER -98.04 144.23 27.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 436' ' ' VAL . 5.8 m -125.02 167.11 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 31.2 tp60 -131.07 122.64 27.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' A' ' 430' ' ' LEU . . . -70.41 151.65 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -120.73 -4.4 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.526 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.3 m-70 -149.46 169.36 21.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.554 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 9.9 p-10 -103.73 102.56 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -108.35 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 26.9 m -74.96 112.7 11.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.09 117.15 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -119.32 93.06 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.434 ' HB3' ' OE1' ' A' ' 427' ' ' GLU . 9.5 t70 -139.58 -176.9 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.2 t -74.41 -9.77 58.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -167.89 52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 427' ' ' GLU . 0.0 OUTLIER -98.19 162.3 13.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.4 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -116.74 114.87 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.93 135.45 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.03 144.09 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -121.91 135.47 54.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.81 108.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 90.59 43.49 4.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.512 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 26.9 t0 -109.3 170.23 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -118.49 127.55 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 456' ' ' LYS . 3.0 t -136.68 139.0 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.58 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -100.91 133.74 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.438 ' CG1' ' HE1' ' A' ' 411' ' ' MET . 13.4 t -84.82 112.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.457 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -120.23 153.74 55.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.88 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.564 1.823 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.47 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -83.63 -9.4 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.68 148.37 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.31 19.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.92 -27.81 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -9.27 58.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.3 tt0 -80.35 149.3 30.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -100.34 173.94 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.95 93.4 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.17 -8.05 28.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.591 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -120.27 132.75 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.72 168.43 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.427 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.0 OUTLIER -87.13 113.63 23.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -138.55 171.84 23.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.57 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.0 p -138.15 145.77 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.737 . . . . 0.0 109.261 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.512 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 7.7 mtmt -71.54 163.76 27.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.57 -46.3 88.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -35.79 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.57 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 89.2 m-20 -67.93 -33.2 74.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.58 ' CE3' HD12 ' A' ' 437' ' ' LEU . 3.7 t90 -51.63 -47.52 63.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -54.28 -26.23 27.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.3 mm-40 -91.28 17.15 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.73 -21.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -57.87 -30.66 66.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -146.07 56.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.08 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.89 -19.43 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -107.02 9.04 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.2 5.09 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 108.26 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 151.74 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.4 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -175.69 177.75 47.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -124.42 163.81 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 23.0 p90 -161.0 155.01 18.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 116.9 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.38 -31.0 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.9 OUTLIER -67.47 -23.69 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.616 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -92.54 4.3 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.565 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -133.17 177.72 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -132.72 151.76 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -87.42 133.23 33.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.97 116.08 65.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 7.7 t -175.03 96.24 0.28 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.87 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -177.51 167.58 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -172.66 165.8 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.7 m -156.63 107.81 1.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.35 2.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . 0.451 ' O ' ' CG2' ' A' ' 279' ' ' ILE . 3.6 tt0 176.27 144.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 278' ' ' GLU . 3.6 pt -155.2 -179.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.52 161.72 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.2 p -170.48 133.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -144.96 155.9 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -154.91 -177.72 6.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.85 106.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.08 7.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -137.81 147.24 56.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -165.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -158.94 169.81 23.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -163.32 176.42 39.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -178.6 179.18 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -166.47 173.5 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 46.9 m -151.24 110.61 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.36 20.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -128.42 -159.48 10.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -171.5 75.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 296' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 297' ' ' LEU . 3.3 m -152.05 148.43 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 297' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 296' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 161.54 38.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 310' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 476' ' ' ASN . 14.8 p -117.06 104.09 51.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.886 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -120.07 -40.66 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.437 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 1.2 m-20 -106.32 153.71 21.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.42 161.05 43.8 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.406 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.4 Cg_endo -74.99 138.7 23.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 131.8 14.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 95.58 -19.71 53.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 31.9 t80 -36.84 155.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -115.96 -68.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 14.0 p90 -163.85 176.46 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 138.57 33.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.451 HG12 ' CG2' ' A' ' 438' ' ' VAL . 3.3 m -119.31 167.25 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -135.04 124.2 24.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -68.78 152.87 44.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -122.63 -2.5 8.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.9 m-70 -144.72 169.91 17.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 19.9 p-10 -110.52 104.09 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.64 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.6 t80 -115.33 123.93 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -87.65 114.58 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.64 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -111.63 117.13 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -120.2 93.26 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 37.2 t0 -142.99 178.61 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.4 t -74.59 -13.49 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 7.1 p-10 -159.56 49.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 424' ' ' ASP . 3.5 mm-40 -96.69 170.08 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.406 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 5.0 tp -127.3 113.29 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . 0.404 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 2.2 tt0 -79.77 137.59 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -128.17 143.45 51.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.504 ' CD ' ' OD1' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -126.61 126.36 43.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.82 102.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.98 47.8 2.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.504 ' OD1' ' CD ' ' A' ' 431' ' ' LYS . 3.2 t70 -108.95 169.69 8.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.22 121.07 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.468 HG22 ' CG ' ' A' ' 456' ' ' LYS . 32.9 t -136.72 139.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.569 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -100.62 133.54 44.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.451 ' CG2' HG12 ' A' ' 414' ' ' VAL . 17.9 t -82.73 119.96 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.474 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.45 152.77 78.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.75 4.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.0 -176.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -17.32 42.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -174.02 148.0 1.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.07 -20.9 16.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.27 -18.41 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.17 -15.71 27.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.34 141.6 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -89.6 171.41 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.73 113.16 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.92 -7.91 63.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.7 m95 -118.48 149.47 41.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.472 ' CD2' ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -135.12 167.55 20.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.33 112.71 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.474 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -134.97 173.08 21.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.494 ' CG2' ' HB3' ' A' ' 459' ' ' ASP . 5.7 p -137.43 144.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.468 ' CG ' HG22 ' A' ' 436' ' ' VAL . 5.2 mtmp? -75.11 160.88 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 460' ' ' TRP . 15.2 tt0 -58.52 -41.64 85.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.236 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -47.7 83.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 37.3 m-20 -58.86 -32.91 69.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.569 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.4 t90 -52.58 -41.78 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ASN . . . . . 0.485 ' ND2' ' N ' ' A' ' 461' ' ' ASN . 1.2 m120 -53.47 -25.82 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -92.93 18.78 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 7.6 t60 -45.35 -21.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.9 OUTLIER -58.35 -30.12 66.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -158.79 51.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 1.6 pt? -70.51 -29.88 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 4.8 tt0 -54.82 -17.9 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -102.4 6.62 40.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.6 p -129.68 8.25 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.48 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.7 OUTLIER -56.06 154.32 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -155.99 179.47 31.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.406 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.4 t -126.25 154.48 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -161.24 151.99 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 119.45 5.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 0.8 OUTLIER -69.37 -32.93 72.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.477 ' HB2' ' CG1' ' A' ' 310' ' ' VAL . 0.4 OUTLIER -66.21 -24.86 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.594 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -89.9 2.66 54.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.556 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.6 p -129.84 -179.69 5.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -82.52 136.54 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.9 135.54 19.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -171.81 96.0 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 89.5 p -161.85 115.3 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -152.45 173.4 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -164.97 162.78 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 22.4 p -137.22 109.73 8.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.22 20.9 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -148.93 175.81 10.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 12.7 tt -167.03 164.51 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -158.33 166.75 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 54.5 t -151.69 144.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -149.05 154.29 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -168.13 166.27 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.588 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -154.94 121.23 2.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.67 15.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.82 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.36 114.84 6.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -156.2 -172.18 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -165.55 -179.85 39.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.74 -167.18 21.82 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -137.93 150.83 47.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 63.6 p -129.58 89.1 47.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -118.6 -141.61 6.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -160.91 162.75 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 70.2 p -129.68 165.95 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.7 70.9 8.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.22 36.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.772 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -119.06 167.25 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.53 120.91 36.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.2 42.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 107.97 7.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.88 137.68 36.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.76 48.24 2.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -71.3 150.05 45.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.15 167.58 21.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -141.72 176.48 21.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 152.47 40.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 159.78 41.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 7.1 p -110.73 105.4 57.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.65 10.08 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.55 26.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 163.31 35.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.72 147.07 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -125.89 -70.69 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 317' ' ' THR . 2.4 t -166.76 112.62 0.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.01 32.25 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 54.2 p -157.54 175.38 14.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.36 175.88 5.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.7 124.95 12.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 322' ' ' VAL . 0.8 OUTLIER -135.09 117.2 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.6 148.31 42.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -146.84 177.69 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.91 176.19 12.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -173.51 149.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.49 152.08 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.67 174.24 10.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 77.8 p -130.68 -176.37 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.76 176.32 10.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -177.44 175.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.46 175.95 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 174.38 165.95 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 335' ' ' PHE . 9.2 t -172.47 145.21 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 334' ' ' THR . 2.1 m-85 -177.56 -173.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 96.0 t 56.45 99.69 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.45 16.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.545 1.813 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.83 97.99 5.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.345 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 340' ' ' SER . 1.3 mp -120.62 158.93 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 339' ' ' ILE . 0.4 OUTLIER 175.97 124.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.67 160.68 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 19.5 m -146.31 140.55 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 25.6 p -140.72 93.74 8.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.42 31.39 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 38.9 t -171.48 153.95 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.68 114.12 0.24 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -167.96 174.35 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.28 173.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -176.63 176.09 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 21.6 t -178.6 169.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.95 173.34 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 62.8 t -137.45 -64.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 65.42 165.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -152.33 61.88 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.1 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 45.03 -169.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 3.4 m 39.97 63.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.419 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -178.4 92.75 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.74 41.97 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -111.85 160.15 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -156.41 -61.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -46.97 162.76 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -152.15 172.72 15.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -77.39 166.7 22.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 143.49 38.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -172.95 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -150.69 -79.61 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 61.12 141.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 0.795 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 66.4 p -134.3 -174.4 3.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -144.97 -176.56 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -165.77 -179.88 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 52.3 m -167.23 169.82 12.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -154.65 179.7 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -173.67 176.5 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -179.47 170.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 21.7 p 174.78 165.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.961 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.15 177.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.78 -178.5 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 3.1 tt -170.92 90.96 0.46 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.41 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -160.27 168.19 25.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 2.3 p -160.68 132.42 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 4.6 m -105.11 156.48 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -162.04 123.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.53 173.06 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 12.9 t -163.41 122.51 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -117.7 125.78 27.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -165.81 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . 177.18 134.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 31.4 p -142.63 167.31 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 4.3 p -170.71 136.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.25 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -158.05 154.87 28.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 117.66 75.15 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.5 p -112.93 -52.15 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.2 t -45.06 134.79 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -178.18 83.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 148.24 -118.14 0.95 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 89.21 -70.41 2.47 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 1.2 m 56.3 87.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.957 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -174.09 -164.96 29.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.151 . . . . 0.0 110.961 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -172.03 131.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -92.11 -175.07 42.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -70.82 -176.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 0.0 110.286 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.3 pt? -119.43 -41.29 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.402 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 52.6 m-20 -112.29 154.87 25.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 160.46 56.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 134.65 18.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.47 29.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.43 -24.52 11.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.0 t80 -36.54 147.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.428 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.2 mtt -110.05 -67.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.503 ' CE1' HG22 ' A' ' 438' ' ' VAL . 21.7 p90 -160.65 174.81 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.03 143.91 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.17 168.18 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -134.58 125.74 27.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -68.35 156.37 37.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -124.58 -1.62 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.467 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -148.61 169.7 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -107.62 102.46 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.57 108.59 16.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -75.38 113.42 12.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.16 115.76 29.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -121.26 94.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 11.8 t0 -140.74 -176.4 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.5 t -78.17 -1.92 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.19 42.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 424' ' ' ASP . 0.4 OUTLIER -92.36 165.05 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.422 ' CD2' ' O ' ' A' ' 454' ' ' GLY . 8.5 tp -124.39 113.54 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.54 133.57 38.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 436' ' ' VAL . 3.9 mm? -125.67 144.78 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.77 131.36 51.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.26 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.19 48.38 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.401 ' OD2' ' CD1' ' A' ' 430' ' ' LEU . 22.7 t0 -110.35 169.07 8.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.41 126.54 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 430' ' ' LEU . 48.6 t -137.32 142.49 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.611 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -102.77 129.41 49.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.503 HG22 ' CE1' ' A' ' 412' ' ' PHE . 4.9 t -80.5 113.32 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.45 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -123.42 152.67 64.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.95 4.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.0 -176.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -79.25 -22.24 45.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -168.13 148.12 4.31 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.06 14.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -20.39 61.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.229 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.63 -9.58 53.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -86.48 148.81 25.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -94.81 174.47 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 108.3 18.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.01 -2.88 58.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.9 m95 -123.38 147.85 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.51 169.05 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.446 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.88 113.26 25.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.45 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -131.47 176.51 19.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.524 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 14.7 p -137.91 137.8 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.85 158.6 35.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.06 -40.65 81.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -38.75 89.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.524 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 61.8 m-20 -63.91 -32.45 73.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.611 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.9 t90 -51.01 -47.42 61.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.07 -26.89 51.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.441 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -94.9 17.18 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -45.21 -23.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -56.91 -30.23 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.33 42.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -37.57 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.53 -17.49 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -109.42 7.41 24.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.09 1.08 9.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -58.91 150.36 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.32 179.06 36.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 153.16 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -158.91 151.05 17.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.03 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -33.98 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.31 -28.64 69.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -89.19 3.76 50.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.418 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -130.52 174.83 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.62 144.98 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -80.68 137.71 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 38.3 t -110.32 116.85 52.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 171.63 108.77 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.25 136.97 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.07 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -144.95 -177.97 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -153.73 -177.36 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 9.4 t -148.49 145.79 21.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.428 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.89 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -144.86 122.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -104.4 178.23 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.65 137.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -142.82 170.34 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.49 -177.23 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.64 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -165.66 122.16 1.02 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -166.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -153.45 125.16 3.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -167.55 177.03 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -175.68 -179.2 46.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.23 -168.66 23.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -165.75 174.61 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.353 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 292' ' ' THR . 1.4 t -162.63 111.33 1.08 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.86 8.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -101.82 -179.97 27.78 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 179.91 174.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 15.9 m 62.57 158.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.3 69.2 0.41 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -68.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -165.29 139.88 4.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 26.5 t -120.73 129.22 25.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.86 42.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.99 69.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -98.71 149.28 22.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . 0.408 ' O ' ' CG ' ' A' ' 424' ' ' ASP . 1.7 tp -170.54 89.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.53 150.56 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.45 151.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 179.09 155.18 14.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.95 23.72 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.36 43.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 7.6 p -109.26 104.96 56.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.0 18.55 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.77 39.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.19 20.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -45.02 128.96 7.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -101.26 169.47 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 8.1 m 61.21 114.27 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 85.08 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.16 -175.19 2.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -172.16 156.45 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -161.37 114.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 35.3 m -55.35 162.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -152.39 68.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -170.12 158.97 7.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -142.71 130.04 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -167.85 89.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.7 tp -153.02 140.05 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.8 tt -164.36 120.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.1 150.14 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.5 tp -132.45 129.26 39.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.13 174.07 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -145.7 168.9 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.75 161.89 29.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 50.3 p -138.33 177.73 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 335' ' ' PHE . 10.1 p90 -154.4 149.28 26.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 40.4 t -127.96 125.24 23.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.61 20.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.522 1.801 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.2 -167.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.34 -48.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.88 106.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 9.1 m -126.42 -177.63 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 34.3 p 40.61 80.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 87.8 m -104.23 106.66 54.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.463 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.62 14.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.53 -166.32 1.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -110.31 133.81 20.97 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 149.17 36.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -152.92 -173.65 4.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.53 167.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . 65.11 91.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.17 167.06 20.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -117.33 98.39 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 72.5 t 63.77 147.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -161.23 72.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 129.12 166.07 11.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 162.97 163.99 16.93 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 38.3 p -138.89 -61.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.73 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -47.36 104.89 0.44 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 175.74 10.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.58 163.77 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -98.41 -51.74 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -142.38 -146.62 4.67 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -172.39 112.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.38 137.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.267 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 366' ' ' PRO . 1.1 mt-10 170.58 -56.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.07 -54.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 51.76 59.12 8.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 60.94 107.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 3.2 t -147.79 53.37 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.424 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -140.68 160.54 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -161.72 -64.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 6.6 t 65.67 138.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -156.43 170.49 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -169.61 168.26 9.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -152.31 167.76 27.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 43.1 p -142.24 162.51 35.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.041 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 21.2 p -178.85 164.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.994 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.86 159.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.6 pp -171.44 95.22 0.42 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -133.27 139.86 47.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.45 179.55 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 9.8 p -158.99 151.68 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.75 -32.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 41.06 74.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.3 t -76.25 148.58 37.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -131.67 162.67 54.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.04 34.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -124.6 147.3 48.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 11.7 t -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 8.3 p -117.74 142.65 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -138.16 160.73 38.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 98.59 120.1 4.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.0 t -109.25 143.94 38.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 64.88 159.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.03 131.02 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 157.84 101.45 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -140.34 155.41 24.61 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 16.2 m -97.37 -60.23 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.005 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 121.69 92.54 1.19 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -141.16 102.18 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -150.76 175.93 29.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.543 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -74.1 -178.69 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.15 -39.42 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -109.66 153.68 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.57 160.91 49.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.13 18.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 143.82 29.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.55 -24.43 12.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.0 t80 -36.5 148.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 6.6 mtt -110.5 -65.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.2 p90 -163.2 178.39 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.79 145.36 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.435 ' CG1' HG22 ' A' ' 438' ' ' VAL . 2.5 m -125.14 167.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -134.1 118.79 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -62.83 152.44 36.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.42 -2.64 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.521 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -149.09 169.78 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 419' ' ' ASP . 0.1 OUTLIER -107.65 102.59 11.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.614 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.68 111.72 22.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.05 113.63 14.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.614 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -111.4 117.38 32.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 47.1 p -119.57 94.4 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 304' ' ' LEU . 24.4 t0 -141.66 -178.81 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.8 t -84.8 9.01 15.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.81 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.34 170.99 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.471 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -127.23 113.83 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.68 138.55 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.3 mm? -129.84 145.49 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.46 135.16 52.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.25 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.39 48.23 1.72 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 430' ' ' LEU . 28.7 t70 -110.15 168.84 9.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.448 HG22 ' CB ' ' A' ' 457' ' ' GLU . 3.4 m -118.45 124.48 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 430' ' ' LEU . 10.9 t -135.85 144.26 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.54 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -104.03 131.92 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.529 HG22 ' CE1' ' A' ' 412' ' ' PHE . 38.0 t -83.67 113.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.462 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.05 152.67 60.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.52 4.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -59.08 -174.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -81.22 -28.21 34.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.38 148.57 9.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.99 15.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -16.7 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.92 -20.33 22.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -76.99 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 449' ' ' GLU . 5.6 t0 -99.35 170.09 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 1.3 mt-10 -79.79 108.83 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.59 1.84 58.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 4.2 m95 -126.73 153.48 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.438 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -141.85 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.446 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.65 113.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -132.64 174.69 20.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.564 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 8.6 p -136.93 141.99 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.68 159.97 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.448 ' CB ' HG22 ' A' ' 435' ' ' VAL . 8.2 tt0 -57.98 -41.36 82.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -39.59 88.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.564 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 70.3 m-20 -63.65 -33.35 75.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.543 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.2 t90 -51.3 -47.54 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -57.83 -27.08 62.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.466 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -91.99 17.54 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -45.27 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.3 OUTLIER -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 47.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -35.89 82.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -55.22 -18.12 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -108.93 8.37 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 1.76 9.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -61.46 151.51 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.471 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -162.03 -179.5 36.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.81 155.07 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -160.24 152.06 16.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 120.09 5.92 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.17 -36.44 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.1 m-20 -61.56 -31.23 71.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -85.47 1.68 47.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -128.79 171.17 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -130.62 148.64 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.8 mtt180 -79.51 139.26 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 87.4 t -110.92 116.04 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 172.45 96.03 0.1 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 19.0 t -173.23 136.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.784 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.3 41.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -115.26 -179.32 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -160.76 155.16 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.2 74.19 1.02 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.04 42.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.41 145.84 49.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.7 mm -117.34 160.67 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -134.02 141.49 47.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.293 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.98 126.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.25 157.09 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.55 175.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -156.52 148.49 17.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -173.08 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -168.25 112.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.34 14.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.78 124.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.99 -176.91 48.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 117.6 150.38 9.09 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.23 169.27 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 292' ' ' THR . 14.0 t -170.76 64.58 0.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.0 116.77 4.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 124.43 115.69 2.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -145.35 47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.6 p -116.03 103.14 10.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 110.407 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.87 98.7 6.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.27 21.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.48 63.24 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 47.6 m -120.7 94.86 48.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.69 41.34 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 78.6 p -156.3 60.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.65 132.23 44.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 67.98 81.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -102.12 150.7 22.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 145.54 31.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -133.7 -171.98 12.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.95 33.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 160.88 39.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 8.2 p -107.46 104.53 52.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.33 42.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.24 42.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.783 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.63 26.93 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 72.4 4.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.57 79.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -112.31 123.07 49.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 5.0 m -47.0 110.5 1.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 61.07 5.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 74.3 m 63.99 158.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.96 143.14 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -74.59 146.97 42.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 17.9 m 43.28 -161.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -166.95 -63.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.75 166.75 11.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -143.04 89.23 2.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 40.59 87.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.2 tp -67.56 141.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 329' ' ' SER . 2.6 pp -159.04 167.75 28.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' SER . . . . . 0.413 ' N ' HD12 ' A' ' 328' ' ' LEU . 4.6 t -163.64 144.15 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 2.2 pp -163.86 154.7 15.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -167.06 168.59 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.23 145.63 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.28 166.6 31.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 5.7 m 62.95 124.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.432 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.569 ' CD2' HG13 ' A' ' 336' ' ' VAL . 0.1 OUTLIER -177.87 -179.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 335' ' ' PHE . 6.0 p 32.21 82.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.76 169.24 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 3.7 pt -116.35 170.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.34 162.86 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.52 170.69 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 12.2 t -138.24 153.75 49.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.36 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 1.6 m -136.59 88.54 19.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.9 30.66 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.485 1.781 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.55 127.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -169.56 140.94 1.88 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 167.26 27.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -177.07 112.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -148.06 155.61 41.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -128.04 101.74 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 81.1 p 179.07 130.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.48 -59.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 4.6 p -43.43 -42.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -66.83 -59.17 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 135.48 141.16 4.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -144.3 -161.29 8.89 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 13.6 t -135.71 149.13 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 65.52 152.07 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -168.36 83.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . 56.91 175.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -170.61 85.8 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -164.88 140.6 5.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.773 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -179.18 131.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -166.92 109.07 0.65 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.66 8.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -160.08 -87.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.59 133.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 9.8 t -165.57 139.61 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -176.23 169.71 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -176.34 169.77 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.3 125.9 22.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -159.35 170.14 22.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . 61.0 174.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . 65.29 70.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 28.5 t -174.99 118.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 18.6 p -159.5 -63.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 10.6 m 66.61 139.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.58 91.07 0.4 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.29 39.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -108.68 143.19 38.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.89 171.55 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 83.8 t 63.04 117.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.77 -31.14 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.84 110.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 9.7 t -130.99 151.86 50.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -127.32 145.59 54.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -174.37 127.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 18.7 m -156.44 143.4 18.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' A' ' 391' ' ' VAL . 2.6 p -166.6 53.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -131.22 125.57 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -173.56 -156.45 13.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.7 t -143.93 140.7 29.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.441 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 10.7 p -48.03 143.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -151.81 111.01 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 146.0 77.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.127 . . . . 0.0 110.989 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -119.29 -78.01 0.56 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 4.3 m 62.45 131.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.967 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 86.03 169.29 45.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 75.32 -74.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -69.79 173.78 37.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -74.6 -173.33 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -41.67 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.77 155.55 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.22 160.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.413 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -75.01 134.38 17.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 142.88 28.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.23 -22.61 18.51 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.2 t80 -36.48 152.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.402 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 9.9 mtt -113.59 -67.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 18.9 p90 -160.87 -179.78 7.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.463 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.3 OUTLIER -100.04 146.12 27.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.463 ' O ' ' CE ' ' A' ' 413' ' ' LYS . 6.3 m -125.87 166.21 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -134.24 118.72 17.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -63.72 151.05 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.16 -3.35 9.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.2 m-70 -147.75 169.7 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.635 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -107.64 103.36 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.6 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -116.2 109.71 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.2 m -76.78 114.06 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.426 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.6 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.76 115.43 28.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' A' ' 423' ' ' THR . 0.5 OUTLIER -120.6 93.82 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 11.3 t0 -140.6 -175.51 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.1 t -79.19 -4.88 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -166.76 42.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.474 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 0.0 OUTLIER -91.85 164.94 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 10.5 tp -124.78 112.86 17.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . 0.43 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 2.3 tt0 -77.56 137.57 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.445 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.6 mm? -130.65 143.75 50.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -125.56 129.69 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.87 104.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.73 47.02 2.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -110.25 169.86 8.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.473 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.3 m -119.47 125.48 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 430' ' ' LEU . 12.7 t -136.83 145.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.7 129.42 55.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 412' ' ' PHE . 22.6 t -79.27 119.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.46 HD12 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.17 153.27 76.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.09 -177.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.77 -31.2 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.69 146.37 16.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.38 16.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.76 -25.51 63.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -14.97 45.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.0 tt0 -77.97 146.2 35.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -98.97 169.26 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.83 106.73 14.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.4 58.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -121.0 137.42 54.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.96 170.58 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.9 113.03 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.46 ' CA ' HD12 ' A' ' 439' ' ' ILE . . . -129.55 175.39 19.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.48 HG21 ' CB ' ' A' ' 459' ' ' ASP . 7.5 p -136.83 139.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 0.724 . . . . 0.0 109.294 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -76.91 159.85 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.473 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -57.85 -37.31 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -42.83 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.48 ' CB ' HG21 ' A' ' 455' ' ' VAL . 1.2 m-20 -62.69 -32.26 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.267 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -51.06 -47.49 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 107.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -53.79 -26.35 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -89.03 16.1 7.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 13.5 t60 -45.37 -22.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 462' ' ' GLN . 30.0 pttt -58.7 -39.13 79.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -148.46 51.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -30.31 67.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.482 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 23.6 mt-10 -55.54 -17.62 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.72 7.8 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.69 10.74 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.4 mtm180 -60.63 154.28 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -161.6 -179.03 36.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -129.37 160.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.452 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.3 p90 -162.1 156.34 18.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 1.8 tt0 -68.07 -33.11 73.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.61 -32.24 73.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -82.38 1.81 35.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -131.12 175.55 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -129.56 154.48 47.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.522 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 11.4 mtt180 -89.67 140.74 29.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 45.3 t -112.39 116.03 49.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 111.034 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -179.02 116.72 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.118 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.75 116.29 0.52 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.968 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.44 2.88 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -128.26 -174.69 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -149.96 -178.06 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.5 t -155.07 133.16 6.81 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.052 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -144.66 150.18 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.8 mp -126.79 135.54 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -123.36 167.87 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.9 p -161.2 127.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -118.07 169.6 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.17 173.81 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -161.97 107.11 1.15 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -120.84 155.96 56.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -130.16 172.86 11.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -118.89 -160.41 11.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -153.68 -147.47 4.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -164.23 -176.08 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 8.8 t -143.99 144.94 28.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.4 Cg_endo -75.04 -169.04 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.9 -160.31 10.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -166.55 155.16 10.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.0 m -127.98 133.11 49.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 115.67 44.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.06 3.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 168.28 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.83 138.85 21.68 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.093 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.55 35.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 40.5 t -131.64 84.14 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.021 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.62 141.14 57.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 66.9 100.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.36 140.26 37.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.05 124.04 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -118.26 159.87 14.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.86 40.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.97 39.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 11.3 p -115.04 103.81 54.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 153.71 41.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.26 28.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.45 1.763 . . . . 0.0 110.972 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 120.34 6.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 135.52 19.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.1 160.34 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -137.28 153.56 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 3.0 m 57.65 90.79 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.05 39.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 320' ' ' LYS . 83.3 p -169.52 171.72 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 319' ' ' SER . 0.0 OUTLIER 29.73 66.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -105.24 8.98 34.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 55.7 t -136.05 110.64 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.28 123.81 23.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -124.5 77.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.89 130.49 55.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.53 131.33 31.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 2.5 tt -97.71 162.98 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.02 155.8 49.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 3.6 t -170.19 145.27 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.44 175.13 8.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -158.27 164.67 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -165.69 169.65 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -147.49 170.04 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 8.8 t -169.16 143.86 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.12 156.21 37.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 14.5 p -122.88 114.44 29.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.87 3.76 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.0 173.49 10.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.3 tt -169.03 145.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.7 t -141.63 169.84 16.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 11.8 p -174.09 137.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 69.3 p -101.69 178.21 4.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 5.2 t -160.88 146.24 10.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.78 8.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 35.6 p -174.54 151.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.057 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 61.93 100.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 178.37 7.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -133.31 177.89 7.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 68.58 163.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -160.0 -64.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.05 85.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -175.61 115.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 51.9 t -146.08 -65.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -85.61 149.36 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -169.17 -173.23 36.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . 0.431 ' O ' ' CG2' ' A' ' 357' ' ' THR . . . 112.83 -86.15 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 356' ' ' GLY . 15.3 t 47.12 -162.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -130.33 99.43 19.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.86 8.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -174.6 60.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -177.42 170.83 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 159.13 157.98 8.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -148.78 -65.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.46 162.6 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.07 156.53 64.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -64.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 150.58 -165.99 30.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -139.12 171.2 14.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 25.1 m -125.56 136.52 53.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -99.3 -179.66 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -135.73 -174.78 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 5.4 t -137.86 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.5 179.52 7.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -133.01 177.94 7.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -163.07 -176.72 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 1.5 t -153.17 174.13 14.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -179.49 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.052 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.46 177.27 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.97 106.7 10.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -61.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . 67.92 146.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 93.8 t -147.55 133.31 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.59 106.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.2 t -103.0 142.29 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -128.69 164.73 22.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 75.1 p -139.92 -174.63 3.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -153.68 94.67 2.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -175.18 2.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . 65.72 143.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.4 t -179.66 50.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.06 168.71 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 23.5 p30 177.39 164.22 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -132.35 143.95 15.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.0 t -170.88 159.32 6.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.7 t 62.36 115.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -178.94 114.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -137.52 -148.27 5.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 157.81 108.71 0.27 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 41.3 t -109.96 146.01 35.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -111.73 -112.39 3.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -93.5 -64.43 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 72.93 -168.35 53.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -72.3 -178.38 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.21 -38.72 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -115.97 154.75 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 160.38 59.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.39 17.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.565 1.824 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.5 30.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.49 -22.6 12.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.8 t80 -36.82 151.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -112.45 -69.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 21.6 p90 -160.56 175.87 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 145.8 25.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.423 HG12 ' CG2' ' A' ' 438' ' ' VAL . 2.3 m -128.62 163.75 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -132.23 120.12 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.41 156.27 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.56 0.02 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 84.1 m-70 -146.2 169.79 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.611 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -110.17 101.96 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.611 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.2 t80 -114.74 112.22 22.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.36 112.78 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.611 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -107.46 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 43.3 p -119.39 93.94 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -141.99 -178.01 5.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.6 t -79.83 -3.49 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.4 OUTLIER -170.53 46.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.86 171.17 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 7.8 tp -125.42 117.4 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.09 138.34 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.439 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.5 mm? -130.49 145.66 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -127.83 129.14 46.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.46 98.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.66 46.56 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.416 ' OD2' ' CD1' ' A' ' 430' ' ' LEU . 33.3 t70 -110.77 163.67 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.791 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.1 m -113.52 126.53 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.439 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 54.3 t -137.33 145.17 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.65 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -107.42 126.35 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 412' ' ' PHE . 42.2 t -76.72 118.67 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.477 HD12 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.63 152.59 74.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.67 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.58 -172.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.5 -26.62 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -166.95 147.66 5.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.06 19.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.04 -13.41 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -97.18 -22.27 16.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -75.02 145.13 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -95.06 168.63 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 111.61 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.28 -11.87 63.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.9 m95 -116.06 149.35 39.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.504 HD12 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -139.14 172.14 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.74 113.13 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.477 ' CA ' HD12 ' A' ' 439' ' ' ILE . . . -130.0 175.61 19.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 459' ' ' ASP . 9.1 p -137.94 136.48 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.409 ' CG ' HG23 ' A' ' 436' ' ' VAL . 1.4 mtmp? -73.05 160.14 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.17 -37.88 75.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -45.07 88.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 8.2 m-20 -60.18 -31.69 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.65 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.3 t90 -50.93 -47.96 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.042 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -55.74 -25.81 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' A' ' 464' ' ' LYS . 63.2 mm-40 -92.11 17.18 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 6.8 t60 -45.73 -22.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 462' ' ' GLN . 6.7 tttm -58.21 -34.69 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.76 53.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -52.81 -34.52 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -96.54 9.53 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.11 5.07 8.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.46 154.99 26.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.01 -179.69 34.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.61 155.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.504 ' CE1' HD12 ' A' ' 452' ' ' LEU . 15.1 p90 -163.82 153.18 12.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 119.95 5.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -42.19 84.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.0 OUTLIER -57.17 -28.91 63.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -83.91 2.44 38.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.15 175.62 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.02 144.01 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.7 mtt180 -80.64 135.48 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 57.9 t -106.5 115.53 60.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 67.82 70.18 1.2 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 59.5 p -177.3 111.86 0.23 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.553 0.796 . . . . 0.0 110.008 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.67 2.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -158.07 175.16 14.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -171.06 177.16 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.62 109.63 0.96 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.41 154.63 23.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.6 tt -166.56 156.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -168.36 136.77 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.49 137.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -153.51 140.49 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -171.93 153.42 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.568 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.11 109.51 0.41 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.84 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -177.73 91.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . 178.12 161.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 157.05 168.71 20.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 158.91 147.12 4.75 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -178.08 143.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.9 m -159.79 122.92 1.95 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -174.45 -126.23 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 71.55 152.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 13.4 t -168.66 157.47 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -162.06 93.2 1.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -179.78 5.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.777 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.19 126.58 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.92 138.13 27.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.1 43.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.001 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 20.9 t -135.44 158.75 43.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . 0.463 ' HA ' ' CG2' ' A' ' 425' ' ' THR . 1.3 pt20 -77.99 131.64 37.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . 0.411 ' O ' ' OD2' ' A' ' 424' ' ' ASP . 2.8 mt -140.38 51.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 306' ' ' LYS . 0.0 OUTLIER -87.35 121.55 29.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 305' ' ' ARG . 1.7 mmmt 166.28 162.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 151.17 162.0 10.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.75 35.92 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 161.08 39.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.02 105.79 54.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.15 36.26 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.73 37.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.09 21.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.9 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -164.43 75.21 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 5.4 t60 53.82 76.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 18.6 m -81.46 114.01 46.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.27 20.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.13 119.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.4 111.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -106.37 150.49 25.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.92 162.3 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.98 172.68 7.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -152.91 159.32 42.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.27 155.31 13.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.86 162.22 41.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 3.3 tt -172.88 163.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.73 161.72 42.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.93 140.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.03 146.05 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.42 171.55 14.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.52 171.58 16.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.57 164.97 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 15.2 t -166.73 157.1 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -167.85 155.78 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 6.0 p -164.26 122.03 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.67 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.52 130.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.3 pp -152.08 152.59 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 15.1 t -171.33 157.95 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . 0.415 ' C ' ' CG2' ' A' ' 342' ' ' THR . 5.6 p -167.47 146.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' THR . . . . . 0.415 ' CG2' ' C ' ' A' ' 341' ' ' VAL . 11.9 p -148.58 165.4 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 343' ' ' THR . 13.0 t -169.25 104.38 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -176.93 3.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.39 168.84 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -175.16 96.67 0.27 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.86 38.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.011 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -174.21 123.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.07 160.42 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . 70.42 120.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 73.7 p -168.96 126.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.052 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.19 178.52 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.347 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 354' ' ' ALA . 4.1 m -121.64 -47.24 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 353' ' ' VAL . . . 59.24 178.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 165.1 177.26 37.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -175.07 -169.72 37.25 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 1.9 t -139.43 126.19 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 110.358 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.1 152.42 1.0 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.25 6.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -126.86 156.28 41.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -129.02 -53.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 161.81 -123.1 1.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 66.52 175.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -102.75 -160.72 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 366' ' ' PRO . 1.8 mt-10 169.43 -55.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -74.97 151.3 39.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 160.75 -164.38 34.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.66 143.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 8.8 t -158.04 159.42 36.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -129.27 176.16 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -154.51 174.09 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 50.9 p -152.31 152.82 32.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.57 172.57 12.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -154.23 156.04 36.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -146.17 171.12 15.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 46.1 t -174.28 149.84 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.6 166.01 34.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.944 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.86 171.42 18.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.032 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 92.14 8.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.44 6.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -153.64 177.89 10.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 13.9 p -160.18 124.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.05 149.69 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.8 p -153.56 148.65 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.21 -166.52 2.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 17.2 m -138.91 119.34 13.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -128.24 145.65 56.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 160.21 40.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -84.29 153.8 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.5 m -130.66 136.52 48.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.99 141.22 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -101.6 157.47 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -74.46 169.32 54.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.4 m -146.11 147.43 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.422 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 3.2 p -103.82 135.32 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -111.97 -59.44 1.99 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.01 -123.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 111.051 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -140.72 162.92 26.62 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 4.1 m -97.28 154.2 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.753 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 117.04 -148.84 18.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 64.29 122.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 117.29 176.91 17.6 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -71.86 -178.9 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 0.7 OUTLIER -118.21 -38.57 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 14.4 m-20 -115.51 154.72 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.58 159.59 55.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.57 -22.16 18.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.2 t80 -36.47 150.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.5 mtt -112.6 -69.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.534 ' CE1' HG22 ' A' ' 438' ' ' VAL . 24.7 p90 -158.76 -179.61 8.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.83 145.35 28.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.405 HG11 ' CG2' ' A' ' 438' ' ' VAL . 2.9 m -125.05 167.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -133.79 124.51 26.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.92 154.16 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -122.87 -3.48 8.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.0 m-70 -149.62 170.08 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.01 101.94 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.627 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.4 111.67 22.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -79.53 114.48 18.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.627 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.34 117.52 33.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.1 p -119.09 94.53 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 0.7 OUTLIER -140.7 -175.17 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 303' ' ' GLN . 7.9 t -74.46 -16.6 60.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -164.38 53.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 2.3 mm-40 -94.34 171.35 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.415 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 4.6 tp -122.71 114.91 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -85.15 131.29 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.427 HD11 ' CG2' ' A' ' 436' ' ' VAL . 2.7 mm? -121.95 146.69 46.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 127.59 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.95 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 92.85 50.21 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.549 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 4.2 t70 -110.64 168.49 9.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 5.4 m -120.1 117.41 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 430' ' ' LEU . 2.8 t -128.77 149.13 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.664 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -109.07 133.2 53.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.534 HG22 ' CE1' ' A' ' 412' ' ' PHE . 37.5 t -83.39 118.64 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.458 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.48 153.86 75.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 2.0 pm0 -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -169.69 145.11 2.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.51 17.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -67.67 -28.51 67.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 3.0 mt-10 -91.05 -15.86 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.6 tt0 -74.14 133.74 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.482 ' CG ' ' HB2' ' A' ' 451' ' ' TRP . 2.9 p-10 -80.73 175.78 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 120.48 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.26 -15.42 57.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.2 OUTLIER -123.45 159.71 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.88 170.95 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.1 112.76 23.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -134.03 175.82 20.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.514 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 13.1 p -137.89 145.14 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.257 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.549 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 2.4 mtmp? -80.66 160.05 25.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.416 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 3.5 tt0 -56.88 -41.79 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -40.2 95.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.016 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.514 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 65.1 m-20 -63.14 -32.83 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.664 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.7 t90 -51.72 -47.68 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.79 -26.98 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -94.26 16.45 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.11 -23.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -58.4 -31.65 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -130.52 43.0 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 2.9 pp -55.05 -31.2 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -24.02 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -112.03 7.7 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 -10.4 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 8.0 mtm180 -60.22 149.07 34.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -162.22 -179.33 36.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.415 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -124.66 152.96 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.411 ' N ' HG11 ' A' ' 472' ' ' VAL . 24.3 p90 -157.76 149.23 16.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 119.57 5.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.418 ' HA ' ' OG1' ' A' ' 478' ' ' THR . 0.8 OUTLIER -68.39 -31.83 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -30.35 70.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -88.48 3.75 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.503 HG21 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -130.79 176.43 8.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 146.83 51.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.3 140.62 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.55 115.75 48.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -125.49 -142.29 5.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.82 101.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.99 151.15 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -177.07 151.74 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 10.0 t -174.88 108.89 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.97 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -169.88 153.25 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 5.6 tt -174.15 158.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -178.74 100.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 282' ' ' ASN . 3.3 t -103.14 158.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . 0.405 ' N ' ' CG1' ' A' ' 281' ' ' VAL . 15.6 p-10 -168.07 148.88 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -171.28 149.05 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -176.1 115.96 0.28 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.61 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.15 116.8 1.1 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -178.72 4.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.82 159.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 121.36 146.05 7.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 167.19 105.48 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -172.33 124.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.39 153.14 81.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 177.94 7.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 179.6 87.25 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -130.54 161.0 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.7 t -149.55 53.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.12 114.85 60.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 7.4 mttm 56.34 69.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 36.7 p -89.19 135.72 31.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.04 13.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 8.6 t -71.66 101.49 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . 0.405 ' HA ' ' CG2' ' A' ' 425' ' ' THR . 9.6 pt20 -89.92 149.18 22.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 4.4 mt 66.38 101.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -100.37 123.76 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . 0.408 ' HE2' ' N ' ' A' ' 307' ' ' GLY . 0.0 OUTLIER -109.2 143.72 38.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . 0.408 ' N ' ' HE2' ' A' ' 306' ' ' LYS . . . -153.2 168.73 32.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.71 34.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.87 38.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 11.5 p -109.26 105.32 57.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.37 42.81 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 141.72 26.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.38 40.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 66.48 6.04 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -148.76 154.08 39.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -101.07 146.27 27.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 318' ' ' PRO . 1.5 m -130.43 139.97 37.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 317' ' ' THR . 18.1 Cg_endo -75.02 137.55 21.83 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 1.6 m -173.26 85.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.11 156.57 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.84 126.28 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 16.7 m -89.35 155.02 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 152.72 25.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -150.96 150.09 30.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -161.56 146.05 13.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -171.96 138.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -173.27 120.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.463 ' C ' ' CD2' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -168.53 145.02 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 57.7 p -174.78 140.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 331' ' ' PHE . 3.5 tp -169.19 157.62 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 330' ' ' LEU . 0.6 OUTLIER -175.4 147.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -175.79 148.96 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -178.1 141.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.0 t -171.71 140.3 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -173.29 158.61 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 12.6 p -172.11 115.96 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -178.2 82.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 23.9 pt -106.79 162.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.07 124.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.957 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 13.5 p -169.8 141.56 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 2.7 m -154.67 149.4 26.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 6.2 m -159.58 86.29 2.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.435 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.62 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 67.6 p -173.55 171.49 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 173.45 94.18 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.93 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -174.81 150.12 1.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.4 145.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -169.17 157.01 7.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.99 152.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -149.08 115.64 5.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 10.0 m -100.63 166.19 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -154.35 151.07 28.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -172.37 168.69 41.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -178.26 -92.64 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 17.6 m 61.88 84.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.776 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -51.08 -53.49 47.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 358' ' ' GLN . 18.3 Cg_endo -75.04 178.57 7.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 62.45 165.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -54.1 113.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -79.76 80.7 1.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -105.48 143.63 33.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -150.72 168.33 24.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.54 120.42 67.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -41.85 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 128.57 -83.62 0.33 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 75.8 -58.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 66.9 p -69.39 108.69 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.395 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -158.7 130.58 6.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -176.51 124.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.49 121.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.946 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -176.51 138.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -174.19 170.2 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -172.06 170.27 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 98.0 p -149.17 169.32 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.76 160.26 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.49 161.83 24.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.6 154.86 28.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -176.77 3.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -153.56 137.3 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 3.4 p -164.58 122.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 1.9 p -164.57 146.57 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 3.7 t 75.49 139.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -179.95 120.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 53.3 m -122.97 154.01 38.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -147.89 144.16 18.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 124.25 8.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -123.19 138.93 54.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 10.1 t -158.8 156.79 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 7.9 p -120.81 123.82 71.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -128.46 116.49 19.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -110.06 154.99 16.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 73.6 p -121.12 131.52 54.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 3.2 p -102.88 -4.97 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -176.5 164.31 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.51 -66.27 2.41 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.566 1.166 . . . . 0.0 111.031 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 174.87 100.36 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.46 162.06 32.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.009 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -146.0 73.92 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -54.81 165.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 90.83 -178.93 42.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.655 ' CZ ' ' CE2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -57.21 -169.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.244 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -50.27 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.543 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 8.5 m-20 -116.04 156.09 26.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.9 160.96 59.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.455 ' N ' ' NE2' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.98 134.34 17.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.25 31.21 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 85.2 -19.02 24.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.4 t80 -37.7 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.444 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 8.8 mtt -113.68 -70.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 23.1 p90 -161.47 176.88 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.483 ' CD ' HD21 ' A' ' 437' ' ' LEU . 0.0 OUTLIER -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.49 167.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.7 tp60 -133.61 118.12 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -63.19 156.97 23.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -124.97 -1.03 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.489 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.5 m-70 -148.98 169.87 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.572 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -106.98 103.91 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 2.1 t80 -115.26 113.56 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 22.1 m -80.13 114.46 19.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 116.34 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.0 p -120.77 94.27 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.531 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 20.9 t0 -140.56 -178.49 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' THR . . . . . 0.405 ' CG2' ' HA ' ' A' ' 303' ' ' GLN . 9.4 p -74.58 -6.01 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -168.7 47.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.531 ' OE1' ' CB ' ' A' ' 424' ' ' ASP . 1.1 tp10 -93.75 169.93 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.452 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -128.48 112.48 14.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.87 132.35 37.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 436' ' ' VAL . 2.8 mm? -122.8 145.06 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -125.05 134.26 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.38 99.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.03 47.74 2.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.444 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 29.0 t70 -110.15 169.34 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -117.16 124.82 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 430' ' ' LEU . 3.3 t -137.08 139.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.643 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -99.97 130.94 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.444 ' CG1' ' HE3' ' A' ' 411' ' ' MET . 4.3 t -80.41 110.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.457 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -120.56 153.89 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -54.86 -173.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -90.12 -31.76 16.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -156.48 146.23 15.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.82 20.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.78 -23.89 63.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.82 -21.25 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 3.0 tt0 -72.03 143.48 49.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -104.21 157.17 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.4 108.03 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.61 2.91 56.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.583 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -130.96 150.2 52.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.98 170.45 15.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 2.9 ttm -89.03 113.62 24.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -134.07 161.33 24.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.509 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 13.9 p -120.86 144.97 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.424 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 0.9 OUTLIER -78.73 160.8 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.426 ' CB ' ' CG2' ' A' ' 435' ' ' VAL . 7.3 tt0 -58.25 -40.26 81.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.509 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 40.6 m-20 -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.655 ' CE2' ' CZ ' ' A' ' 403' ' ' ARG . 3.9 t90 -52.73 -47.05 67.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -63.1 -23.57 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -86.99 18.2 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.554 ' CE1' HD22 ' A' ' 466' ' ' LEU . 2.0 t-80 -44.5 -24.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.55 -30.77 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -138.0 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 463' ' ' HIS . 0.2 OUTLIER -63.68 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -17.68 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 7.21 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . 0.413 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -114.21 -11.2 12.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 4.8 mtm180 -62.95 153.11 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.452 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -169.52 179.85 41.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 473' ' ' PHE . 2.9 t -124.18 158.56 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 472' ' ' VAL . 17.5 p90 -164.02 153.17 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.583 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 120.59 6.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.554 1.818 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.43 -39.43 85.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.6 m-20 -58.86 -30.72 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.586 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -84.37 2.96 38.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.504 HG22 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -132.76 176.27 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -136.53 151.25 49.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 2.7 mtt180 -83.43 137.78 33.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.13 117.49 58.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 140.29 106.03 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.95 116.78 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -169.59 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -172.68 165.84 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -176.52 171.6 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -171.58 143.42 1.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -75.01 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.1 91.6 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 280' ' ' ARG . 4.3 mt -79.42 149.52 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.424 ' N ' HG22 ' A' ' 279' ' ' ILE . 3.6 ttt85 -109.52 171.36 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.74 155.9 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.12 150.17 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.56 164.86 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.64 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.49 104.58 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.86 151.93 22.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.5 2.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -172.45 140.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -151.22 -177.85 25.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.53 125.9 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -153.3 132.28 12.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 12.0 t -114.97 107.16 50.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.57 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 147.09 105.55 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -128.71 121.68 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 21.0 m -109.56 128.53 55.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.4 mp -95.16 112.09 57.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 126.9 29.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.95 120.18 29.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 157.02 42.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.59 81.43 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -95.35 139.02 32.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.3 100.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -102.16 147.51 26.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -116.88 143.98 45.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -144.51 161.83 27.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.44 38.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.428 1.752 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.62 38.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 14.0 p -111.91 105.4 56.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.09 43.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.97 21.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.35 40.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.793 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -44.54 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.31 59.19 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -116.92 153.0 33.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 4.9 t -131.27 146.2 60.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 119.92 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.428 1.751 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 320' ' ' LYS . 8.5 t -117.67 158.12 25.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 319' ' ' SER . 0.2 OUTLIER -178.84 147.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -106.22 170.0 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.5 p -139.39 153.38 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.0 120.24 41.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -54.84 176.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -65.06 177.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -161.63 170.59 19.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 14.0 mt 63.58 117.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.91 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 77.6 p -115.72 143.17 45.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.49 159.06 33.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -155.82 146.58 22.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.95 151.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -178.52 144.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.4 t -172.1 132.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 162.18 23.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 3.2 p -156.84 119.35 2.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.18 42.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -175.7 128.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 1.5 tt -171.53 149.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.4 m -134.58 -179.24 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.004 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 2.7 p -156.42 145.4 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 72.4 p -131.24 -173.97 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 25.3 m -156.36 90.46 2.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.6 161.05 41.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.45 117.57 2.36 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -164.09 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 349' ' ' GLU . . . -171.64 155.13 3.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 348' ' ' ALA . 1.6 mt-10 166.39 156.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.326 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -171.28 147.88 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 7.4 t -171.56 138.05 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -160.11 90.32 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 84.1 t -96.93 134.84 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -154.01 158.97 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 138.31 171.73 12.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 357' ' ' THR . . . 75.67 -177.0 50.12 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 356' ' ' GLY . 22.1 m -38.49 143.24 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -64.49 116.11 25.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -177.03 -61.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -176.51 174.63 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -179.24 147.97 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -174.7 175.92 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.85 171.71 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -150.6 137.64 11.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -120.15 -120.0 2.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -146.24 148.1 32.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.766 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 6.4 t -144.44 132.52 21.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -60.37 165.67 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -78.49 -70.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.32 -64.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.11 101.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -150.13 169.86 20.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -174.04 155.57 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 53.8 p -173.26 169.34 4.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.26 170.66 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 88.5 p -119.02 169.61 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.6 94.47 2.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.03 32.15 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -107.39 -173.65 2.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 9.1 p -147.55 161.45 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 384' ' ' VAL . 7.7 p -127.27 153.24 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . 0.403 ' N ' HG23 ' A' ' 383' ' ' VAL . 9.2 p -138.15 137.29 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -114.52 165.75 12.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 39.7 p -108.39 -167.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -142.17 140.66 19.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.82 34.61 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -154.66 161.61 41.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 12.3 t -76.83 148.88 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.7 -63.07 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 59.88 93.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -83.06 -162.02 31.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.43 123.47 42.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 70.0 t -89.05 134.06 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.07 149.2 25.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -165.48 123.88 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 58.59 169.61 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 3.9 m -131.39 83.51 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -81.3 106.49 2.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -77.2 -53.82 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 76.4 -174.67 53.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.55 ' H ' ' NE ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -72.32 -171.6 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -124.84 -41.16 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -113.23 154.8 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.9 160.53 55.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 134.44 17.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.98 27.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.13 -22.84 24.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.7 t80 -36.75 147.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 111.007 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.46 ' HE1' ' CG1' ' A' ' 438' ' ' VAL . 7.7 mtt -108.76 -67.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 30.1 p90 -160.37 173.25 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.489 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.1 OUTLIER -93.8 142.8 26.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 436' ' ' VAL . 4.6 m -124.77 160.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 4.8 tp60 -129.58 125.45 36.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -69.2 146.81 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.37 -1.75 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.485 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.6 m-70 -148.62 170.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 p-10 -108.05 106.14 16.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.596 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.4 t80 -114.88 111.65 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 8.7 m -80.19 113.82 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.24 117.54 32.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -118.35 94.24 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -141.04 -174.78 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 7.0 t -85.06 -0.25 53.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.431 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -172.46 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -93.72 170.01 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 471' ' ' GLY . 3.5 tp -123.64 114.35 19.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -83.73 135.68 34.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.524 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 3.7 mm? -128.79 143.98 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.95 124.83 40.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -27.23 108.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.82 48.5 3.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.47 ' CB ' ' HD3' ' A' ' 431' ' ' LYS . 6.0 t0 -107.03 169.09 8.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.489 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 13.9 t -119.31 114.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.524 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 68.9 t -129.65 136.17 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.623 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -102.74 128.61 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' A' ' 412' ' ' PHE . 45.5 t -76.65 120.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.465 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.36 153.08 80.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.6 -175.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -26.22 35.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.15 148.67 9.62 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.86 16.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -19.93 62.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.75 -10.22 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.64 152.85 22.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.415 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 13.0 t70 -108.88 164.93 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 111.0 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.25 -5.24 58.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.4 m95 -126.41 153.21 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -143.59 172.36 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.2 114.04 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -133.0 172.37 21.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 459' ' ' ASP . 7.1 p -132.57 139.4 49.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 160.39 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.33 -35.96 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -43.31 75.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.466 ' CB ' HG22 ' A' ' 455' ' ' VAL . 4.9 m-20 -62.43 -32.64 73.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.8 t90 -51.7 -47.64 63.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -55.44 -25.87 38.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -90.51 16.9 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -23.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -57.65 -29.98 65.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -146.41 50.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.97 -17.65 18.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -110.44 7.49 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.99 0.77 9.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.53 146.11 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 428' ' ' LEU . . . -157.5 -179.95 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.5 t -124.94 154.35 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.576 ' CE1' HD12 ' A' ' 452' ' ' LEU . 18.1 p90 -159.61 149.56 14.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 119.14 5.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -35.91 80.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.2 m-20 -62.29 -28.45 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.6 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -88.55 3.1 51.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.505 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.78 173.58 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -127.35 150.24 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -85.54 137.36 32.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.403 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 46.8 t -114.43 117.71 42.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -176.64 145.53 7.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 2.8 t -173.73 113.35 0.33 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -170.12 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -168.91 165.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -152.63 173.79 14.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 4.5 m -162.08 89.54 1.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -151.0 174.42 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.2 tp -171.79 119.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.42 161.55 37.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.8 p -169.64 170.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -170.21 165.36 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -162.32 175.88 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.559 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.87 109.14 0.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.63 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -148.19 140.81 14.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -176.0 2.65 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -155.5 160.33 40.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -167.63 171.75 42.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -154.12 -172.47 22.14 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.78 149.72 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 52.8 m -152.68 112.92 2.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.34 35.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -108.7 -78.52 1.07 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 63.88 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.7 t -161.58 152.71 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.18 86.4 0.8 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.98 21.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -110.87 119.46 39.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 10.7 p -95.14 138.31 22.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 150.42 38.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 47.5 t -86.14 104.86 16.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.54 136.24 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.94 88.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -101.72 136.66 41.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 144.63 42.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -150.79 162.57 29.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.98 32.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 476' ' ' ASN . 13.6 p -106.44 105.13 53.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 149.35 36.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 157.22 42.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.61 39.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -54.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.09 91.6 5.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -114.41 140.94 48.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.622 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 4.9 t -57.09 118.13 22.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 72.67 4.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.88 174.76 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 116.38 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.15 138.57 49.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.79 77.79 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 128.48 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.52 148.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -110.24 136.56 49.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.02 162.22 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.4 pp -75.29 -171.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -151.6 172.11 16.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.42 155.0 45.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.74 149.07 52.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 331' ' ' PHE . 10.0 p90 -129.16 167.83 17.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.15 160.24 31.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.98 166.06 23.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 22.0 m -150.49 146.26 26.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -148.08 164.61 33.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.49 124.63 5.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.06 7.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.91 148.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 6.3 tt -168.26 158.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.5 t -136.26 161.99 34.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.45 172.25 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 2.2 t -149.02 142.35 25.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 8.6 m -120.18 107.97 38.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -177.11 3.24 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 90.5 p -155.62 171.19 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -157.44 122.14 2.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.87 5.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -153.09 177.11 11.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.23 161.07 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -164.1 165.69 22.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 20.8 t -177.26 138.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.06 168.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 93.8 t 63.46 137.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -176.54 155.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 132.63 179.12 15.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 152.68 -122.64 1.33 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 41.0 m 61.35 98.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.381 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . 0.472 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER 171.18 -55.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 358' ' ' GLN . 18.3 Cg_endo -75.04 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -52.99 168.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -42.2 125.22 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 152.37 86.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -175.79 172.26 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 68.26 81.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.99 83.51 44.24 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.98 25.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -165.53 167.7 39.11 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.52 158.97 40.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.259 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 15.3 t -144.29 164.43 30.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -171.9 159.88 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -170.77 165.68 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 10.0 p -172.17 143.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.46 171.52 5.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . 179.81 139.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -172.71 153.19 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 53.5 p -179.42 164.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.93 164.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.5 114.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.11 92.69 6.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.25 6.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -150.34 132.45 15.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 7.2 p -170.81 125.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 9.1 p -167.54 153.78 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.3 p -163.19 140.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.78 128.75 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.093 . . . . 0.0 110.365 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.7 m 62.09 128.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 387' ' ' PHE . 20.4 p90 -106.86 138.13 19.7 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 387' ' ' PHE . 18.3 Cg_endo -75.05 131.04 13.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.442 1.759 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -168.62 64.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 72.6 p -126.37 62.66 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 32.8 m -105.12 126.81 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.18 148.41 37.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -129.36 152.32 19.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.152 . . . . 0.0 110.988 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.8 m 59.67 151.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 35.2 m -100.96 164.09 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -89.99 117.81 29.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -143.99 133.26 5.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 150.85 129.83 1.65 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.93 142.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 0.734 . . . . 0.0 109.98 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -105.06 -62.78 0.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -124.51 141.35 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -154.47 -166.51 15.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -104.98 137.47 42.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.18 -34.52 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.51 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 7.1 m-20 -72.63 155.03 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 158.56 31.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.94 136.22 20.25 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.457 1.767 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.34 21.55 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.2 -23.3 15.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.502 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 25.8 t80 -36.84 152.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -115.6 -66.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.526 ' CE2' ' HD3' ' A' ' 480' ' ' ARG . 36.6 p90 -158.88 176.05 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.15 150.28 22.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.2 m -131.92 165.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -133.4 121.4 22.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.41 153.01 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -122.75 -1.48 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.1 m-70 -147.99 169.89 18.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.567 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -107.68 101.43 10.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.4 t80 -111.67 112.4 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.6 m -80.61 114.39 19.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.615 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -112.92 116.4 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.0 p -118.6 92.73 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.423 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 7.6 t0 -142.87 -174.9 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -85.83 -7.41 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -158.28 40.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -98.72 161.78 13.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 454' ' ' GLY . 0.3 OUTLIER -123.29 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -82.26 139.05 34.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.5 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -130.17 141.59 50.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -123.02 131.43 53.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.97 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.17 44.44 3.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -107.03 166.34 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 1.2 m -114.92 124.56 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 18.9 t -136.61 144.94 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.569 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.56 132.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.452 HG22 ' CE2' ' A' ' 412' ' ' PHE . 6.0 t -84.78 118.2 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.09 152.82 73.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.53 4.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.43 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.48 -10.46 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.33 148.48 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.27 -27.86 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -86.01 -10.99 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.01 149.26 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -102.22 169.7 8.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.16 107.34 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.29 -10.24 59.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -123.53 143.27 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.405 ' CD1' ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -131.93 172.41 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.74 112.92 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' A' ' 428' ' ' LEU . . . -128.37 -179.97 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.524 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 11.1 p -138.97 144.7 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.27 158.72 26.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 5.2 tt0 -57.32 -38.2 73.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -40.04 87.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.524 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.4 m-20 -60.0 -33.14 71.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.569 ' CE3' HD11 ' A' ' 437' ' ' LEU . 3.7 t90 -52.52 -47.94 66.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -67.52 -25.18 65.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -85.56 18.53 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.634 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.83 -24.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.619 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.91 -32.73 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -139.01 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -32.03 70.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -61.04 -23.73 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -109.38 7.39 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -8.7 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -61.69 151.65 33.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -167.11 178.59 41.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -122.17 160.08 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.5 p90 -163.39 154.04 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 117.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.43 -29.82 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.459 ' HB2' ' CG1' ' A' ' 310' ' ' VAL . 0.6 OUTLIER -67.56 -29.15 68.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.605 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.525 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -130.02 175.72 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.75 148.56 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.526 ' HD3' ' CE2' ' A' ' 412' ' ' PHE . 3.7 mtt180 -82.47 141.47 32.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.6 124.43 29.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -97.12 -83.01 1.67 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 83.8 p -175.03 110.36 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 110.033 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.93 3.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.99 153.48 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . 178.32 173.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.91 110.05 0.83 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.13 170.88 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.99 137.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -148.75 150.51 33.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.0 p -169.49 163.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.83 167.77 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -164.85 176.81 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -176.65 126.3 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -172.86 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.792 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.99 139.23 14.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.67 3.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -159.14 170.72 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.38 -177.24 23.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.99 -172.18 31.14 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -149.73 174.87 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 8.3 t -175.43 69.8 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.56 12.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -157.1 -165.8 15.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -168.37 175.23 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.4 m -152.72 151.05 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 2.5 pp -146.23 97.78 4.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -179.67 5.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -164.88 139.26 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.2 122.86 27.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.1 42.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.554 1.818 . . . . 0.0 111.015 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 11.9 t -111.75 75.19 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -98.43 137.06 37.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 3.0 mt 71.3 56.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -80.48 150.8 29.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.67 166.33 21.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -150.6 160.99 28.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.52 41.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 160.09 40.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 2.9 p -113.72 104.12 55.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.19 25.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.38 41.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.57 34.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 104.35 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.88 115.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -84.67 132.91 34.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 317' ' ' THR . 14.7 t -164.4 109.33 0.88 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.17 3.26 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.66 141.31 28.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.31 166.47 18.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.3 155.32 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.5 p -136.96 169.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 66.66 106.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -176.02 85.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.06 164.13 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.13 146.5 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 13.1 mm -134.63 146.23 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . 0.492 ' C ' ' CD2' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -152.06 153.63 34.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.7 156.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.0 161.28 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -175.35 154.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -175.79 145.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -171.51 135.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.4 t -164.27 153.06 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -178.0 99.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 10.8 m -98.36 122.21 54.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.68 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -166.0 153.15 9.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 4.3 tp -164.98 125.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 11.2 p -134.74 153.64 51.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.976 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 25.5 m -144.97 179.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 22.0 m -157.95 134.23 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.395 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 10.3 t -120.43 127.83 26.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.023 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 18.9 m -163.96 179.18 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -150.42 153.71 34.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -164.57 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -143.66 -60.36 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.67 160.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -178.78 167.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.38 171.01 19.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.79 164.29 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 4.6 p -124.44 143.42 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -127.49 130.85 49.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -152.07 137.28 5.85 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -146.4 173.13 26.78 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 10.8 p -130.42 105.39 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -175.19 165.73 2.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.96 2.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 62.52 136.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -174.97 114.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -140.28 164.54 26.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -166.45 152.18 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -154.88 167.89 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -164.34 140.32 4.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.257 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.2 2.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -127.57 -150.52 7.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -156.9 169.12 25.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 2.4 t -158.23 124.62 4.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.37 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -117.9 163.26 16.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -170.11 158.98 7.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.62 163.37 4.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.96 163.86 38.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -169.75 152.66 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -165.0 172.59 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.04 170.38 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.6 162.66 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.66 112.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.93 68.9 0.5 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.23 13.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -171.17 143.71 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.62 157.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 11.7 p -161.4 145.11 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.95 144.82 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -167.74 135.51 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 74.8 p -110.01 175.41 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -170.95 104.32 0.4 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 160.79 39.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -151.27 151.64 32.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 3.6 m -147.92 110.17 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 87.0 t -131.73 129.33 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -157.2 104.2 2.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 164.01 108.67 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.4 t -171.11 61.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.448 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 4.9 t -87.29 145.74 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -119.65 153.92 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 66.25 143.61 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -128.17 -158.85 9.83 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 4.5 t -120.8 137.19 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 50.48 -170.31 0.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -150.72 -66.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 127.13 -168.71 19.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -76.11 173.09 11.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.68 -34.97 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -111.71 155.35 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.7 161.4 47.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.96 18.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.79 22.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 92.15 -23.31 27.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.08 148.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -107.48 -69.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.2 p90 -159.98 177.11 11.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.483 ' NZ ' ' CD2' ' A' ' 437' ' ' LEU . 0.3 OUTLIER -94.51 144.98 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 438' ' ' VAL . 1.8 m -132.73 163.2 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.437 ' N ' HG23 ' A' ' 481' ' ' VAL . 1.5 tp60 -134.61 124.66 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.11 154.6 37.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 478' ' ' THR . 3.8 mt-30 -124.45 -1.56 8.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.476 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.0 m-70 -147.97 169.97 18.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.74 100.62 9.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.606 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.1 t80 -111.28 108.99 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.3 m -77.59 113.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.606 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.12 117.94 34.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.1 p -119.16 94.09 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.54 -177.51 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -84.91 6.65 24.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.42 45.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.67 170.37 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.413 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -125.53 113.52 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -81.97 135.57 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.496 ' CD1' ' OD2' ' A' ' 434' ' ' ASP . 3.2 mm? -126.83 147.99 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.83 129.85 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.19 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.69 47.35 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.498 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 26.0 t0 -111.05 166.81 10.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 457' ' ' GLU . 2.8 m -117.17 121.93 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.476 HG23 ' CD1' ' A' ' 430' ' ' LEU . 24.3 t -133.22 149.8 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.483 ' CD2' ' NZ ' ' A' ' 413' ' ' LYS . 0.1 OUTLIER -113.71 128.29 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 412' ' ' PHE . 55.9 t -77.08 120.64 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.95 4.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.44 -172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -86.5 -20.88 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.406 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -169.48 149.22 3.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . 0.406 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.01 -17.73 19.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -19.56 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -90.53 -7.99 51.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.458 ' CG ' ' HA ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -92.24 149.65 21.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.468 ' OD1' ' CD1' ' A' ' 451' ' ' TRP . 6.3 t70 -106.43 166.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.32 111.15 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 95.82 6.87 59.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 5.2 m95 -131.57 156.02 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -146.72 169.1 19.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -90.83 112.76 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -135.06 166.91 24.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.568 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 9.7 p -129.97 145.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.498 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 3.4 mtmp? -75.99 163.75 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.45 ' CB ' HG22 ' A' ' 435' ' ' VAL . 3.5 tt0 -59.49 -44.99 92.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -40.76 75.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.568 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 88.9 m-20 -67.11 -31.3 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -50.08 -47.2 53.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.53 -26.58 43.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.498 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -88.5 16.57 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.28 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.597 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.2 mttp -58.33 -40.67 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -147.62 47.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -70.8 -30.2 66.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 2.3 mt-10 -55.45 -17.17 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -101.79 8.09 41.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 469' ' ' CYS . 0.5 OUTLIER -130.3 8.51 5.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.433 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -57.12 155.3 8.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.413 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -158.24 -178.88 32.69 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.85 157.19 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -164.61 152.9 10.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.98 122.2 7.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.76 -40.54 79.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.9 OUTLIER -59.21 -28.91 67.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.57 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -83.95 1.21 44.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.81 -179.92 5.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.84 154.26 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.478 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 9.2 mtt180 -78.5 138.48 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 415' ' ' GLN . 2.4 t -106.1 118.82 54.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -156.91 -162.03 11.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.99 105.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 171.91 17.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.23 175.49 9.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -140.23 157.63 45.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 89.7 m -132.83 118.76 15.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.1 23.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.35 160.99 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.96 136.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.54 150.87 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.45 140.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -136.96 177.6 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.87 175.44 13.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.55 146.05 10.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.63 10.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.504 1.792 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.45 122.77 17.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.75 42.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.02 39.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.55 170.56 29.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.92 163.9 35.02 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -152.72 147.95 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 292' ' ' THR . 12.9 t -172.55 89.78 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.38 24.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 295' ' ' ALA . . . -144.62 144.73 13.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 294' ' ' GLY . . . 167.04 104.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.7 p -111.73 -23.02 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.409 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 53.99 87.41 0.14 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.97 3.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 165.95 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.43 104.29 55.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 140.93 26.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 0.452 ' HB3' ' CG ' ' A' ' 305' ' ' ARG . 0.2 OUTLIER -47.77 114.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.52 129.92 45.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.32 58.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . 0.452 ' CG ' ' HB3' ' A' ' 302' ' ' SER . 77.0 mtp180 -80.57 151.15 29.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.85 163.76 24.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -145.09 171.55 26.19 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.123 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 148.34 35.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.99 42.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 5.0 p -107.83 105.05 55.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 159.73 40.81 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.99 41.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.62 43.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 72.02 4.77 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -123.23 -61.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.58 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.616 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 4.0 t -144.54 113.6 5.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.2 87.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.8 157.94 15.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -142.16 165.77 26.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 4.6 p -174.57 125.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -103.15 -179.5 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.97 178.56 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -144.42 -179.51 6.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.95 -178.96 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 7.9 tt -155.96 171.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.4 169.3 18.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.88 163.88 31.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.96 148.93 44.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -124.73 -175.05 3.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.14 174.55 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -172.67 126.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 11.7 p -98.03 -177.88 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -166.04 168.9 15.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 13.0 p -153.63 128.78 4.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.71 4.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.769 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -174.91 146.35 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -173.66 133.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 64.4 p -155.66 149.54 25.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 8.5 p -168.56 162.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 6.0 t -167.83 150.79 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 5.2 m -161.93 108.47 1.16 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.37 163.9 6.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -170.54 108.11 0.43 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.49 11.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . 177.08 134.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 174.12 158.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . 75.33 130.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.39 120.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 110.053 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 155.0 22.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 72.9 t -125.58 -61.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 59.47 108.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -145.34 172.33 26.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -153.84 -102.5 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 4.0 m -42.28 -30.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.0 94.37 4.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.45 38.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -125.58 137.8 53.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -72.28 112.69 8.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -86.48 -119.42 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -172.76 164.22 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.54 130.54 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.13 144.61 8.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.7 8.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -87.54 -145.53 10.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.11 175.42 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 22.9 p -132.41 -179.37 5.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -140.99 173.14 11.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -140.12 157.74 45.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 31.5 m -141.63 147.85 38.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -110.45 171.1 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -123.62 173.91 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -146.8 168.45 21.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 60.0 p -131.98 171.17 13.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 1.3 m -151.72 169.63 21.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 9.6 p -151.87 171.5 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -148.89 151.46 34.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -179.11 4.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -117.33 175.75 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 68.4 t -107.48 137.75 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 87.5 t -112.01 116.59 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 7.5 p -85.48 149.4 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -126.89 170.92 11.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 16.7 m -127.84 161.34 29.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 387' ' ' PHE . 0.8 OUTLIER -136.5 152.28 74.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.6 43.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -99.64 149.36 23.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.2 p -125.98 159.11 33.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 35.2 m -103.37 139.05 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -104.8 158.47 16.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -176.9 -149.68 7.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.5 m -99.41 128.8 45.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 34.9 m -133.37 156.47 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.3 76.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 110.256 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -162.52 -153.45 7.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 108.31 -156.33 15.8 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 6.5 t -55.64 152.16 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.966 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -108.26 -77.79 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -55.6 135.33 51.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -177.18 -169.6 38.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.403 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -74.0 -171.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.754 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -124.65 -42.42 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -114.98 155.02 27.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 160.49 58.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.69 18.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 144.19 30.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.21 -21.19 22.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.92 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.965 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -111.76 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.557 ' CE1' HG22 ' A' ' 438' ' ' VAL . 32.5 p90 -161.2 174.39 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.0 150.5 20.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' A' ' 438' ' ' VAL . 1.4 m -132.78 166.42 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -132.82 122.95 25.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.487 ' CB ' HD23 ' A' ' 430' ' ' LEU . . . -65.39 151.5 46.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 478' ' ' THR . 4.0 mt-30 -120.48 -3.28 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.473 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.3 m-70 -149.26 169.63 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -105.64 104.39 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.602 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.2 t80 -114.07 108.82 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -78.71 113.6 16.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.602 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.38 118.15 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 41.7 p -118.63 94.36 4.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -141.35 -175.93 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -87.06 7.36 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -177.04 39.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.75 170.71 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.21 113.6 17.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.7 137.11 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -130.23 149.32 51.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -128.59 133.94 48.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.76 99.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.23 48.46 1.71 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.409 ' HB2' ' HG2' ' A' ' 431' ' ' LYS . 13.2 t70 -109.82 169.55 8.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -118.46 121.49 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 7.3 t -133.98 143.55 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.646 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.29 131.43 54.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.557 HG22 ' CE1' ' A' ' 412' ' ' PHE . 96.9 t -80.91 120.8 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.459 HD11 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.87 152.45 79.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.98 -171.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -85.21 -16.42 40.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.409 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -176.11 148.1 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . 0.409 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.1 Cg_endo -75.05 -19.7 17.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -92.49 -12.21 32.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.16 148.83 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -99.02 174.01 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.89 112.21 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.79 -9.76 62.14 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 3.0 m95 -117.18 158.82 23.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.456 HD12 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -149.45 170.85 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -91.92 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.459 ' CA ' HD11 ' A' ' 439' ' ' ILE . . . -130.21 175.5 19.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.443 ' CG1' ' HG ' ' A' ' 437' ' ' LEU . 8.9 p -136.16 142.28 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.266 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.402 ' HD2' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -79.57 159.94 26.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.39 70.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER -60.43 -32.66 71.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.646 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.2 t90 -51.21 -47.79 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -54.37 -25.39 24.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.446 ' C ' ' N ' ' A' ' 464' ' ' LYS . 69.7 mm-40 -91.14 16.88 8.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -45.61 -22.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -57.79 -29.61 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -149.71 56.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 0.3 OUTLIER -69.52 -31.17 69.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.12 -17.89 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.05 7.78 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 -1.55 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 13.3 mtm180 -66.52 155.49 37.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.67 177.22 36.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.92 155.03 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.297 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.456 ' CE1' HD12 ' A' ' 452' ' ' LEU . 16.2 p90 -162.87 153.26 13.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.07 119.93 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -33.68 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -27.81 69.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -87.11 4.52 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.42 178.82 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -133.09 144.65 50.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.46 142.25 33.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.46 115.43 34.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -172.05 71.59 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 94.4 p -159.96 148.53 13.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 179.19 6.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.95 170.99 14.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -143.18 174.51 10.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.29 147.75 63.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -148.04 155.11 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 2.2 tt -138.35 155.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.06 167.67 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.09 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -146.64 167.91 22.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.55 174.65 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.01 147.6 19.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.68 4.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -134.47 146.11 57.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.56 14.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.574 1.828 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.0 163.41 32.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -110.55 -170.59 19.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.456 1.098 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -152.69 -155.52 7.13 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -144.74 172.47 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 6.6 m -139.44 136.08 17.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.57 -146.46 7.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -151.21 168.2 25.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 17.1 m -151.0 128.12 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.97 114.08 56.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 149.73 37.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -99.63 126.68 45.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.33 136.75 19.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 145.98 32.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.54 1.811 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 2.8 m -130.36 113.92 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -85.09 145.91 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 424' ' ' ASP . 0.2 OUTLIER -147.65 77.06 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -101.54 108.9 20.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 307' ' ' GLY . 14.7 tppt? 177.78 154.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 306' ' ' LYS . . . 170.36 144.7 4.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.38 29.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.553 1.817 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.22 35.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 2.5 p -105.93 104.45 49.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 145.71 31.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.81 33.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 158.45 42.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.13 4.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -60.19 -58.92 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 6.3 m80 66.31 106.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 38.2 m -77.89 113.58 34.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.384 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.17 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 22.9 t -80.98 156.5 25.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.21 149.37 42.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.53 168.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.2 m -93.21 -34.48 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 5.0 tttp 59.04 176.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -150.17 143.39 25.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -176.68 126.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -156.47 161.44 40.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 327' ' ' ILE . 0.0 OUTLIER -170.98 87.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.81 138.78 51.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 78.1 p -127.22 162.03 27.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.11 168.51 20.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.22 152.43 30.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -119.18 168.61 10.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.96 127.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.2 t -156.3 153.26 28.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -136.36 179.45 6.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.76 118.04 2.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.16 2.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -171.57 82.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 4.6 mt -114.46 143.46 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 55.2 p 179.06 69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.06 113.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 343' ' ' THR . 24.2 p -130.85 -74.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.448 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 0.4 OUTLIER 75.75 136.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -75.03 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 346' ' ' GLN . 19.0 m -130.4 -59.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 345' ' ' SER . 0.3 OUTLIER 58.62 115.2 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.304 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -169.09 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -157.46 -65.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.21 169.83 10.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -166.02 66.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 32.2 m 63.16 159.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -167.55 164.11 14.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 34.9 m -66.09 156.39 6.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 71.41 169.16 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -79.85 -160.43 20.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.082 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -100.32 -159.07 28.09 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 358' ' ' GLN . 15.9 p -124.17 159.93 28.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 357' ' ' THR . 0.0 OUTLIER -38.48 99.27 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.94 42.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -128.76 146.12 50.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -69.33 163.31 25.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -155.5 -160.82 10.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -130.16 174.94 9.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -174.3 166.29 4.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.63 151.07 68.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.25 23.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -104.4 -159.39 24.05 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . 0.552 ' O ' ' CG2' ' A' ' 369' ' ' THR . 0.1 OUTLIER -163.03 -65.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' THR . . . . . 0.552 ' CG2' ' O ' ' A' ' 368' ' ' GLU . 10.7 t 54.27 165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -143.18 170.81 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -163.83 133.85 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.22 162.68 3.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -161.21 158.32 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -147.34 -61.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . 62.71 99.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.6 166.16 25.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.44 149.1 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.96 156.65 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.66 96.09 0.37 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -179.8 5.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -154.05 139.05 17.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 6.2 p -172.6 141.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 1.6 p -143.08 149.52 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.4 p -153.66 149.61 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -162.08 88.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.2 m -92.81 112.09 23.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.67 91.68 17.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 111.005 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.09 9.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.806 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -97.77 -170.96 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 27.2 p -143.94 54.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 78.6 t -86.7 82.24 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.66 155.37 18.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -62.82 168.78 17.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 31.0 p -60.38 174.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.805 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 8.7 p -138.15 150.38 24.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.13 101.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 106.56 -75.94 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.948 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 71.8 144.68 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.24 85.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 44.89 84.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -129.71 168.07 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.267 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 80.4 -162.65 45.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.474 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -72.63 -177.67 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -119.75 -39.7 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -112.82 153.34 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.66 161.46 53.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.28 17.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 141.46 26.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.769 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.64 -23.4 16.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.8 t80 -35.98 154.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -116.2 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 22.0 p90 -162.01 175.8 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.482 ' CD ' HD23 ' A' ' 437' ' ' LEU . 0.0 OUTLIER -94.15 144.29 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 436' ' ' VAL . 5.2 m -125.6 164.73 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -134.07 119.31 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -63.87 157.16 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.18 -2.38 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.7 m-70 -148.48 170.55 17.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.2 OUTLIER -109.17 104.67 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.63 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.5 t80 -115.2 120.39 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 55.3 m -85.02 114.86 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.63 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -111.97 116.56 30.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -119.1 94.4 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 304' ' ' LEU . 16.3 t0 -141.84 -174.74 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -79.23 -14.53 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -160.22 45.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -92.35 170.58 9.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.478 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -126.29 118.24 24.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -84.98 127.96 34.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.22 145.39 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.49 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -128.05 131.01 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.73 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.66 42.39 3.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.49 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 12.9 t0 -103.98 164.75 11.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 3.4 m -118.06 117.71 55.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 414' ' ' VAL . 2.5 t -131.49 141.73 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.654 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -102.15 132.32 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 412' ' ' PHE . 32.5 t -80.23 116.1 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -124.08 152.93 67.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.77 4.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.443 1.759 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.85 -172.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -83.93 -20.44 32.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.89 148.16 1.66 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.89 14.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.11 -24.75 64.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . 0.438 ' O ' ' NH2' ' A' ' 305' ' ' ARG . 1.9 mt-10 -87.49 -12.48 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.46 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.4 142.73 29.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -84.9 173.43 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.31 108.73 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.27 -4.25 58.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.584 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 1.5 m95 -122.72 141.95 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -128.4 169.68 14.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 1.2 ttm -88.77 113.55 24.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -133.23 167.5 23.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.573 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 8.9 p -131.11 142.49 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -75.08 160.13 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.69 -41.7 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -38.61 84.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.573 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 54.7 m-20 -66.14 -32.39 73.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.654 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.7 t90 -51.58 -48.53 63.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -55.93 -25.41 43.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -89.99 17.58 6.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 3.2 t60 -45.65 -22.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -58.22 -30.77 66.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -159.26 51.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -69.75 -30.19 67.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.2 OUTLIER -53.56 -20.77 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -99.83 8.11 44.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.46 6.65 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.443 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 4.0 mtm180 -60.57 152.97 24.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.478 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -160.04 -179.85 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -122.83 155.67 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -160.47 151.83 16.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.584 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.97 119.6 5.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -35.7 78.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.0 OUTLIER -62.47 -31.5 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.567 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -85.04 0.72 50.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -128.71 174.39 9.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -131.56 153.07 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.9 mtt180 -86.95 133.68 33.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.267 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.14 119.59 56.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 82.18 126.45 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.48 107.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.016 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -168.73 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . 178.05 162.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -169.33 168.02 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 9.0 m -161.15 100.86 1.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.72 145.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -169.8 123.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -140.23 121.22 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 282' ' ' ASN . 51.3 t -125.79 162.84 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . 0.429 ' N ' ' CG1' ' A' ' 281' ' ' VAL . 0.7 OUTLIER -169.89 163.41 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -177.74 178.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 173.49 114.26 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -174.66 92.62 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . 179.02 167.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 161.15 168.8 23.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 165.6 156.84 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -167.94 176.09 6.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 105.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -158.45 -161.48 11.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -178.63 156.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 78.6 m -156.16 135.05 11.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.45 103.44 3.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -163.37 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 147.25 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 18.1 p -121.23 108.96 35.55 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.32 42.84 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.51 1.795 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.57 80.15 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -98.68 160.65 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.28 88.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -102.11 151.04 22.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 164.91 27.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -154.43 -179.19 29.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.45 39.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 161.02 39.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 9.9 p -110.6 113.67 55.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.58 29.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.16 32.42 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.23 14.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.449 1.762 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.27 127.02 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.35 74.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 1.2 m -121.43 93.78 48.7 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.86 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.02 -159.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 78.46 133.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -147.8 133.14 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 323' ' ' LYS . 14.6 p -78.53 157.66 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . 0.406 ' N ' HG23 ' A' ' 322' ' ' VAL . 2.7 pttt -130.38 -169.29 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -148.29 -166.68 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -159.98 -168.97 2.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.85 153.81 28.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -161.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -171.07 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 14.4 p -174.85 116.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.67 179.91 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -155.67 148.6 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -147.19 168.82 20.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -174.1 140.21 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.68 150.81 49.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . 0.451 ' O ' ' CG1' ' A' ' 336' ' ' VAL . 1.1 m-85 -146.09 161.14 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 335' ' ' PHE . 33.5 m -155.92 114.97 2.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.5 3.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.441 1.758 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.47 149.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.1 tt -170.02 146.15 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 341' ' ' VAL . 3.2 t -178.97 128.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 340' ' ' SER . 30.5 m -157.78 157.25 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 1.5 m -162.16 139.58 8.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 2.9 m -162.78 114.11 1.09 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 44.6 t -176.82 160.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -174.82 89.37 0.31 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 176.74 9.52 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -176.26 163.2 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -178.32 173.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -172.52 175.84 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 1.7 m 179.26 171.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -145.73 176.04 9.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.73 152.5 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -177.4 156.94 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 161.81 168.66 24.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 154.33 -140.64 7.61 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 68.4 p 42.97 91.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.83 117.32 66.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -64.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 61.7 101.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -122.64 174.02 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 145.59 -138.6 7.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 62.8 65.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.258 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 63.1 130.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 56.59 95.29 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.13 15.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -121.82 -111.15 2.14 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 65.8 133.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 14.0 t -129.5 149.27 51.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -150.86 139.75 20.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -130.54 -64.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.08 146.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.96 125.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -175.65 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -45.8 129.15 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.14 140.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.54 155.55 36.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 37.5 p -124.96 -63.84 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.54 132.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 176.12 10.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -148.54 92.49 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 46.1 t -103.3 -74.0 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 70.32 125.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 3.4 t -145.95 125.46 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -176.4 152.5 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 8.9 t -144.46 146.01 32.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.69 94.21 39.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.59 5.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.56 153.53 42.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.8 t -168.23 146.31 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 72.5 t -70.04 144.15 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -131.34 134.47 46.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -168.77 125.68 1.3 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 396' ' ' GLU . 22.7 p -107.62 -35.05 6.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 48.6 t 64.79 -79.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 394' ' ' THR . 4.4 mm-40 64.7 102.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -139.61 138.32 9.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 97.39 112.86 3.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 60.8 p -135.91 133.87 38.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.67 104.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -110.23 91.0 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 163.18 173.93 32.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.142 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -75.28 -177.91 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.1 pt? -119.14 -40.6 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.534 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 34.8 m-20 -112.39 155.12 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.0 161.39 58.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.426 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -75.01 134.27 17.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.28 24.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.771 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.77 -24.41 15.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.5 t80 -35.74 150.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 111.026 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.465 ' HE2' ' CG1' ' A' ' 438' ' ' VAL . 11.0 mtt -112.55 -68.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 17.9 p90 -160.77 177.92 9.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.433 ' CD ' HD21 ' A' ' 437' ' ' LEU . 0.0 OUTLIER -95.59 146.04 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 436' ' ' VAL . 6.1 m -128.03 166.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.5 121.49 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.55 154.16 39.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -122.47 -3.39 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.518 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.1 m-70 -149.06 170.2 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 9.2 t70 -106.78 101.48 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.588 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -114.0 110.32 19.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.93 116.63 16.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 112.9 24.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' THR . . . . . 0.546 ' N ' ' OE1' ' A' ' 427' ' ' GLU . 21.3 p -120.01 92.51 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.426 ' CB ' ' HG3' ' A' ' 427' ' ' GLU . 38.9 t0 -141.92 178.07 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.4 t -71.46 -4.51 26.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -169.73 44.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 423' ' ' THR . 1.9 mt-10 -92.09 167.93 11.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.92 119.96 30.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -85.52 134.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.519 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.3 mm? -128.82 143.66 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.11 133.77 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.0 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.99 47.06 1.8 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.478 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 21.6 t70 -109.41 168.55 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -117.09 122.84 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.519 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 4.4 t -134.82 142.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.565 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -104.72 132.61 50.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.465 ' CG1' ' HE2' ' A' ' 411' ' ' MET . 5.5 t -80.94 114.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.472 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.47 153.27 62.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.46 -178.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -87.28 0.33 55.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.54 147.34 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.27 20.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.1 -21.62 61.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -11.9 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 3.1 tt0 -84.09 144.97 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -105.27 164.39 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 108.39 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.04 -11.39 58.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.0 OUTLIER -119.31 150.93 39.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.581 HD11 ' CE1' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -141.14 172.1 13.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.61 114.66 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.472 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -134.54 169.24 23.2 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.557 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.4 p -133.03 145.53 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -78.33 160.37 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.29 -43.73 88.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -38.54 78.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.557 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 3.1 m-20 -66.57 -31.44 72.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.565 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -50.51 -47.63 57.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -56.35 -25.44 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -88.07 16.82 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 405' ' ' ASP . 0.2 OUTLIER -45.45 -23.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.1 mtpm? -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.04 42.02 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.71 -29.89 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -55.35 -18.32 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -102.01 7.06 41.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.6 3.57 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -57.93 154.41 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -158.72 -179.69 33.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.9 156.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' A' ' 452' ' ' LEU . 22.7 p90 -160.45 149.12 13.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 119.76 5.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' A' ' 478' ' ' THR . 2.3 tt0 -67.38 -37.53 83.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.3 m-20 -60.88 -28.42 68.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.603 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -88.52 3.01 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.539 HG22 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.91 173.36 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.29 155.87 47.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -88.58 134.96 33.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.16 117.96 58.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 144.22 -67.99 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 112.34 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.027 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.7 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -160.75 178.67 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -167.52 175.32 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 6.5 t -174.23 95.61 0.31 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -175.52 2.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.05 163.47 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.2 tt -163.7 172.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -172.43 161.02 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.13 134.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -141.86 154.95 45.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.19 150.06 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.59 121.41 3.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.76 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.03 96.42 0.53 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.68 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.96 178.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 171.07 176.01 39.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 170.04 157.74 12.82 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.13 178.89 8.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.5 t -177.06 104.15 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -166.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 164.83 161.43 13.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -174.32 179.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.5 t -160.61 177.03 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.2 pp -173.31 110.21 0.33 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.45 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.32 159.48 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 69.9 m -119.1 113.36 35.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.82 42.74 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 13.5 p -137.46 77.36 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -98.16 161.14 13.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 3.3 tp 67.66 95.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -102.06 151.56 22.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -122.53 145.37 48.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -154.94 157.22 27.46 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 148.52 35.7 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 161.88 37.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 12.5 p -106.04 105.99 55.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.27 29.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.01 23.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.8 30.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 57.21 4.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.5 -177.48 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -116.89 153.58 32.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 33.4 m -148.27 100.12 3.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.68 31.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.34 169.69 21.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.59 -167.09 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.63 145.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 33.9 m -150.01 175.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -110.33 124.52 51.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -57.92 162.3 3.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -179.86 122.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -137.01 149.18 47.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.6 tp -166.26 147.49 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.67 157.45 12.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.67 151.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.84 145.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -174.88 150.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -176.96 152.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.341 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.24 153.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.7 t -169.31 172.85 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -175.96 151.21 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 29.9 m -146.39 139.87 14.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.12 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -175.22 64.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.5 mt -80.59 141.29 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 90.2 p -157.69 151.82 24.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 11.8 p -170.27 159.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 2.9 t -159.09 156.71 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 343' ' ' THR . 12.8 t -151.83 101.58 2.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.398 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.5 -175.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -156.29 140.72 11.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -153.16 169.11 23.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.79 -178.59 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -152.52 -169.09 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 352' ' ' GLU . 0.4 OUTLIER 168.69 173.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 351' ' ' SER . 0.0 OUTLIER 81.3 53.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.44 139.41 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -174.71 156.72 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 142.85 160.59 8.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.82 -135.36 0.65 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 1.8 m -42.75 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 0.724 . . . . 0.0 110.394 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 64.67 146.72 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.2 23.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -112.94 163.58 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -157.13 161.73 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -141.27 -106.2 0.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 65.69 118.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.32 164.42 32.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.75 137.47 23.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.69 6.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -135.62 162.66 24.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.05 164.12 26.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 14.9 t -173.91 154.56 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -168.05 149.4 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -172.15 146.88 1.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.29 141.36 6.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.926 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -166.84 171.48 11.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 110.356 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -141.07 172.54 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -151.59 175.17 12.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 86.7 p -140.49 166.61 24.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 60.5 m -115.57 170.16 8.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.14 161.83 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.023 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 4.6 tp -133.97 99.27 13.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.74 41.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -150.81 -179.46 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 64.8 t 57.69 103.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 11.8 p -133.56 62.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.4 p -147.55 154.02 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.1 159.17 17.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.2 m -146.19 131.92 18.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -57.53 121.23 46.93 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.39 2.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -47.35 128.79 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.8 t -173.96 120.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 34.7 m -86.87 138.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.24 -51.66 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 102.34 -128.22 9.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 25.8 m 58.64 110.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.385 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.06 -64.37 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.04 -62.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 109.34 -153.83 16.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 56.05 61.9 6.93 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 3.5 t -42.83 164.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 97.89 85.55 1.81 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -155.07 79.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 143.16 -170.06 25.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.485 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -75.2 179.18 5.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.275 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -37.86 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.43 155.1 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.3 161.06 47.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.33 17.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.53 27.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.47 -22.23 14.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.2 t80 -36.09 152.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.464 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 10.0 mtt -113.02 -70.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 12.3 p90 -160.57 175.57 12.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 140.19 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.34 163.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -133.88 120.05 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.58 150.09 49.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.81 -3.94 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.502 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.0 m-70 -145.88 170.44 16.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.35 105.5 15.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.7 OUTLIER -114.98 108.77 17.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -76.86 113.89 15.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -105.98 116.98 32.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 70.6 p -117.27 92.42 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -144.02 -174.13 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 1.5 t -92.02 8.44 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -178.82 61.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.424 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.0 OUTLIER -119.07 171.62 8.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.88 113.99 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.9 138.88 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 436' ' ' VAL . 3.8 mm? -130.68 136.9 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.5 127.29 50.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.532 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -30.24 105.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.34 3.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.499 ' CB ' ' HD3' ' A' ' 431' ' ' LYS . 6.5 t0 -103.52 164.66 11.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.05 116.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 430' ' ' LEU . 40.8 t -131.49 145.1 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.671 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -106.86 130.47 54.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.498 HG23 ' CE1' ' A' ' 412' ' ' PHE . 7.2 t -77.8 119.4 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.451 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.71 153.32 79.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.92 -171.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.79 -9.47 55.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 177.74 148.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.03 17.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.37 -22.99 61.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.83 -9.37 54.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.17 148.35 23.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -100.07 166.91 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.34 110.55 13.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.71 3.36 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.2 m95 -134.39 145.31 48.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.441 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -134.11 171.68 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.457 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -90.87 113.56 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.451 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -131.86 169.79 21.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.559 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 11.1 p -132.26 145.32 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 160.42 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.39 -42.52 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -39.15 88.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.559 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 82.4 m-20 -64.23 -31.71 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.671 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 -51.73 -47.44 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -57.03 -25.53 58.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.499 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -89.75 17.24 6.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.8 OUTLIER -45.82 -22.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 4.8 tttt -58.59 -30.57 67.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.86 51.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -30.48 67.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.504 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 3.5 mt-10 -55.67 -17.56 6.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -100.17 8.16 44.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 5.7 p -130.78 8.4 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.504 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -58.27 154.93 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -164.02 175.5 40.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.12 156.44 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -160.79 152.59 16.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.59 -35.09 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.0 OUTLIER -63.35 -27.16 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.6 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -88.1 4.03 46.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -132.97 152.19 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 36.3 t -111.78 132.84 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 110.992 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 173.88 120.17 0.57 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 78.9 p -177.95 120.2 0.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -174.05 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -151.72 173.94 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.32 172.67 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 276' ' ' THR . . . . . 0.52 ' O ' ' CG2' ' A' ' 276' ' ' THR . 4.7 t -156.28 106.29 2.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.54 9.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.42 159.14 12.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.8 tt -169.87 132.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.79 147.75 41.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.0 p -158.18 135.03 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.87 174.32 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.06 134.23 1.95 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -151.79 91.52 3.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.52 18.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.07 178.8 6.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 175.89 159.01 20.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 172.03 104.82 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -59.72 167.56 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 53.3 m -150.6 89.81 4.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -123.75 -136.04 4.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -159.19 158.37 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.796 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 10.9 t -115.54 149.68 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.8 pp -123.93 144.67 45.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.98 6.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -153.03 122.0 6.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 93.6 p -115.43 113.12 43.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 146.77 33.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 46.0 p -112.03 71.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.53 139.19 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 9.2 tp 71.82 41.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.5 137.36 48.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -134.92 -171.01 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -170.8 177.35 43.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.18 37.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 7.3 p -104.91 105.75 52.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.37 32.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.74 32.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.68 42.88 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.48 4.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 178.48 134.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -164.62 119.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.577 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 15.6 m -123.56 85.75 52.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.2 20.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 28.2 p -178.15 162.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 2.8 mttt 68.88 99.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.94 144.05 8.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 7.0 p -141.78 138.1 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -127.74 171.11 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 64.11 142.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 177.57 142.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.36 130.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.2 pt -139.19 171.79 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.88 159.86 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 89.1 p -175.48 169.24 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.3 pp -172.13 163.49 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.48 155.65 22.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -130.8 175.23 9.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -144.57 163.07 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 18.0 p -114.85 -169.31 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -117.67 174.71 6.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.85 149.0 51.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.15 13.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -112.01 -30.72 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 340' ' ' SER . 0.0 OUTLIER 53.51 -179.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' SER . . . . . 0.442 ' N ' ' CG2' ' A' ' 339' ' ' ILE . 47.3 m -150.35 157.53 43.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.54 166.72 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 12.5 t -110.19 166.46 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 54.7 m -86.2 133.61 40.39 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -75.02 -37.05 2.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.19 172.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.957 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.7 111.25 0.86 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 179.36 6.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -116.64 -179.22 3.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.376 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -128.26 -49.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . 61.1 161.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 98.6 p -153.66 166.32 33.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -165.34 172.49 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 77.8 t 63.79 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -156.96 162.98 39.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -106.55 -179.24 23.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.29 -137.44 0.17 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 59.7 m -143.75 -63.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -175.34 165.11 2.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.36 2.05 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.464 1.771 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 63.38 119.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -179.22 107.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 165.26 -162.26 35.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -131.86 155.92 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -141.96 101.58 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.488 ' N ' ' CD ' ' A' ' 366' ' ' PRO . 0.4 OUTLIER -57.48 -52.45 74.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.03 -81.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.446 1.761 . . . . 0.0 110.984 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 96.16 -81.48 0.78 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 127.34 21.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 25.6 m -107.06 -63.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.367 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -173.33 -65.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 64.35 173.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 5.2 t 69.82 125.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 177.64 134.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -169.32 174.25 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -168.97 143.36 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 33.2 p -172.42 142.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 12.7 p 174.88 179.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 34.3 t 61.55 140.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 4.6 pp -162.61 152.76 13.78 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 149.05 36.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -169.86 146.42 3.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 5.4 p -173.78 136.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 13.1 p -158.44 135.82 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.3 p -158.47 169.45 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -176.54 143.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -168.81 158.97 9.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.55 93.81 1.74 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.47 5.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -126.5 -65.42 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 18.7 m 60.25 76.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 6.3 p -172.71 120.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.91 125.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 164.78 63.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 50.9 p -130.24 161.15 31.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 3.2 p -103.39 -36.72 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 39.74 82.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -112.81 -168.31 17.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 102.48 144.1 14.05 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 42.8 t -121.3 -49.92 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -166.97 -59.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -174.6 76.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -87.41 -154.81 27.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.1 OUTLIER -116.34 140.36 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.78 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.02 -34.02 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.518 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 25.9 m-20 -75.43 156.81 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.21 158.3 34.2 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.401 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.4 Cg_endo -75.03 136.91 20.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.08 23.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.75 -23.5 16.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 409' ' ' GLY . 16.3 t80 -35.67 149.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.1 mtt -112.14 -69.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.522 ' CE1' HG21 ' A' ' 438' ' ' VAL . 19.2 p90 -154.83 179.62 8.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.456 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.2 OUTLIER -103.75 142.22 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' A' ' 438' ' ' VAL . 3.1 m -124.26 164.36 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -131.33 122.15 25.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.45 153.4 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -122.19 -3.63 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.519 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -148.69 170.12 18.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.27 101.66 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.603 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -110.07 112.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.52 112.7 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.603 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -109.06 116.2 31.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.1 p -118.77 92.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.479 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 43.7 t0 -141.62 176.87 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.6 t -72.8 -3.33 24.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -175.58 56.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 424' ' ' ASP . 3.3 mm-40 -101.78 168.56 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.1 tp -118.24 113.86 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . 0.496 ' O ' ' CD ' ' A' ' 456' ' ' LYS . 2.9 tt0 -84.73 138.22 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.47 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -130.63 145.94 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.5 129.03 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.21 105.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 91.31 49.96 2.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.419 ' OD2' ' CD ' ' A' ' 431' ' ' LYS . 39.4 t0 -113.32 170.72 8.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 2.6 m -119.31 128.37 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.47 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 4.7 t -137.06 144.88 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.661 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.03 133.31 52.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 412' ' ' PHE . 54.2 t -82.06 117.94 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.471 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.35 151.83 75.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.75 -172.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -12.53 50.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.43 148.32 0.51 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -20.56 16.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.55 -21.54 60.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.4 -10.13 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.85 148.67 25.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 15.7 t0 -91.83 172.22 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.16 106.98 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 102.24 -7.87 54.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -122.41 135.45 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.01 168.3 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -87.47 113.18 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.471 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -133.91 175.89 20.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.559 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 8.5 p -136.77 145.31 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -80.09 159.34 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 5.1 tt0 -57.73 -37.36 73.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -44.57 95.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.559 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 35.8 m-20 -59.7 -32.2 70.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.661 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 -51.13 -48.18 61.84 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -68.8 -25.97 64.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -86.72 19.04 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -44.92 -23.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.578 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -56.86 -30.19 63.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.01 45.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -42.94 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -16.19 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 7.48 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.41 0.11 9.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -55.04 134.26 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -157.82 179.86 33.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.67 166.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 24.5 p90 -160.62 154.43 19.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.03 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 475' ' ' GLU . 1.6 tt0 -67.76 -29.5 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.2 m-20 -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.621 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -91.15 5.06 50.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.527 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -131.74 174.37 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.57 155.64 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.9 mtm-85 -89.24 140.33 29.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 43.0 t -110.28 119.2 47.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -96.73 -113.11 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 20.8 t -168.43 94.55 0.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.5 5.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -175.1 143.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 276' ' ' THR . . . -175.35 137.05 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 276' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 275' ' ' ALA . 8.0 m -161.37 107.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.53 107.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -168.84 119.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.72 170.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 73.3 t 64.0 124.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 5.2 p30 178.48 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -171.01 174.9 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.92 103.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -179.34 71.1 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.73 17.75 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -175.76 174.63 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 150.16 151.39 5.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 149.93 149.51 5.02 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . 171.91 168.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 7.1 t -163.51 144.7 7.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -99.03 -151.84 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . 0.499 ' O ' ' CG2' ' A' ' 296' ' ' THR . . . -178.96 170.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 295' ' ' ALA . 13.6 t 49.55 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.8 110.5 1.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? 77.17 103.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 31.0 p -103.69 138.08 19.43 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.92 39.12 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.803 . . . . 0.0 111.042 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 20.8 t -175.88 83.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . 0.475 ' CG ' HG23 ' A' ' 425' ' ' THR . 0.0 OUTLIER -91.81 124.39 35.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . 0.427 ' C ' ' OD1' ' A' ' 424' ' ' ASP . 0.7 OUTLIER -162.91 68.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 306' ' ' LYS . 0.2 OUTLIER -102.31 114.16 28.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 305' ' ' ARG . 1.4 mmmt 167.18 164.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 150.24 161.28 9.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.28 27.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.68 36.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.428 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 7.2 p -104.89 105.69 52.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.76 20.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 145.68 31.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.03 37.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 62.27 5.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -110.98 -60.61 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.08 128.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 318' ' ' PRO . 2.6 m -138.3 130.93 16.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 317' ' ' THR . 18.3 Cg_endo -74.99 176.65 9.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 44.7 m -134.51 -73.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -161.47 140.81 10.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.81 -71.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 9.1 p -166.81 155.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 140.46 29.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.16 166.41 24.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 65.2 123.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.17 159.33 17.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.61 137.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.66 167.51 11.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 48.3 p -136.76 122.61 20.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 2.7 tt -174.03 67.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 331' ' ' PHE . 3.5 p90 -112.47 153.55 27.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -161.16 143.67 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -108.04 115.73 30.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.0 t -167.35 137.06 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.42 94.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 336' ' ' VAL . 7.1 p -126.06 100.35 30.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.05 17.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.453 1.765 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.5 126.9 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 5.4 tp -174.02 113.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 90.6 p -98.89 134.1 42.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 28.3 m -124.25 165.72 20.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 11.5 t -166.73 156.35 11.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' THR . . . . . 0.434 ' O ' ' CG2' ' A' ' 343' ' ' THR . 9.0 t -162.43 92.94 1.27 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.12 34.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -178.53 125.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -164.1 114.8 0.96 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.79 3.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -157.24 149.38 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -169.95 116.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -164.27 148.2 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.26 142.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -174.72 118.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 8.5 p -172.94 158.69 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -125.09 163.91 21.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -128.46 -162.59 11.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -174.14 -85.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 8.8 t -43.48 151.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 64.37 92.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.23 25.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -115.92 167.88 10.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -127.05 159.8 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -129.91 -171.48 12.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -141.91 169.33 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.41 166.89 21.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -167.86 120.83 0.74 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.12 6.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 134.09 137.52 3.83 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.53 113.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 3.9 m -149.65 152.77 35.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.383 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -121.02 -63.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 61.92 114.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.81 134.66 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.94 126.74 9.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -125.61 169.68 12.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -135.92 -60.74 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 3.9 m 63.29 111.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 17.8 p -174.73 127.38 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 23.3 p -146.28 -72.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.7 65.84 0.63 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 167.68 26.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -167.52 36.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 37.5 t -85.95 149.69 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.1 m -136.94 39.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 6.1 t -88.75 146.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.01 96.44 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 19.4 p -94.93 -169.83 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 387' ' ' PHE . 32.5 p90 -165.3 93.14 0.89 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.02 21.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -171.82 96.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 4.5 m -110.64 148.07 32.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.33 104.09 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -100.53 167.11 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 130.95 149.02 6.4 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.8 t -137.87 -49.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.439 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.5 t 62.65 128.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -150.98 153.16 34.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -164.54 90.52 0.1 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -93.07 140.77 15.22 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 93.0 p 51.54 177.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -152.27 173.24 31.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -140.16 147.83 40.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 123.76 -177.61 16.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.632 ' H ' ' NE ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -82.23 -171.58 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.333 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 -41.83 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -111.49 154.2 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.76 159.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.405 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.98 133.86 17.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.87 28.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.72 -22.84 15.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.4 t80 -36.59 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 0.784 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.5 mtt -115.19 -72.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.578 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 20.7 p90 -159.39 173.41 16.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.2 OUTLIER -95.87 143.42 27.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -127.62 164.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -129.56 126.38 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -70.21 151.92 44.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -120.29 -3.12 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.516 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.0 m-70 -145.94 170.86 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.555 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.31 105.82 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -113.27 117.15 31.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 7.1 m -86.56 113.01 22.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.595 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -106.34 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 45.2 p -115.14 90.78 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 304' ' ' LEU . 38.4 t70 -145.08 176.59 9.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' THR . . . . . 0.475 HG23 ' CG ' ' A' ' 303' ' ' GLN . 15.2 t -85.76 13.49 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 176.84 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.445 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.2 OUTLIER -120.47 172.4 7.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.19 113.14 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.93 123.28 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 473' ' ' PHE . 4.5 mm? -112.06 149.12 32.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.6 131.39 46.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.333 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.0 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.27 49.47 2.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -111.45 170.24 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.6 m -119.27 123.39 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 430' ' ' LEU . 2.3 t -135.66 142.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.59 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -106.11 132.34 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 412' ' ' PHE . 69.7 t -82.0 115.94 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -125.54 152.11 71.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.22 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -25.18 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -167.25 148.84 5.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.3 Cg_endo -75.02 -18.07 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -19.35 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -94.07 -6.52 44.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.01 150.11 21.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 24.0 t0 -98.47 171.05 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -83.38 108.5 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.48 -8.37 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.597 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -123.46 135.48 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -122.73 170.9 9.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.7 ttm -86.68 113.19 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -132.54 172.28 21.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.505 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.3 p -136.17 144.99 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 109.268 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -76.43 160.76 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.26 -41.54 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -43.69 98.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.505 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 27.5 m-20 -59.78 -34.13 72.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.59 ' CE3' HD13 ' A' ' 437' ' ' LEU . 5.2 t90 -52.7 -43.14 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 461' ' ' ASN . 1.1 m120 -53.82 -26.59 24.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 39.8 mm-40 -96.37 19.5 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -44.74 -22.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.546 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 11.9 tttm -57.14 -29.67 63.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -149.35 52.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -32.08 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -18.4 7.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -106.04 7.7 31.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.8 7.88 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -61.61 152.19 31.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 453' ' ' MET . . . -161.67 -179.58 36.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -129.48 158.95 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.24 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.435 ' CB ' HD21 ' A' ' 430' ' ' LEU . 16.4 p90 -164.33 157.02 14.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.597 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 118.1 5.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.81 -31.74 70.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.8 OUTLIER -65.93 -30.94 71.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.605 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -84.01 3.74 33.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.564 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -131.0 176.92 7.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -132.2 144.68 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.578 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.0 mtt180 -78.65 139.47 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 40.0 t -114.01 117.41 43.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 110.968 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 72.85 61.7 3.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 26.0 t -169.06 128.56 0.96 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -146.17 177.87 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.67 174.29 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 276' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 37.4 p -146.0 144.29 21.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -74.97 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.59 167.49 22.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.5 tp -142.68 137.18 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -119.01 170.96 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.7 p -144.22 166.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -148.05 174.65 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -141.7 178.11 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.19 146.55 37.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -171.01 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -138.59 149.02 61.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.77 2.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -148.18 178.98 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -133.39 -167.58 11.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -155.18 -155.66 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -157.28 -178.86 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 7.7 t -148.14 145.76 21.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.04 -169.61 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -125.46 -148.69 7.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -165.21 154.42 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 20.1 p -118.76 -172.71 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 3.2 pp -151.11 127.82 5.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -171.56 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 170.85 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 5.2 m -121.04 136.73 25.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.939 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.0 42.87 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.777 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 2.1 m -125.28 110.4 13.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.8 159.85 14.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 69.43 104.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -103.18 151.54 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.79 166.26 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -171.17 149.91 12.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.64 33.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.1 104.53 50.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.11 32.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 155.67 43.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.575 1.829 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.64 37.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.791 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 65.55 6.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -154.12 93.25 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 60.81 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.572 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 3.4 m -45.98 117.33 3.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 155.3 42.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 49.4 m -149.61 164.15 35.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.75 102.63 14.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.01 167.58 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 69.0 t 62.82 122.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -147.55 155.76 42.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -163.33 163.36 25.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.46 129.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -179.68 109.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 14.4 tt -170.11 165.52 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.4 tt -143.87 151.03 39.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 87.8 p -116.44 170.0 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.61 172.06 16.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -165.53 175.38 9.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -176.54 165.96 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 176.82 170.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.3 t -157.14 158.88 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -151.02 -179.38 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 36.0 m -139.56 149.63 60.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.7 148.36 27.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.7 127.13 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 75.3 m -105.25 -177.2 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 8.4 p -128.28 159.92 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 42.4 p -75.27 -177.11 3.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.08 137.91 12.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.48 37.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.08 156.99 21.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.56 159.85 29.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.93 11.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.035 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -168.62 -177.09 2.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 69.07 167.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . 70.96 73.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 17.0 t 174.94 84.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -123.39 108.5 12.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.237 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 24.1 t 63.02 143.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -91.27 -62.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 111.61 168.8 18.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -88.01 91.83 1.76 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 12.0 p -138.61 117.52 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.408 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . 0.542 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 2.1 tp60 -58.21 -49.23 94.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 358' ' ' GLN . 18.3 Cg_endo -75.01 -70.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -40.61 146.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -120.35 -173.72 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -82.12 -74.23 1.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 65.01 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -136.11 162.89 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.38 118.64 26.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -113.39 -150.21 10.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.34 140.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.74 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 1.8 m -132.04 118.99 20.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -65.21 -67.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 67.22 144.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.72 131.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -173.16 145.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -164.05 172.31 13.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -176.61 174.28 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.92 165.32 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 3.6 t -165.54 139.88 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 57.7 p 177.78 129.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.027 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.46 89.34 0.29 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.97 30.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -169.25 120.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 9.9 p -174.18 147.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.6 134.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 10.3 p -170.84 143.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -163.84 117.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 43.3 m -151.39 145.86 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -171.51 94.19 0.42 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.19 37.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -140.63 97.46 3.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.8 t -149.82 134.75 17.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 10.9 p -167.82 119.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.68 164.44 30.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 139.4 91.46 0.22 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 31.9 p -103.3 87.24 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 110.34 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 11.1 p -163.85 157.31 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -171.64 -60.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 97.18 -117.45 5.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 82.91 155.58 18.78 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 21.8 m -88.28 -58.93 2.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 164.87 122.44 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 59.7 157.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -135.41 -172.47 12.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.534 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -78.67 179.28 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.04 -39.17 3.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.469 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 7.3 m-20 -111.15 154.69 23.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.67 160.33 56.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.68 19.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.63 29.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.0 -24.22 9.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.9 t80 -36.23 154.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.24 -67.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 38.1 p90 -161.43 177.78 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.3 OUTLIER -97.92 151.0 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.437 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -132.72 166.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -134.07 118.97 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.414 ' HA ' ' CG2' ' A' ' 478' ' ' THR . . . -63.97 157.36 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -124.8 -3.41 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.542 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 83.4 m-70 -144.97 170.81 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.604 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 13.7 t70 -109.37 102.29 11.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 2.0 t80 -115.81 108.55 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.6 112.88 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.607 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -112.81 114.98 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 15.3 p -121.22 93.7 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 427' ' ' GLU . 26.2 t0 -141.2 -178.19 5.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -77.51 -5.06 48.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -164.71 43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.481 ' CA ' ' OE1' ' A' ' 427' ' ' GLU . 0.0 OUTLIER -97.67 165.92 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.43 113.25 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -76.44 137.16 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.478 ' CD1' HG23 ' A' ' 436' ' ' VAL . 3.9 mm? -130.38 142.79 50.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.469 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.36 132.37 53.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.79 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.11 47.13 1.92 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.473 ' OD2' ' CD1' ' A' ' 430' ' ' LEU . 23.9 t70 -109.1 166.89 10.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.4 122.74 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' A' ' 430' ' ' LEU . 2.6 t -134.58 146.2 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.564 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -106.43 132.46 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.453 HG23 ' CE1' ' A' ' 412' ' ' PHE . 20.4 t -81.82 113.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.463 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.91 153.06 63.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.93 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 111.021 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.0 -34.54 32.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -154.26 144.55 15.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.91 18.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.15 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -92.96 -16.91 24.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -71.96 144.66 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -95.34 171.2 8.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 99.4 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.49 -3.44 34.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.59 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 1.3 m95 -124.22 146.46 48.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.01 169.67 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -87.71 112.12 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -132.23 165.75 23.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.514 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.2 p -129.89 143.82 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.281 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.41 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 2.1 mtmp? -76.98 159.77 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.14 -40.57 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.514 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 60.4 m-20 -65.07 -32.4 74.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.564 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -50.74 -48.48 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -54.2 -25.36 22.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.551 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -91.22 16.92 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 466' ' ' LEU . 0.0 OUTLIER -45.32 -21.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.462 ' N ' ' C ' ' A' ' 462' ' ' GLN . 3.5 tttt -57.98 -35.0 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.84 53.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.6 OUTLIER -71.84 -30.94 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.4 OUTLIER -54.6 -20.91 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.01 7.59 44.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 11.18 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 108.283 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 1.4 mtt180 -61.08 156.44 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -165.23 179.01 39.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -126.97 162.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.475 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 19.2 p90 -163.1 155.06 15.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 119.38 5.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.04 -35.95 79.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -63.57 -26.17 68.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -87.94 1.55 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -132.17 177.67 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 145.46 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -77.81 141.18 39.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 77.7 t -112.69 116.77 47.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 112.91 130.59 5.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.61 108.34 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.997 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.35 171.16 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -166.44 153.33 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.04 110.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -163.22 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.61 142.83 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.03 -172.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 174.08 149.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 3.9 p -166.2 132.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -142.09 165.41 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.69 179.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.3 117.54 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -163.89 110.98 0.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . 179.78 170.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -179.83 -178.77 48.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -176.24 -177.07 44.96 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.04 177.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 10.0 t -172.2 110.51 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.71 2.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -173.25 174.28 45.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -176.8 174.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 13.9 t -171.91 172.83 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.6 116.43 0.36 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 299' ' ' LYS . 18.3 Cg_endo -74.99 -76.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 298' ' ' PRO . 0.0 OUTLIER 81.87 106.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 57.0 p -120.8 108.96 36.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 157.16 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.53 -53.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . 0.444 ' HG3' ' CG2' ' A' ' 425' ' ' THR . 3.2 tt0 -59.65 121.98 12.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . 0.469 ' O ' ' OD2' ' A' ' 424' ' ' ASP . 13.7 tp -172.67 84.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -93.28 117.48 30.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 175.92 174.39 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 152.15 155.14 6.91 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 145.43 31.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.79 38.26 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 476' ' ' ASN . 14.6 p -114.25 104.67 54.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.63 29.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 69.67 5.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.46 109.18 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.01 45.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 317' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 318' ' ' PRO . 0.7 OUTLIER -50.09 -51.29 63.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.45 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 317' ' ' THR . 18.3 Cg_endo -75.01 -174.2 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 6.9 t 66.05 120.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.79 -76.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . 0.472 ' O ' ' CG2' ' A' ' 322' ' ' VAL . 2.3 mt-10 179.42 175.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 321' ' ' GLU . 75.8 t -156.91 146.68 11.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -168.52 -175.1 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.14 121.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.37 121.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.26 113.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.1 pt -104.03 162.27 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.02 162.28 2.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.55 148.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.0 133.02 16.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -118.05 173.54 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.21 159.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -149.92 161.5 42.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.5 t -167.95 154.84 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -135.01 148.72 50.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 12.2 t -131.99 127.99 21.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.98 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -158.34 158.47 34.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.95 121.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.57 161.42 28.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.057 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 8.9 p -165.89 152.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 9.0 t -168.39 163.08 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.47 145.64 11.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 19.6 p 176.14 144.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -146.34 142.48 17.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -171.23 161.58 6.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.08 171.62 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -170.84 176.63 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.318 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.09 168.26 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.49 165.12 37.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.312 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 79.0 t -136.8 147.97 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -157.54 134.0 9.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -114.76 83.37 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -172.95 -139.55 2.89 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 8.7 t -41.93 134.82 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -52.43 150.03 9.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -172.23 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.428 1.752 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -175.68 52.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -135.68 95.23 3.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -141.07 105.94 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -170.71 152.25 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -142.28 -62.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.92 76.7 0.48 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -179.5 5.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 369' ' ' THR . . . 153.68 -121.35 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.098 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 369' ' ' THR . 54.0 mt-10 67.82 -64.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 367' ' ' GLY . 70.6 p 41.45 -163.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . 179.24 164.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -176.5 139.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.0 m -172.63 173.25 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.35 166.56 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -153.93 172.32 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -173.54 158.49 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 88.4 p -171.62 161.36 6.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 2.6 t -177.5 128.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.52 143.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.8 90.51 0.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -147.66 134.48 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 46.4 t -129.97 144.12 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.26 150.58 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 7.7 p -165.95 147.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -165.07 165.32 20.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 20.3 m 63.92 153.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -161.56 99.16 1.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -172.18 106.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 17.2 m -152.96 117.52 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 32.6 m -91.45 143.1 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -146.08 144.31 29.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -72.71 171.53 49.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 37.2 m -100.92 117.14 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.349 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.5 82.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.73 -60.71 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 112.42 -64.66 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 64.74 -134.93 38.04 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.32 78.29 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -88.62 -133.89 4.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -165.69 98.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.29 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -168.06 -177.03 39.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.407 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -73.95 -179.81 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 110.331 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.33 -38.13 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.424 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 6.1 m-20 -114.74 155.44 26.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.99 161.22 53.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.5 20.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.25 27.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.794 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.15 -22.82 17.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.5 t80 -35.82 147.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 438' ' ' VAL . 11.2 mtt -106.28 -69.36 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 438' ' ' VAL . 36.7 p90 -160.08 176.51 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.467 ' HE3' ' CD2' ' A' ' 437' ' ' LEU . 0.2 OUTLIER -91.23 145.24 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.442 ' CG2' ' HB ' ' A' ' 436' ' ' VAL . 4.0 m -132.71 161.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 481' ' ' VAL . 2.3 tp60 -134.66 126.53 29.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.56 155.3 39.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.04 -1.92 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 90.0 m-70 -148.35 170.15 18.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 419' ' ' ASP . 9.8 p-10 -108.66 102.04 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.622 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -113.83 115.87 28.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -82.62 115.01 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -110.86 117.07 32.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 39.1 p -118.79 94.2 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.469 ' OD2' ' O ' ' A' ' 304' ' ' LEU . 0.5 OUTLIER -141.61 -175.64 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' THR . . . . . 0.444 ' CG2' ' HG3' ' A' ' 303' ' ' GLN . 11.1 t -77.62 -13.97 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.12 53.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 1.9 mm-40 -97.62 171.47 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.57 114.46 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.59 139.23 35.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.508 HD12 ' CG2' ' A' ' 436' ' ' VAL . 4.5 mm? -130.22 142.91 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' CE ' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -123.76 129.91 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.25 99.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.41 49.82 1.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.45 ' OD2' ' CE ' ' A' ' 431' ' ' LYS . 6.9 t0 -112.7 168.63 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 1.6 m -118.57 125.37 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.508 ' CG2' HD12 ' A' ' 430' ' ' LEU . 90.2 t -136.75 146.17 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.488 ' HG ' ' CG1' ' A' ' 455' ' ' VAL . 0.1 OUTLIER -110.57 127.21 55.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.55 HG21 ' CE1' ' A' ' 412' ' ' PHE . 38.3 t -74.42 120.97 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.56 153.24 80.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.22 -173.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.57 -33.04 42.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -158.45 147.45 14.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -22.57 14.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.71 -16.66 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.97 -14.49 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.41 149.35 25.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -99.04 172.56 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.64 113.93 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.43 -10.37 63.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.581 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 4.1 m95 -117.82 149.75 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.431 ' CD2' ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -140.38 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.5 OUTLIER -90.69 112.83 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -136.69 159.03 24.39 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.551 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 4.1 p -121.89 142.42 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.71 . . . . 0.0 109.303 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.452 ' CG ' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -73.5 165.97 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 2.4 tt0 -61.21 -43.28 99.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -41.59 78.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.551 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 34.0 m-20 -67.13 -31.13 71.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.452 ' CD2' HD11 ' A' ' 437' ' ' LEU . 3.7 t90 -50.41 -48.01 56.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 107.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -57.22 -25.26 58.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.468 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -87.54 17.46 4.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.456 ' HA ' ' HB3' ' A' ' 466' ' ' LEU . 4.1 t60 -43.13 -24.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.468 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.7 OUTLIER -59.79 -46.34 89.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -139.02 42.4 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -69.59 -29.58 67.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.01 -19.48 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -103.56 7.17 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 4.18 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 156.47 27.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -161.27 177.35 37.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -112.88 157.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -163.99 152.3 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.11 -30.95 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 310' ' ' VAL . 0.8 OUTLIER -67.55 -26.65 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.606 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -88.78 3.91 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.563 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.7 p -131.06 -179.98 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -135.93 158.5 44.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.449 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.3 mtm180 -84.57 139.72 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 415' ' ' GLN . 95.9 t -112.52 116.06 48.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -105.93 -103.86 2.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.21 117.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.971 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -154.58 -178.66 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -158.9 -178.77 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.9 t -171.76 118.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -166.21 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.47 147.19 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.7 pp -118.42 149.34 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 136.0 23.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 13.0 p -123.69 158.43 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.56 178.97 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -163.56 -176.08 4.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.68 137.94 5.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.43 137.33 11.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -166.78 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -165.3 177.84 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -159.12 -175.54 30.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -160.83 -163.03 13.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -171.36 162.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 1.1 m -141.58 133.01 13.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -74.96 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -151.7 -167.91 15.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -161.67 118.96 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 6.3 p -87.5 -178.88 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.37 98.32 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 299' ' ' LYS . 18.3 Cg_endo -75.05 -70.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.526 1.803 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 298' ' ' PRO . 7.2 tttt 86.89 135.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 59.1 p -121.23 111.56 33.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 149.3 36.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 3.2 m -107.74 95.2 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -98.55 153.29 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 77.39 64.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -93.66 151.05 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.7 158.39 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -140.8 -176.0 15.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.09 40.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.91 38.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 14.7 p -106.53 105.84 55.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.6 26.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.03 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.26 27.64 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.76 32.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.7 5.24 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -62.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 7.4 m80 65.14 170.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 3.6 m 59.2 74.69 0.56 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.88 4.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 10.7 t -129.76 142.82 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -163.48 178.76 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.18 171.87 9.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 2.8 p -156.36 150.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.46 119.87 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -145.62 163.47 34.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.17 169.66 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 178.55 133.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 2.4 tt -171.17 150.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 109.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 2.8 tt -179.56 132.13 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.9 t -148.76 162.43 39.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.6 pp -175.02 149.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -168.27 166.19 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.54 173.28 5.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.69 158.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 11.2 t -170.6 155.18 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.82 179.09 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 10.7 p -174.26 106.8 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -175.31 153.45 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 339' ' ' ILE . 2.8 tp -168.63 109.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 90.9 p -120.88 123.23 42.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.57 167.26 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 10.0 t -168.71 162.02 11.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.02 139.74 14.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.435 1.755 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 97.0 p -160.57 163.34 32.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.7 123.97 13.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.87 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -139.57 157.09 46.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.44 164.09 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -156.76 172.64 18.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.17 172.03 4.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.45 149.27 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.22 172.19 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 64.63 138.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -137.47 -115.77 1.42 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 146.42 71.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 72.6 p 43.23 -163.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.68 92.76 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 155.88 42.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -97.37 163.76 12.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -134.34 141.04 46.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -108.22 178.78 21.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -150.44 155.21 39.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 0.744 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.17 165.89 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -167.8 94.15 0.64 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.78 25.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -154.69 107.06 0.31 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.64 135.01 36.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.734 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 17.4 m -154.56 133.66 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -121.3 165.77 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -140.69 121.9 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.1 128.88 46.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 178.55 109.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -145.94 154.91 42.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -171.22 131.96 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 7.6 t -148.54 148.73 30.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 13.7 t -168.06 154.49 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 8.5 t -174.29 124.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 2.1 tt -147.85 97.23 3.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -149.7 140.34 22.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.86 154.06 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.39 147.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.5 p -155.83 157.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.38 149.26 51.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 93.8 m -145.01 135.58 24.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' A' ' 387' ' ' PHE . 9.6 p90 -114.88 122.52 33.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 172.9 15.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -119.44 155.27 32.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 14.9 t -108.83 140.84 41.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.86 106.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -82.94 120.65 25.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -110.72 -75.45 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 76.5 p -146.87 130.57 16.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 9.1 p -96.11 -13.0 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -177.6 114.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 172.9 -154.58 21.1 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 150.11 -166.88 30.03 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.55 -55.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 152.14 159.29 8.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -85.13 -63.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . 0.407 ' CA ' ' OD1' ' A' ' 461' ' ' ASN . . . 65.89 163.63 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.465 ' NE ' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -37.7 148.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.7 -16.2 25.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.465 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . 2.1 m-20 -99.13 148.65 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 159.97 28.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.99 134.57 17.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.62 29.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.32 -19.64 34.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.5 t80 -37.04 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.29 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 21.9 p90 -158.6 -179.72 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.84 143.51 30.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.43 ' CG2' ' HB ' ' A' ' 436' ' ' VAL . 2.6 m -124.23 166.85 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -134.26 121.82 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.01 154.07 38.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -124.41 -1.11 8.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.499 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.8 m-70 -148.75 169.78 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 t70 -107.81 104.38 13.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -114.22 109.87 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.99 113.82 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -106.5 117.77 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 6.1 p -116.34 92.24 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -143.56 -174.61 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -91.6 7.7 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -178.63 59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.442 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.1 OUTLIER -116.51 171.69 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.73 113.28 18.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.87 135.75 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.473 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -127.58 146.34 50.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.29 125.66 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -29.99 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.91 50.83 1.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.405 ' HB2' ' HD2' ' A' ' 431' ' ' LYS . 3.7 t0 -113.3 166.91 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.52 121.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.473 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 9.9 t -131.46 147.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.558 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -109.12 124.27 50.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.464 HG23 ' CE1' ' A' ' 412' ' ' PHE . 11.7 t -74.32 117.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.457 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -127.4 151.82 75.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.041 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.95 -173.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -83.17 -14.26 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.402 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -179.24 149.77 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . 0.402 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.1 Cg_endo -75.04 -21.65 15.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.83 -20.47 61.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.96 -11.22 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.75 149.15 24.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -96.32 168.21 10.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.72 109.81 16.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.2 -2.5 56.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.9 OUTLIER -129.89 143.04 50.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.412 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -130.09 171.22 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.412 ' HE2' ' N ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -90.45 113.68 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -135.53 165.6 24.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.529 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.0 p -125.5 143.62 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -77.87 160.44 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.22 -43.64 87.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.362 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -38.77 83.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.529 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 81.0 m-20 -63.31 -33.8 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.558 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.0 t90 -53.5 -48.47 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . 0.407 ' OD1' ' CA ' ' A' ' 402' ' ' GLY . 31.3 m-80 -53.94 -26.14 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 6.6 mm-40 -108.53 19.84 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 407' ' ' PRO . 5.4 t60 -46.24 -21.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 5.7 ttpt -57.82 -30.37 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.0 42.5 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.32 -18.5 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -115.38 5.86 14.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 22.3 m -109.94 -20.53 12.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 128.79 28.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.412 ' N ' ' HE2' ' A' ' 453' ' ' MET . . . -149.6 179.82 26.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.79 153.62 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -161.74 151.42 13.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 120.3 6.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.59 81.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 1.1 m-20 -61.34 -24.88 66.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.592 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -89.06 2.52 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.582 HG21 ' CD1' ' A' ' 477' ' ' PHE . 2.4 p -132.38 178.18 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -133.15 147.43 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.53 138.19 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 73.9 t -109.04 122.72 39.0 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 144.66 131.29 2.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.07 109.23 0.2 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -157.38 -173.22 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -165.42 -179.01 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 276' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 276' ' ' THR . 8.0 t -161.38 107.41 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.75 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.19 158.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -170.16 142.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.45 168.8 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.9 p -174.67 144.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -151.29 162.17 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -177.97 162.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -154.44 143.66 15.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.86 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -176.21 97.19 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.58 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.433 1.754 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . 177.4 173.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.33 -179.08 48.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 177.15 172.72 42.02 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . 178.94 132.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 p -113.8 129.78 24.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 157.86 146.71 4.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -177.05 129.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 8.7 p -105.43 -179.09 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 178.73 83.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.03 6.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.8 140.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 61.4 p -119.48 106.55 42.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 154.52 42.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.78 34.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.35 161.19 21.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 17.0 mt 67.09 86.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.03 151.21 22.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.68 161.48 37.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -152.03 -171.47 19.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.41 28.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.55 37.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 476' ' ' ASN . 12.4 p -103.4 106.71 52.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 134.36 17.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.17 36.22 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.0 30.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.776 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -145.24 132.18 20.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -156.44 -65.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 14.1 p -83.42 156.6 65.7 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 1.8 t -162.9 152.47 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mptt 70.77 105.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.56 105.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 8.3 p -168.9 142.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -81.84 -177.61 6.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -171.21 175.6 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.39 155.33 41.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.348 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -176.16 3.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 7.6 tt -156.56 170.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.218 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 7.5 mp -128.36 173.67 9.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 25.9 p -164.72 102.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.41 ' N ' ' CD2' ' A' ' 330' ' ' LEU . 2.1 mm? -85.03 162.56 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -159.79 167.66 27.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -174.84 140.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -159.68 163.34 34.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 11.8 t -173.29 171.64 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -171.88 152.39 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 336' ' ' VAL . 9.8 p -168.98 96.99 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -174.54 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.95 175.71 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 339' ' ' ILE . 0.4 OUTLIER 79.95 114.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 12.3 p -110.9 179.18 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.02 174.21 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 10.4 t -124.43 136.51 54.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 9.5 t -69.14 145.3 96.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -74.99 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 12.3 m -146.61 172.32 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 66.08 92.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.038 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . 75.01 159.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.89 175.52 6.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -177.75 -173.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 1.5 m -55.64 140.69 40.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.22 31.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 354' ' ' ALA . 54.6 t 60.56 163.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . 0.436 ' N ' ' CG1' ' A' ' 353' ' ' VAL . . . -136.71 152.28 50.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 176.8 -173.6 46.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -167.72 160.69 34.37 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 10.9 p -143.88 -146.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . 0.448 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 1.1 mt-30 168.06 -54.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 358' ' ' GLN . 18.4 Cg_endo -74.98 169.17 23.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -143.58 -68.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -162.22 170.41 19.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 176.18 -179.79 47.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 65.44 123.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -172.42 124.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -175.07 100.64 0.26 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.26 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -175.13 176.07 47.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -154.83 -48.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 72.1 p 42.5 87.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -53.84 175.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -151.32 158.17 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.2 m -157.88 170.11 23.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 110.053 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -130.45 -60.58 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . 60.07 100.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -104.38 169.04 8.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.44 147.88 25.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.967 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 21.6 m -93.57 168.25 11.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.001 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 10.5 p -136.17 -63.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.45 92.55 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 381' ' ' ALA . 18.2 Cg_endo -75.04 -33.44 4.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 380' ' ' PRO . . . 60.09 115.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.42 138.17 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 383' ' ' VAL . 10.1 m -106.7 65.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 13.4 m 41.5 -161.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.48 171.27 13.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 8.9 t -103.46 171.99 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 177.53 100.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.958 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.04 17.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -127.76 173.28 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 9.6 t -151.91 170.66 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.397 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 13.4 m -115.69 147.15 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.21 -55.86 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 66.38 178.55 9.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 54.7 m 63.48 74.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 110.37 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 395' ' ' VAL . 13.6 m -71.37 73.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -176.34 124.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -52.73 154.81 5.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -110.61 -163.23 18.6 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 3.6 m -130.87 90.29 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 401' ' ' ALA . . . -171.62 -109.63 0.23 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 400' ' ' GLY . . . 83.65 -65.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.754 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 145.5 -170.24 26.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.573 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -62.72 -171.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -124.44 -42.27 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -116.28 155.88 27.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.61 160.13 48.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.402 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.97 134.6 18.07 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.29 21.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 91.68 -19.8 45.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.33 153.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.438 ' HE1' ' CG1' ' A' ' 438' ' ' VAL . 12.7 mtt -112.71 -73.98 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 13.5 p90 -160.22 179.92 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.469 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.0 OUTLIER -98.04 144.23 27.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 436' ' ' VAL . 5.8 m -125.02 167.11 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 31.2 tp60 -131.07 122.64 27.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' A' ' 430' ' ' LEU . . . -70.41 151.65 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -120.73 -4.4 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.526 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.3 m-70 -149.46 169.36 21.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.554 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 9.9 p-10 -103.73 102.56 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -108.35 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 26.9 m -74.96 112.7 11.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.09 117.15 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -119.32 93.06 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.434 ' HB3' ' OE1' ' A' ' 427' ' ' GLU . 9.5 t70 -139.58 -176.9 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.2 t -74.41 -9.77 58.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -167.89 52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 427' ' ' GLU . 0.0 OUTLIER -98.19 162.3 13.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.4 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -116.74 114.87 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.93 135.45 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.03 144.09 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -121.91 135.47 54.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.81 108.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 90.59 43.49 4.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.512 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 26.9 t0 -109.3 170.23 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -118.49 127.55 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 456' ' ' LYS . 3.0 t -136.68 139.0 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.58 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -100.91 133.74 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.438 ' CG1' ' HE1' ' A' ' 411' ' ' MET . 13.4 t -84.82 112.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.457 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -120.23 153.74 55.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.88 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.564 1.823 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.47 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -83.63 -9.4 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.68 148.37 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.31 19.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.92 -27.81 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -9.27 58.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.3 tt0 -80.35 149.3 30.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -100.34 173.94 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.95 93.4 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.17 -8.05 28.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.591 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -120.27 132.75 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.72 168.43 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.427 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.0 OUTLIER -87.13 113.63 23.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -138.55 171.84 23.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.57 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.0 p -138.15 145.77 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.737 . . . . 0.0 109.261 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.512 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 7.7 mtmt -71.54 163.76 27.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.57 -46.3 88.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -35.79 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.57 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 89.2 m-20 -67.93 -33.2 74.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.58 ' CE3' HD12 ' A' ' 437' ' ' LEU . 3.7 t90 -51.63 -47.52 63.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -54.28 -26.23 27.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.3 mm-40 -91.28 17.15 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.73 -21.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -57.87 -30.66 66.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -146.07 56.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.08 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.89 -19.43 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -107.02 9.04 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.2 5.09 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 108.26 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 151.74 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.4 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -175.69 177.75 47.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -124.42 163.81 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 23.0 p90 -161.0 155.01 18.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 116.9 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.38 -31.0 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 310' ' ' VAL . 0.9 OUTLIER -67.47 -23.69 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.616 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -92.54 4.3 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.565 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -133.17 177.72 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -132.72 151.76 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -87.42 133.23 33.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.97 116.08 65.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 162.12 157.42 8.93 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 7.7 t -175.03 96.24 0.28 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.87 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -177.51 167.58 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -172.66 165.8 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.7 m -156.63 107.81 1.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.35 2.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . 0.451 ' O ' ' CG2' ' A' ' 279' ' ' ILE . 3.6 tt0 176.27 144.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 278' ' ' GLU . 3.6 pt -155.2 -179.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.52 161.72 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.2 p -170.48 133.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -144.96 155.9 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -154.91 -177.72 6.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.85 106.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.08 7.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -137.81 147.24 56.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -165.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -158.94 169.81 23.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -163.32 176.42 39.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -178.6 179.18 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -166.47 173.5 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 46.9 m -151.24 110.61 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.36 20.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -128.42 -159.48 10.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -171.5 75.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 296' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 297' ' ' LEU . 3.3 m -152.05 148.43 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 297' ' ' LEU . . . . . 0.537 ' N ' ' CD ' ' A' ' 298' ' ' PRO . 0.0 OUTLIER 161.59 -50.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 297' ' ' LEU . 18.4 Cg_endo -74.98 114.17 3.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.17 68.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.54 135.48 22.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.963 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.67 25.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.51 74.12 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -98.26 126.78 43.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . 0.428 ' C ' ' OD1' ' A' ' 424' ' ' ASP . 0.1 OUTLIER -177.02 97.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 306' ' ' LYS . 7.8 mtm180 -99.0 110.44 23.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 305' ' ' ARG . 1.3 mmmt 165.57 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 144.37 138.95 3.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 143.59 29.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 161.54 38.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 476' ' ' ASN . 14.8 p -117.06 104.09 51.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 152.14 40.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.91 42.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.46 35.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 111.04 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 69.51 5.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.74 -53.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -89.06 170.99 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 317' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 318' ' ' PRO . 1.9 m -127.9 138.34 32.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.361 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 318' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 317' ' ' THR . 18.4 Cg_endo -74.97 135.25 18.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.68 168.32 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.88 85.59 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -157.91 120.2 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 33.5 m -86.3 175.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.17 174.19 12.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -148.15 173.34 13.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -175.76 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -143.21 175.04 10.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -163.78 118.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -110.71 136.8 49.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 61.8 p -157.81 147.37 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.013 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.6 tp -173.66 163.89 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -169.92 171.7 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -175.03 176.66 2.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -162.33 155.99 20.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 72.5 m -153.33 135.16 14.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.448 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -179.32 3.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 5.4 p -161.42 121.07 1.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -166.62 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.757 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -175.96 159.6 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 14.8 tt -171.57 154.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 13.9 t -70.41 127.98 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 30.3 t -127.85 125.64 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 20.1 m 62.33 144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 2.9 t -171.01 73.44 0.54 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 345' ' ' SER . 18.2 Cg_endo -75.04 175.81 10.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 344' ' ' PRO . 4.0 p 163.56 52.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 347' ' ' PRO . 1.0 OUTLIER -70.24 -49.61 17.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 346' ' ' GLN . 18.3 Cg_endo -74.97 170.94 19.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -174.65 -66.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.45 166.35 10.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -174.22 162.39 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 39.2 p -119.15 155.68 31.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 353' ' ' VAL . 3.7 tt0 179.38 -53.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 352' ' ' GLU . 11.7 p 36.57 52.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -117.04 145.26 43.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -134.23 -172.77 12.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 119.15 140.72 6.32 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 3.0 t -148.11 -52.94 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.394 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -126.49 139.89 35.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -53.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -146.75 179.52 7.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -158.28 174.71 14.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 152.63 110.73 0.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -172.58 155.23 3.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -153.36 136.11 15.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -176.13 132.76 0.41 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 107.89 -174.0 18.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.15 167.64 21.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 7.5 m -125.58 127.3 46.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.431 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -63.01 -66.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.236 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 60.61 -177.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 13.2 m 61.86 112.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.92 150.13 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.307 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -173.13 172.36 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -168.04 177.69 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.64 120.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 25.1 t -171.46 106.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.37 162.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.011 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.536 ' N ' ' CD1' ' A' ' 379' ' ' LEU . 0.0 OUTLIER -124.33 164.42 30.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.173 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 381' ' ' ALA . 18.1 Cg_endo -75.03 -81.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 380' ' ' PRO . . . 80.41 112.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.98 158.53 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.55 121.56 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 2.4 p -80.1 143.79 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.24 174.85 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 9.6 t -131.64 162.53 30.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.444 ' O ' ' CG ' ' A' ' 387' ' ' PHE . 8.7 p90 -102.79 131.08 22.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 387' ' ' PHE . 18.2 Cg_endo -75.05 -166.39 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -114.86 -178.47 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 2.5 m -137.36 105.59 5.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.455 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 85.1 t -121.73 133.06 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -84.23 -46.46 11.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 49.52 -160.26 0.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.2 m -120.12 151.71 38.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 395' ' ' VAL . 1.4 p -171.17 115.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.37 140.55 57.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -89.82 64.52 3.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 50.82 -169.52 0.3 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.29 123.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.967 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -172.17 159.75 30.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -100.16 88.31 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 461' ' ' ASN . . . -131.76 169.61 21.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -76.3 -177.06 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -120.07 -40.66 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.437 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 1.2 m-20 -106.32 153.71 21.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.42 161.05 43.8 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.406 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.4 Cg_endo -74.99 138.7 23.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 131.8 14.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 95.58 -19.71 53.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 31.9 t80 -36.84 155.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -115.96 -68.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 14.0 p90 -163.85 176.46 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 138.57 33.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.451 HG12 ' CG2' ' A' ' 438' ' ' VAL . 3.3 m -119.31 167.25 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -135.04 124.2 24.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -68.78 152.87 44.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -122.63 -2.5 8.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.9 m-70 -144.72 169.91 17.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 19.9 p-10 -110.52 104.09 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.64 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.6 t80 -115.33 123.93 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -87.65 114.58 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.64 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -111.63 117.13 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -120.2 93.26 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 37.2 t0 -142.99 178.61 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.4 t -74.59 -13.49 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 7.1 p-10 -159.56 49.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 424' ' ' ASP . 3.5 mm-40 -96.69 170.08 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.406 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 5.0 tp -127.3 113.29 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . 0.404 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 2.2 tt0 -79.77 137.59 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -128.17 143.45 51.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.504 ' CD ' ' OD1' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -126.61 126.36 43.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.82 102.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.98 47.8 2.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.504 ' OD1' ' CD ' ' A' ' 431' ' ' LYS . 3.2 t70 -108.95 169.69 8.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.22 121.07 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.468 HG22 ' CG ' ' A' ' 456' ' ' LYS . 32.9 t -136.72 139.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.569 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -100.62 133.54 44.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.451 ' CG2' HG12 ' A' ' 414' ' ' VAL . 17.9 t -82.73 119.96 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.474 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.45 152.77 78.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.75 4.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.0 -176.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -17.32 42.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.419 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -174.02 148.0 1.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.07 -20.9 16.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.27 -18.41 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.17 -15.71 27.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.34 141.6 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -89.6 171.41 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.73 113.16 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.92 -7.91 63.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.7 m95 -118.48 149.47 41.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.472 ' CD2' ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -135.12 167.55 20.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.33 112.71 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.474 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -134.97 173.08 21.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.494 ' CG2' ' HB3' ' A' ' 459' ' ' ASP . 5.7 p -137.43 144.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.468 ' CG ' HG22 ' A' ' 436' ' ' VAL . 5.2 mtmp? -75.11 160.88 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 460' ' ' TRP . 15.2 tt0 -58.52 -41.64 85.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.236 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -47.7 83.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 37.3 m-20 -58.86 -32.91 69.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.569 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.4 t90 -52.58 -41.78 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . 0.485 ' ND2' ' N ' ' A' ' 461' ' ' ASN . 1.2 m120 -53.47 -25.82 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -92.93 18.78 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 7.6 t60 -45.35 -21.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.9 OUTLIER -58.35 -30.12 66.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -158.79 51.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 1.6 pt? -70.51 -29.88 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 4.8 tt0 -54.82 -17.9 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -102.4 6.62 40.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.6 p -129.68 8.25 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.48 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.7 OUTLIER -56.06 154.32 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -155.99 179.47 31.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.406 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.4 t -126.25 154.48 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -161.24 151.99 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 119.45 5.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 0.8 OUTLIER -69.37 -32.93 72.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.477 ' HB2' ' CG1' ' A' ' 310' ' ' VAL . 0.4 OUTLIER -66.21 -24.86 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.594 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -89.9 2.66 54.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.556 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.6 p -129.84 -179.69 5.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -82.52 136.54 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.9 135.54 19.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 89.5 p -161.85 115.3 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -152.45 173.4 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -164.97 162.78 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 22.4 p -137.22 109.73 8.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.22 20.9 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -148.93 175.81 10.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 12.7 tt -167.03 164.51 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -158.33 166.75 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 54.5 t -151.69 144.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -149.05 154.29 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -168.13 166.27 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.588 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -154.94 121.23 2.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.67 15.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.82 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.36 114.84 6.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -156.2 -172.18 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -165.55 -179.85 39.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.74 -167.18 21.82 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -137.93 150.83 47.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 63.6 p -129.58 89.1 47.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -118.6 -141.61 6.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -160.91 162.75 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 70.2 p -129.68 165.95 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.2 Cg_endo -74.93 159.78 41.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.1 p -110.73 105.4 57.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.571 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 404' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.3 pt? -119.43 -41.29 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.403 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 52.6 m-20 -112.29 154.87 25.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 160.46 56.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.635 ' HB3' HD13 ' A' ' 466' ' ' LEU . 18.5 Cg_endo -74.93 134.65 18.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.99 143.47 29.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.43 -24.52 11.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.0 t80 -36.54 147.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.428 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.2 mtt -110.05 -67.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.491 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 21.7 p90 -160.65 174.81 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.579 ' HG3' HD22 ' A' ' 437' ' ' LEU . 0.2 OUTLIER -97.03 143.91 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.55 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.1 m -125.17 168.18 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.58 125.74 27.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.739 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -68.35 156.37 37.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -124.58 -1.62 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.467 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -148.61 169.7 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 2.2 p-10 -107.62 102.46 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 1.029 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.57 108.59 16.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -75.38 113.42 12.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 1.029 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.16 115.76 29.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -121.26 94.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 11.8 t0 -140.74 -176.4 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.5 t -78.17 -1.92 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.19 42.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.772 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 0.4 OUTLIER -92.36 165.05 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 454' ' ' GLY . 8.5 tp -124.39 113.54 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.503 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.5 tt0 -77.54 133.57 38.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.085 HD11 HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -125.67 144.78 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.77 131.36 51.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.26 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.19 48.38 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.53 ' OD2' HD13 ' A' ' 430' ' ' LEU . 22.7 t0 -110.35 169.07 8.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.577 HG23 ' HB3' ' A' ' 457' ' ' GLU . 0.6 OUTLIER -118.41 126.54 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.085 HG21 HD11 ' A' ' 430' ' ' LEU . 48.6 t -137.32 142.49 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.1 OUTLIER -102.77 129.41 49.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.55 HG23 ' CG1' ' A' ' 414' ' ' VAL . 4.9 t -80.5 113.32 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.754 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -123.42 152.67 64.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.95 4.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.0 -176.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -79.25 -22.24 45.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.13 148.12 4.31 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' PRO . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 441' ' ' PHE . 18.4 Cg_endo -75.01 -23.06 14.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -20.39 61.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.229 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.63 -9.58 53.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -86.48 148.81 25.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -94.81 174.47 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 108.3 18.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.01 -2.88 58.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.728 ' C ' HD23 ' A' ' 452' ' ' LEU . 2.9 m95 -123.38 147.85 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.728 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.1 OUTLIER -134.51 169.05 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.88 113.26 25.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.754 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.47 176.51 19.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.686 HG22 ' HB2' ' A' ' 459' ' ' ASP . 14.7 p -137.91 137.8 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.85 158.6 35.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.577 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.8 tt0 -58.06 -40.65 81.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -38.75 89.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.686 ' HB2' HG22 ' A' ' 455' ' ' VAL . 61.8 m-20 -63.91 -32.45 73.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.611 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.9 t90 -51.01 -47.42 61.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -56.07 -26.89 51.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.441 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -94.9 17.18 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -45.21 -23.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -56.91 -30.23 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.33 42.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 467' ' ' GLU . 0.1 OUTLIER -58.2 -37.57 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.702 ' N ' HD23 ' A' ' 466' ' ' LEU . 6.7 tt0 -56.53 -17.49 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -109.42 7.41 24.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.09 1.08 9.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.452 HH21 HD11 ' A' ' 466' ' ' LEU . 1.5 mtt180 -58.91 150.36 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.32 179.06 36.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 153.16 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -158.91 151.05 17.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.03 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.423 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -68.71 -33.98 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.641 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.31 -28.64 69.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.801 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -89.19 3.76 50.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.801 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -130.52 174.83 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.62 144.98 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -80.68 137.71 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 414' ' ' VAL . 38.3 t -110.32 116.85 52.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 272' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' A' ' 273' ' ' PRO . 0.4 OUTLIER -163.25 136.97 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 110.027 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 273' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 272' ' ' SER . 18.4 Cg_endo -74.97 -172.07 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -144.95 -177.97 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -153.73 -177.36 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 276' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -148.49 145.79 21.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 277' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -74.99 -171.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.89 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -144.86 122.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -104.4 178.23 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.65 137.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -142.82 170.34 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.49 -177.23 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.64 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -165.66 122.16 1.02 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -166.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -153.45 125.16 3.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -167.55 177.03 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -175.68 -179.2 46.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.23 -168.66 23.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -165.75 174.61 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.353 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 292' ' ' THR . 1.4 t -162.63 111.33 1.08 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.86 8.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 294' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 295' ' ' ALA . . . -101.82 -179.97 27.78 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 295' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 294' ' ' GLY . . . 179.91 174.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 15.9 m 62.57 158.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.95 157.36 43.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.615 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.6 p -109.26 104.96 56.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.542 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.15 -39.42 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -109.66 153.68 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.57 160.91 49.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.462 ' HB3' HD13 ' A' ' 466' ' ' LEU . 18.4 Cg_endo -74.95 135.13 18.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.5 Cg_endo -74.98 143.82 29.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.55 -24.43 12.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.0 t80 -36.5 148.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 6.6 mtt -110.5 -65.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.2 p90 -163.2 178.39 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.554 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -99.79 145.36 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.654 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.5 m -125.14 167.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.1 118.79 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.661 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -62.83 152.44 36.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.42 -2.64 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.521 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -149.09 169.78 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 419' ' ' ASP . 0.1 OUTLIER -107.65 102.59 11.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.865 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.68 111.72 22.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.05 113.63 14.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.4 117.38 32.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 47.1 p -119.57 94.4 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -141.66 -178.81 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.8 t -84.8 9.01 15.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.81 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.34 170.99 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.609 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -127.23 113.83 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.635 ' C ' HD22 ' A' ' 430' ' ' LEU . 1.7 tt0 -79.68 138.55 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.98 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -129.84 145.49 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.46 135.16 52.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.25 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.39 48.23 1.72 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.551 ' OD2' HD13 ' A' ' 430' ' ' LEU . 28.7 t70 -110.15 168.84 9.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 457' ' ' GLU . 3.4 m -118.45 124.48 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.98 HG21 HD11 ' A' ' 430' ' ' LEU . 10.9 t -135.85 144.26 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.0 OUTLIER -104.03 131.92 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.654 HG23 ' CG1' ' A' ' 414' ' ' VAL . 38.0 t -83.67 113.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.05 152.67 60.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.52 4.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -59.08 -174.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -81.22 -28.21 34.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.38 148.57 9.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.99 15.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -16.7 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.92 -20.33 22.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -76.99 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 449' ' ' GLU . 5.6 t0 -99.35 170.09 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 1.3 mt-10 -79.79 108.83 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.59 1.84 58.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.846 ' C ' HD23 ' A' ' 452' ' ' LEU . 4.2 m95 -126.73 153.48 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.846 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -141.85 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.65 113.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.64 174.69 20.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.873 HG22 ' HB2' ' A' ' 459' ' ' ASP . 8.6 p -136.93 141.99 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.68 159.97 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.594 ' HB3' HG23 ' A' ' 435' ' ' VAL . 8.2 tt0 -57.98 -41.36 82.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -39.59 88.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.873 ' HB2' HG22 ' A' ' 455' ' ' VAL . 70.3 m-20 -63.65 -33.35 75.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.542 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.2 t90 -51.3 -47.54 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -57.83 -27.08 62.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.466 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -91.99 17.54 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -45.27 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.3 OUTLIER -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 47.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.508 HD21 HH21 ' A' ' 470' ' ' ARG . 0.0 OUTLIER -64.06 -35.89 82.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.493 ' N ' HD23 ' A' ' 466' ' ' LEU . 8.3 tt0 -55.22 -18.12 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -108.93 8.37 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 1.76 9.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.508 HH21 HD21 ' A' ' 466' ' ' LEU . 2.7 mtt180 -61.46 151.51 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.609 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -162.03 -179.5 36.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.81 155.07 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -160.24 152.06 16.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 120.09 5.92 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.546 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -68.17 -36.44 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.615 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.1 m-20 -61.56 -31.23 71.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.794 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -85.47 1.68 47.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.794 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -128.79 171.17 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -130.62 148.64 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.448 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.8 mtt180 -79.51 139.26 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.505 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 87.4 t -110.92 116.04 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 19.0 t -173.23 136.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.784 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.3 41.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -115.26 -179.32 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -160.76 155.16 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.2 74.19 1.02 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.04 42.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.41 145.84 49.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 280' ' ' ARG . 3.7 mm -117.34 160.67 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.409 ' N ' HG22 ' A' ' 279' ' ' ILE . 9.7 tpp180 -134.02 141.49 47.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.98 126.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -127.25 157.09 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.55 175.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -156.52 148.49 17.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -173.08 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -168.25 112.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.34 14.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.78 124.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.99 -176.91 48.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 117.6 150.38 9.09 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.23 169.27 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 292' ' ' THR . 14.0 t -170.76 64.58 0.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 293' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.0 116.77 4.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 124.43 115.69 2.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -145.35 47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.6 p -116.03 103.14 10.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 110.407 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -75.04 160.88 39.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.654 HG13 ' HB2' ' A' ' 476' ' ' ASN . 8.2 p -107.46 104.53 52.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.49 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -41.67 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.77 155.55 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.22 160.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.413 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -75.01 134.38 17.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.94 142.88 28.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.23 -22.61 18.51 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.2 t80 -36.48 152.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -113.59 -67.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 18.9 p90 -160.87 -179.78 7.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.632 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -100.04 146.12 27.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 436' ' ' VAL . 6.3 m -125.87 166.21 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.1 OUTLIER -134.24 118.72 17.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.812 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.72 151.05 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -121.16 -3.35 9.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.2 m-70 -147.75 169.7 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.635 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -107.64 103.36 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.951 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -116.2 109.71 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.2 m -76.78 114.06 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.426 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.951 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.76 115.43 28.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 423' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' A' ' 423' ' ' THR . 0.5 OUTLIER -120.6 93.82 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 11.3 t0 -140.6 -175.51 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.1 t -79.19 -4.88 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -166.76 42.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.723 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -91.85 164.94 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 10.5 tp -124.78 112.86 17.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.746 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.3 tt0 -77.56 137.57 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.908 HD11 HG21 ' A' ' 436' ' ' VAL . 4.6 mm? -130.65 143.75 50.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -125.56 129.69 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.87 104.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.73 47.02 2.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.539 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 35.5 t0 -110.25 169.86 8.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 457' ' ' GLU . 2.3 m -119.47 125.48 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.908 HG21 HD11 ' A' ' 430' ' ' LEU . 12.7 t -136.83 145.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.722 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -108.7 129.42 55.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.462 HG23 ' CG1' ' A' ' 414' ' ' VAL . 22.6 t -79.27 119.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.754 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.17 153.27 76.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.09 -177.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.77 -31.2 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.69 146.37 16.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.38 16.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.76 -25.51 63.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -14.97 45.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.0 tt0 -77.97 146.2 35.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -98.97 169.26 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.83 106.73 14.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.4 58.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -121.0 137.42 54.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.937 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.96 170.58 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.7 OUTLIER -87.9 113.03 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.754 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -129.55 175.39 19.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.722 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.5 p -136.83 139.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 0.724 . . . . 0.0 109.294 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -76.91 159.85 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.641 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -57.85 -37.31 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -42.83 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.448 ' HB2' HG22 ' A' ' 455' ' ' VAL . 1.2 m-20 -62.69 -32.26 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.267 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -51.06 -47.49 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 107.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.79 -26.35 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -89.03 16.1 7.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 13.5 t60 -45.37 -22.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 462' ' ' GLN . 30.0 pttt -58.7 -39.13 79.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -148.46 51.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -30.31 67.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.483 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 23.6 mt-10 -55.54 -17.62 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.72 7.8 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.69 10.74 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.483 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.4 mtm180 -60.63 154.28 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.427 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -161.6 -179.03 36.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -129.37 160.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.452 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.3 p90 -162.1 156.34 18.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.937 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.8 tt0 -68.07 -33.11 73.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.654 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.61 -32.24 73.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.939 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -82.38 1.81 35.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.939 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -131.12 175.55 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -129.56 154.48 47.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.522 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 11.4 mtt180 -89.67 140.74 29.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.632 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 45.3 t -112.39 116.03 49.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 111.034 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.75 116.29 0.52 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.968 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.44 2.88 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -128.26 -174.69 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -149.96 -178.06 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.5 t -155.07 133.16 6.81 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.052 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -144.66 150.18 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.8 mp -126.79 135.54 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -123.36 167.87 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.9 p -161.2 127.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -118.07 169.6 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.17 173.81 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -161.97 107.11 1.15 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -120.84 155.96 56.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -130.16 172.86 11.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -118.89 -160.41 11.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -153.68 -147.47 4.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -164.23 -176.08 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 8.8 t -143.99 144.94 28.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 293' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.4 Cg_endo -75.04 -169.04 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.9 -160.31 10.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -166.55 155.16 10.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.0 m -127.98 133.11 49.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.97 39.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 476' ' ' ASN . 11.3 p -115.04 103.81 54.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.21 -38.72 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -115.97 154.75 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 160.38 59.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 134.39 17.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.565 1.824 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.03 144.5 30.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.49 -22.6 12.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.8 t80 -36.82 151.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -112.45 -69.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 21.6 p90 -160.56 175.87 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.556 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -95.72 145.8 25.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.663 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.3 m -128.62 163.75 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -132.23 120.12 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.727 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -64.41 156.27 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.56 0.02 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 84.1 m-70 -146.2 169.79 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.611 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -110.17 101.96 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.856 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -114.74 112.22 22.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.36 112.78 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.856 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -107.46 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 43.3 p -119.39 93.94 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -141.99 -178.01 5.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.6 t -79.83 -3.49 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.4 OUTLIER -170.53 46.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.86 171.17 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 7.8 tp -125.42 117.4 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.684 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.1 tt0 -84.09 138.34 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.057 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -130.49 145.66 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -127.83 129.14 46.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.46 98.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.66 46.56 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.543 ' OD2' HD13 ' A' ' 430' ' ' LEU . 33.3 t70 -110.77 163.67 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.791 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.1 m -113.52 126.53 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.057 HG21 HD11 ' A' ' 430' ' ' LEU . 54.3 t -137.33 145.17 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.679 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -107.42 126.35 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.663 HG23 ' CG1' ' A' ' 414' ' ' VAL . 42.2 t -76.72 118.67 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.777 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.63 152.59 74.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.67 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.58 -172.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.466 ' O ' ' ND2' ' A' ' 443' ' ' ASN . 0.0 OUTLIER -82.5 -26.62 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 443' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 442' ' ' GLN . 0.9 OUTLIER -166.95 147.66 5.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.06 19.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.04 -13.41 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -97.18 -22.27 16.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -75.02 145.13 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -95.06 168.63 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 111.61 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.28 -11.87 63.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.9 m95 -116.06 149.35 39.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -139.14 172.14 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.74 113.13 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.777 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.0 175.61 19.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.548 HG13 ' HG ' ' A' ' 437' ' ' LEU . 9.1 p -137.94 136.48 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -73.05 160.14 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.586 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.7 tt0 -58.17 -37.88 75.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -45.07 88.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 8.2 m-20 -60.18 -31.69 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.679 ' CE3' HD11 ' A' ' 437' ' ' LEU . 4.3 t90 -50.93 -47.96 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.042 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -55.74 -25.81 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' A' ' 464' ' ' LYS . 63.2 mm-40 -92.11 17.18 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 6.8 t60 -45.73 -22.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 462' ' ' GLN . 6.7 tttm -58.21 -34.69 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.76 53.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.674 HD21 HH21 ' A' ' 470' ' ' ARG . 0.1 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.46 ' N ' HD23 ' A' ' 466' ' ' LEU . 7.1 tt0 -52.81 -34.52 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -96.54 9.53 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.11 5.07 8.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.674 HH21 HD21 ' A' ' 466' ' ' LEU . 4.9 mtt180 -62.46 154.99 26.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.01 -179.69 34.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.61 155.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.432 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 15.1 p90 -163.82 153.18 12.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 119.95 5.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.6 OUTLIER -67.19 -42.19 84.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.781 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -57.17 -28.91 63.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.873 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -83.91 2.44 38.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.873 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.15 175.62 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.02 144.01 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.7 mtt180 -80.64 135.48 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.494 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 57.9 t -106.5 115.53 60.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 59.5 p -177.3 111.86 0.23 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.553 0.796 . . . . 0.0 110.008 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.67 2.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -158.07 175.16 14.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -171.06 177.16 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.62 109.63 0.96 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.41 154.63 23.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.6 tt -166.56 156.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -168.36 136.77 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.49 137.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -153.51 140.49 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -171.93 153.42 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.568 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.11 109.51 0.41 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.84 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -177.73 91.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.3 Cg_endo -74.97 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 288' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 178.12 161.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 157.05 168.71 20.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 158.91 147.12 4.75 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -178.08 143.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.9 m -159.79 122.92 1.95 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 294' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 295' ' ' ALA . . . -174.45 -126.23 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 295' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 294' ' ' GLY . . . 71.55 152.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 13.4 t -168.66 157.47 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 161.08 39.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 476' ' ' ASN . 10.5 p -106.02 105.79 54.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 404' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 0.7 OUTLIER -118.21 -38.57 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 14.4 m-20 -115.51 154.72 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.58 159.59 55.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.57 -22.16 18.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.2 t80 -36.47 150.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.5 mtt -112.6 -69.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.7 p90 -158.76 -179.61 8.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.83 145.35 28.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.645 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.9 m -125.05 167.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -133.79 124.51 26.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 1.061 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -67.92 154.16 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -122.87 -3.48 8.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.0 m-70 -149.62 170.08 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.01 101.94 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.871 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.4 111.67 22.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -79.53 114.48 18.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.871 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -111.34 117.52 33.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.1 p -119.09 94.53 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 0.7 OUTLIER -140.7 -175.17 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 7.9 t -74.46 -16.6 60.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.43 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -164.38 53.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 2.3 mm-40 -94.34 171.35 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.526 HD13 ' HA3' ' A' ' 471' ' ' GLY . 4.6 tp -122.71 114.91 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.633 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -85.15 131.29 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.061 HD12 ' HB2' ' A' ' 416' ' ' ALA . 2.7 mm? -121.95 146.69 46.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 127.59 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.95 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 92.85 50.21 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.549 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 4.2 t70 -110.64 168.49 9.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.619 HG23 ' CB ' ' A' ' 457' ' ' GLU . 5.4 m -120.1 117.41 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 455' ' ' VAL . 2.8 t -128.77 149.13 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.741 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.07 133.2 53.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.645 HG23 ' CG1' ' A' ' 414' ' ' VAL . 37.5 t -83.39 118.64 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.48 153.86 75.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 2.0 pm0 -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.4 OUTLIER -169.69 145.11 2.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.51 17.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -67.67 -28.51 67.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 3.0 mt-10 -91.05 -15.86 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.6 tt0 -74.14 133.74 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.481 ' CG ' ' HB2' ' A' ' 451' ' ' TRP . 2.9 p-10 -80.73 175.78 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 120.48 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.26 -15.42 57.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.2 OUTLIER -123.45 159.71 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -143.88 170.95 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.427 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.1 112.76 23.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.03 175.82 20.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.741 HG13 ' HG ' ' A' ' 437' ' ' LEU . 13.1 p -137.89 145.14 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.257 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.549 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 2.4 mtmp? -80.66 160.05 25.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.619 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.5 tt0 -56.88 -41.79 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -40.2 95.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.016 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.678 ' HB2' HG22 ' A' ' 455' ' ' VAL . 65.1 m-20 -63.14 -32.83 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.729 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.72 -47.68 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -55.79 -26.98 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -94.26 16.45 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.11 -23.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -58.4 -31.65 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -130.52 43.0 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 2.9 pp -55.05 -31.2 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -24.02 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -112.03 7.7 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 -10.4 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 8.0 mtm180 -60.22 149.07 34.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.526 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -162.22 -179.33 36.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.415 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -124.66 152.96 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -157.76 149.23 16.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 119.57 5.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.39 -31.83 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.662 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.7 OUTLIER -66.22 -30.35 70.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.849 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.48 3.75 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.849 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -130.79 176.43 8.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 146.83 51.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.3 140.62 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.55 115.75 48.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.82 101.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.99 151.15 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -177.07 151.74 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 276' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 276' ' ' THR . 10.0 t -174.88 108.89 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.97 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -169.88 153.25 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 5.6 tt -174.15 158.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -178.74 100.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 281' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 282' ' ' ASN . 3.3 t -103.14 158.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 282' ' ' ASN . . . . . 0.405 ' N ' ' CG1' ' A' ' 281' ' ' VAL . 15.6 p-10 -168.07 148.88 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -171.28 149.05 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -176.1 115.96 0.28 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.61 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.15 116.8 1.1 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -178.72 4.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.82 159.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 121.36 146.05 7.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 167.19 105.48 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -172.33 124.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 0.0 OUTLIER -131.39 153.14 81.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 293' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 177.94 7.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 179.6 87.25 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -130.54 161.0 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.7 t -149.55 53.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.99 161.87 38.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 476' ' ' ASN . 11.5 p -109.26 105.32 57.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 179.91 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.655 ' CZ ' ' CE2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -50.27 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.543 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 8.5 m-20 -116.04 156.09 26.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.9 160.96 59.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.455 ' N ' ' NE2' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.98 134.34 17.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.0 145.25 31.21 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 85.2 -19.02 24.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.4 t80 -37.7 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.421 ' SD ' HG12 ' A' ' 438' ' ' VAL . 8.8 mtt -113.68 -70.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 23.1 p90 -161.47 176.88 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.654 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.684 HG11 HG23 ' A' ' 438' ' ' VAL . 1.0 OUTLIER -120.49 167.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -133.61 118.12 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.817 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.19 156.97 23.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -124.97 -1.03 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.489 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.5 m-70 -148.98 169.87 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.572 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -106.98 103.91 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 1.024 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.1 t80 -115.26 113.56 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 22.1 m -80.13 114.46 19.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 1.024 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 116.34 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.0 p -120.77 94.27 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.531 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 20.9 t0 -140.56 -178.49 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.4 p -74.58 -6.01 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -168.7 47.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.83 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 1.1 tp10 -93.75 169.93 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.674 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -128.48 112.48 14.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.687 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.5 tt0 -77.87 132.35 37.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 436' ' ' VAL . 2.8 mm? -122.8 145.06 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -125.05 134.26 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.38 99.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.03 47.74 2.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.548 ' OD2' HD13 ' A' ' 430' ' ' LEU . 29.0 t70 -110.15 169.34 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.654 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -117.16 124.82 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 430' ' ' LEU . 3.3 t -137.08 139.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.803 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -99.97 130.94 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.684 HG23 HG11 ' A' ' 414' ' ' VAL . 4.3 t -80.41 110.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -120.56 153.89 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -54.86 -173.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -90.12 -31.76 16.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -156.48 146.23 15.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.82 20.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.78 -23.89 63.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.82 -21.25 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 3.0 tt0 -72.03 143.48 49.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -104.21 157.17 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.4 108.03 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.61 2.91 56.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.585 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -130.96 150.2 52.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.919 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -140.98 170.45 15.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 2.9 ttm -89.03 113.62 24.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.07 161.33 24.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.803 HG13 ' HG ' ' A' ' 437' ' ' LEU . 13.9 p -120.86 144.97 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.424 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 0.9 OUTLIER -78.73 160.8 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.54 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.3 tt0 -58.25 -40.26 81.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.672 ' HB2' HG22 ' A' ' 455' ' ' VAL . 40.6 m-20 -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.683 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.9 t90 -52.73 -47.05 67.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -63.1 -23.57 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.9 OUTLIER -86.99 18.2 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 405' ' ' ASP . 2.0 t-80 -44.5 -24.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.55 -30.77 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -138.0 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 463' ' ' HIS . 0.2 OUTLIER -63.68 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -17.68 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 7.21 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 469' ' ' CYS . . . . . 0.413 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -114.21 -11.2 12.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 4.8 mtm180 -62.95 153.11 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.674 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -169.52 179.85 41.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 473' ' ' PHE . 2.9 t -124.18 158.56 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 472' ' ' VAL . 17.5 p90 -164.02 153.17 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.585 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 120.59 6.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.554 1.818 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.919 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.0 tt0 -67.43 -39.43 85.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.685 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.6 m-20 -58.86 -30.72 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.88 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -84.37 2.96 38.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.88 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -132.76 176.27 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -136.53 151.25 49.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 2.7 mtt180 -83.43 137.78 33.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.13 117.49 58.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.95 116.78 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -169.59 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -172.68 165.84 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -176.52 171.6 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 276' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -171.58 143.42 1.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 277' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -75.01 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.1 91.6 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.42 149.52 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -109.52 171.36 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.74 155.9 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -163.12 150.17 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -173.56 164.86 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.64 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.49 104.58 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.86 151.93 22.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.5 2.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -172.45 140.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -151.22 -177.85 25.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.53 125.9 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -153.3 132.28 12.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 292' ' ' THR . 12.0 t -114.97 107.16 50.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.57 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 147.09 105.55 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -128.71 121.68 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 21.0 m -109.56 128.53 55.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.99 161.62 38.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.0 p -111.91 105.4 56.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.475 ' NE ' ' N ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -124.84 -41.16 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -113.23 154.8 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.9 160.53 55.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.02 134.44 17.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 141.98 27.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.13 -22.84 24.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.7 t80 -36.75 147.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 111.007 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.416 ' CE ' HG12 ' A' ' 438' ' ' VAL . 7.7 mtt -108.76 -67.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 30.1 p90 -160.37 173.25 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.843 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -93.8 142.8 26.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.923 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.6 m -124.77 160.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.58 125.45 36.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.762 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -69.2 146.81 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.37 -1.75 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.485 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.6 m-70 -148.62 170.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 p-10 -108.05 106.14 16.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.877 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -114.88 111.65 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 8.7 m -80.19 113.82 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.877 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.24 117.54 32.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -118.35 94.24 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -141.04 -174.78 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 7.0 t -85.06 -0.25 53.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.431 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -172.46 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.404 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 2.7 mm-40 -93.72 170.01 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.687 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.5 tp -123.64 114.35 19.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.486 ' C ' HD22 ' A' ' 430' ' ' LEU . 4.3 tt0 -83.73 135.68 34.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.063 HD11 ' CG2' ' A' ' 436' ' ' VAL . 3.7 mm? -128.79 143.98 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.95 124.83 40.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -27.23 108.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.82 48.5 3.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.68 ' HB3' HD12 ' A' ' 430' ' ' LEU . 6.0 t0 -107.03 169.09 8.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.843 HG13 ' HE3' ' A' ' 413' ' ' LYS . 13.9 t -119.31 114.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.063 ' CG2' HD11 ' A' ' 430' ' ' LEU . 68.9 t -129.65 136.17 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.8 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -102.74 128.61 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.661 HG23 ' CG1' ' A' ' 414' ' ' VAL . 45.5 t -76.65 120.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.768 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.36 153.08 80.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.6 -175.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -26.22 35.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.15 148.67 9.62 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.86 16.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -19.93 62.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.75 -10.22 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.64 152.85 22.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.415 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 13.0 t70 -108.88 164.93 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 111.0 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.25 -5.24 58.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.56 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.4 m95 -126.41 153.21 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -143.59 172.36 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.406 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -91.2 114.04 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.0 172.37 21.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.8 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.1 p -132.57 139.4 49.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.462 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -75.79 160.39 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.33 -35.96 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -43.31 75.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.468 ' HB2' HG22 ' A' ' 455' ' ' VAL . 4.9 m-20 -62.43 -32.64 73.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.8 t90 -51.7 -47.64 63.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -55.44 -25.87 38.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -90.51 16.9 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -23.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -57.65 -29.98 65.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 465' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -146.41 50.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 467' ' ' GLU . 0.2 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.589 ' HG3' HD23 ' A' ' 466' ' ' LEU . 4.5 mt-10 -57.97 -17.65 18.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -110.44 7.49 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.99 0.77 9.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.53 146.11 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.687 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -157.5 -179.95 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.5 t -124.94 154.35 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 18.1 p90 -159.61 149.56 14.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 119.14 5.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.705 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.47 -35.91 80.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.718 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.2 m-20 -62.29 -28.45 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -88.55 3.1 51.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.776 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.78 173.58 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -127.35 150.24 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -85.54 137.36 32.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.504 HG21 ' HZ3' ' A' ' 413' ' ' LYS . 46.8 t -114.43 117.71 42.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 2.8 t -173.73 113.35 0.33 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -170.12 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -168.91 165.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -152.63 173.79 14.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 4.5 m -162.08 89.54 1.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -151.0 174.42 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.2 tp -171.79 119.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.42 161.55 37.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 281' ' ' VAL . . . . . 0.52 HG22 ' H ' ' A' ' 282' ' ' ASN . 9.8 p -169.64 170.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 282' ' ' ASN . . . . . 0.52 ' H ' HG22 ' A' ' 281' ' ' VAL . 1.8 t30 -170.21 165.36 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -162.32 175.88 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.559 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.87 109.14 0.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.63 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -148.19 140.81 14.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -176.0 2.65 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -155.5 160.33 40.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -167.63 171.75 42.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -154.12 -172.47 22.14 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.78 149.72 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 52.8 m -152.68 112.92 2.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.34 35.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -108.7 -78.52 1.07 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 63.88 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.7 t -161.58 152.71 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.2 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.779 HG13 ' HB2' ' A' ' 476' ' ' ASN . 13.6 p -106.44 105.13 53.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.18 -34.52 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.51 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 7.1 m-20 -72.63 155.03 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 158.56 31.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.94 136.22 20.25 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.457 1.767 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 137.34 21.55 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.2 -23.3 15.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 25.8 t80 -36.84 152.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -115.6 -66.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.527 ' CE2' ' HD3' ' A' ' 480' ' ' ARG . 36.6 p90 -158.88 176.05 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.443 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -100.15 150.28 22.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.529 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.2 m -131.92 165.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.4 121.4 22.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.757 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -64.41 153.01 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -122.75 -1.48 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.1 m-70 -147.99 169.89 18.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.567 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -107.68 101.43 10.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.868 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -111.67 112.4 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.6 m -80.61 114.39 19.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.868 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.92 116.4 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.0 p -118.6 92.73 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 7.6 t0 -142.87 -174.9 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -85.83 -7.41 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -158.28 40.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -98.72 161.78 13.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -123.29 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.78 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.9 tt0 -82.26 139.05 34.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.063 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -130.17 141.59 50.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -123.02 131.43 53.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.97 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.17 44.44 3.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.589 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.8 t0 -107.03 166.34 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.566 HG23 ' CB ' ' A' ' 457' ' ' GLU . 1.2 m -114.92 124.56 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.063 HG21 HD11 ' A' ' 430' ' ' LEU . 18.9 t -136.61 144.94 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.71 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.56 132.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.529 HG23 ' CG1' ' A' ' 414' ' ' VAL . 6.0 t -84.78 118.2 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.761 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.09 152.82 73.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.53 4.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.43 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.48 -10.46 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.33 148.48 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.27 -27.86 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -86.01 -10.99 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.01 149.26 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -102.22 169.7 8.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.16 107.34 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.29 -10.24 59.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -123.53 143.27 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -131.93 172.41 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.74 112.92 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.761 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -128.37 -179.97 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 459' ' ' ASP . 11.1 p -138.97 144.7 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.27 158.72 26.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.566 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.2 tt0 -57.32 -38.2 73.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -40.04 87.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.775 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.4 m-20 -60.0 -33.14 71.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.445 ' CD1' ' HD3' ' A' ' 403' ' ' ARG . 3.7 t90 -52.52 -47.94 66.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -67.52 -25.18 65.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -85.56 18.53 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.634 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.83 -24.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.619 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.91 -32.73 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -139.01 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -32.03 70.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -61.04 -23.73 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -109.38 7.39 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -8.7 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -61.69 151.65 33.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.566 ' C ' HD12 ' A' ' 428' ' ' LEU . . . -167.11 178.59 41.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -122.17 160.08 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.5 p90 -163.39 154.04 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 117.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.0 tt0 -68.43 -29.82 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.779 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -67.56 -29.15 68.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.916 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.916 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -130.02 175.72 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.75 148.56 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.527 ' HD3' ' CE2' ' A' ' 412' ' ' PHE . 3.7 mtt180 -82.47 141.47 32.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.435 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 69.0 t -115.6 124.43 29.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 83.8 p -175.03 110.36 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 110.033 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.93 3.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 274' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 275' ' ' ALA . . . -173.99 153.48 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 275' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 274' ' ' ALA . . . 178.32 173.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.91 110.05 0.83 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.13 170.88 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.99 137.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -148.75 150.51 33.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.0 p -169.49 163.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.83 167.77 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -164.85 176.81 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -176.65 126.3 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -172.86 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.792 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.99 139.23 14.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.67 3.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -159.14 170.72 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.38 -177.24 23.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.99 -172.18 31.14 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 291' ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' ' 292' ' ' THR . . . -149.73 174.87 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 292' ' ' THR . 8.3 t -175.43 69.8 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.56 12.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -157.1 -165.8 15.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -168.37 175.23 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.4 m -152.72 151.05 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 297' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 297' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -75.05 160.09 40.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.9 p -113.72 104.12 55.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.498 ' O ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.68 -34.97 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -111.71 155.35 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.7 161.4 47.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -74.99 134.96 18.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.03 137.79 22.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 92.15 -23.31 27.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.08 148.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -107.48 -69.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.2 p90 -159.98 177.11 11.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.578 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.3 OUTLIER -94.51 144.98 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.71 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.8 m -132.73 163.2 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 481' ' ' VAL . 0.0 OUTLIER -134.61 124.66 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.11 154.6 37.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -124.45 -1.56 8.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.34 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.476 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.0 m-70 -147.97 169.97 18.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.74 100.62 9.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.881 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -111.28 108.99 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.3 m -77.59 113.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.881 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.12 117.94 34.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.1 p -119.16 94.09 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.54 -177.51 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -84.91 6.65 24.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.42 45.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.67 170.37 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.525 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -125.53 113.52 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.424 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -81.97 135.57 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.925 HD11 ' CG2' ' A' ' 436' ' ' VAL . 3.2 mm? -126.83 147.99 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.83 129.85 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.19 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.69 47.35 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.555 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.0 t0 -111.05 166.81 10.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 457' ' ' GLU . 2.8 m -117.17 121.93 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.925 ' CG2' HD11 ' A' ' 430' ' ' LEU . 24.3 t -133.22 149.8 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.578 HD23 ' HE3' ' A' ' 413' ' ' LYS . 0.1 OUTLIER -113.71 128.29 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.71 HG23 ' CG1' ' A' ' 414' ' ' VAL . 55.9 t -77.08 120.64 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.75 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.95 4.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.44 -172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -86.5 -20.88 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.48 149.22 3.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.73 19.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -19.56 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -90.53 -7.99 51.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.442 ' CG ' ' HA ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -92.24 149.65 21.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.468 ' OD1' ' CD1' ' A' ' 451' ' ' TRP . 6.3 t70 -106.43 166.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.32 111.15 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 95.82 6.87 59.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.715 ' C ' HD23 ' A' ' 452' ' ' LEU . 5.2 m95 -131.57 156.02 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -146.72 169.1 19.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -90.83 112.76 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.75 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.06 166.91 24.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.898 HG22 ' HB2' ' A' ' 459' ' ' ASP . 9.7 p -129.97 145.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.498 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 3.4 mtmp? -75.99 163.75 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.582 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.5 tt0 -59.49 -44.99 92.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -40.76 75.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.898 ' HB2' HG22 ' A' ' 455' ' ' VAL . 88.9 m-20 -67.11 -31.3 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.522 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -50.08 -47.2 53.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -55.53 -26.58 43.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -88.5 16.57 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.483 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -45.28 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.597 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.2 mttp -58.33 -40.67 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -147.62 47.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 463' ' ' HIS . 2.1 pt? -70.8 -30.2 66.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 2.3 mt-10 -55.45 -17.17 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -101.79 8.09 41.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 469' ' ' CYS . 0.5 OUTLIER -130.3 8.51 5.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.439 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -57.12 155.3 8.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.525 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -158.24 -178.88 32.69 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.85 157.19 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -164.61 152.9 10.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.98 122.2 7.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.747 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.76 -40.54 79.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.672 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -59.21 -28.91 67.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.837 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -83.95 1.21 44.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.837 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.81 -179.92 5.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.84 154.26 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.478 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 9.2 mtt180 -78.5 138.48 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 413' ' ' LYS . 2.4 t -106.1 118.82 54.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.99 105.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 171.91 17.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.23 175.49 9.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -140.23 157.63 45.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 89.7 m -132.83 118.76 15.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.1 23.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.35 160.99 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.96 136.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.54 150.87 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.45 140.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -136.96 177.6 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.87 175.44 13.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.55 146.05 10.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.63 10.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.504 1.792 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.45 122.77 17.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.75 42.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.02 39.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.55 170.56 29.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.92 163.9 35.02 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -152.72 147.95 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 292' ' ' THR . 12.9 t -172.55 89.78 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.38 24.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 294' ' ' GLY . . . . . 0.643 ' O ' ' HB2' ' A' ' 295' ' ' ALA . . . -144.62 144.73 13.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 295' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 294' ' ' GLY . . . 167.04 104.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.7 p -111.73 -23.02 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.409 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -75.01 157.99 42.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 476' ' ' ASN . 5.0 p -107.83 105.05 55.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.403 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 404' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 404' ' ' LEU . 2.5 pt? -124.65 -42.42 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -114.98 155.02 27.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 160.49 58.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.69 18.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 144.19 30.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.21 -21.19 22.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.92 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.965 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -111.76 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.535 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.5 p90 -161.2 174.39 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.692 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -94.0 150.5 20.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.669 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -132.78 166.42 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -132.82 122.95 25.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.934 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -65.39 151.5 46.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.48 -3.28 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.473 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.3 m-70 -149.26 169.63 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 8.4 t70 -105.64 104.39 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.898 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -114.07 108.82 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -78.71 113.6 16.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.898 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.38 118.15 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 41.7 p -118.63 94.36 4.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -141.35 -175.93 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -87.06 7.36 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -177.04 39.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.75 170.71 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.21 113.6 17.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.7 137.11 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.934 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -130.23 149.32 51.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -128.59 133.94 48.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.76 99.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.23 48.46 1.71 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.567 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 13.2 t70 -109.82 169.55 8.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.692 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.0 OUTLIER -118.46 121.49 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.472 ' C ' HD23 ' A' ' 437' ' ' LEU . 7.3 t -133.98 143.55 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.876 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.29 131.43 54.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.669 HG23 ' CG1' ' A' ' 414' ' ' VAL . 96.9 t -80.91 120.8 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.743 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.87 152.45 79.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.98 -171.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -85.21 -16.42 40.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.11 148.1 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -19.7 17.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -92.49 -12.21 32.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.16 148.83 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -99.02 174.01 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.89 112.21 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.79 -9.76 62.14 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 3.0 m95 -117.18 158.82 23.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -149.45 170.85 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -91.92 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.743 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.21 175.5 19.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.876 HG13 ' HG ' ' A' ' 437' ' ' LEU . 8.9 p -136.16 142.28 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.266 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.403 ' HD2' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -79.57 159.94 26.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.518 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.3 tt0 -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.39 70.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER -60.43 -32.66 71.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.646 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.2 t90 -51.21 -47.79 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -54.37 -25.39 24.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.446 ' C ' ' N ' ' A' ' 464' ' ' LYS . 69.7 mm-40 -91.14 16.88 8.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -45.61 -22.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -57.79 -29.61 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -149.71 56.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 0.3 OUTLIER -69.52 -31.17 69.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.12 -17.89 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.05 7.78 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 -1.55 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 13.3 mtm180 -66.52 155.49 37.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.67 177.22 36.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.92 155.03 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.297 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.461 ' HB2' HD13 ' A' ' 430' ' ' LEU . 16.2 p90 -162.87 153.26 13.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.07 119.93 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.5 OUTLIER -69.16 -33.68 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.606 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -64.81 -27.81 69.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.822 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -87.11 4.52 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.822 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.42 178.82 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -133.09 144.65 50.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.46 142.25 33.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.46 115.43 34.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 94.4 p -159.96 148.53 13.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 179.19 6.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.95 170.99 14.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -143.18 174.51 10.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 276' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 0.1 OUTLIER -135.29 147.75 63.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 277' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -75.0 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -148.04 155.11 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 2.2 tt -138.35 155.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.06 167.67 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.09 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -146.64 167.91 22.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.55 174.65 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.01 147.6 19.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.68 4.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -134.47 146.11 57.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.56 14.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.574 1.828 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.0 163.41 32.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -110.55 -170.59 19.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.456 1.098 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -152.69 -155.52 7.13 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -144.74 172.47 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 6.6 m -139.44 136.08 17.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 293' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.57 -146.46 7.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -151.21 168.2 25.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 17.1 m -151.0 128.12 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -74.96 148.22 35.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.5 p -105.93 104.45 49.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.474 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -119.75 -39.7 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -112.82 153.34 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.66 161.46 53.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.98 134.28 17.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.94 141.46 26.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.769 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.64 -23.4 16.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.8 t80 -35.98 154.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -116.2 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 22.0 p90 -162.01 175.8 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 144.29 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.934 HG22 ' O ' ' A' ' 436' ' ' VAL . 5.2 m -125.6 164.73 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.07 119.31 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.851 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.87 157.16 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -124.18 -2.38 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.7 m-70 -148.48 170.55 17.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.428 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.2 OUTLIER -109.17 104.67 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.888 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -115.2 120.39 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 55.3 m -85.02 114.86 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.888 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.97 116.56 30.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -119.1 94.4 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 16.3 t0 -141.84 -174.74 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -79.23 -14.53 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -160.22 45.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.403 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -92.35 170.58 9.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.692 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -126.29 118.24 24.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.567 ' O ' HD22 ' A' ' 430' ' ' LEU . 1.6 tt0 -84.98 127.96 34.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -117.22 145.39 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.49 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -128.05 131.01 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.73 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.66 42.39 3.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.586 ' OD2' HD13 ' A' ' 430' ' ' LEU . 12.9 t0 -103.98 164.75 11.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 457' ' ' GLU . 3.4 m -118.06 117.71 55.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.934 ' O ' HG22 ' A' ' 414' ' ' VAL . 2.5 t -131.49 141.73 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.715 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -102.15 132.32 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.628 HG23 ' CG1' ' A' ' 414' ' ' VAL . 32.5 t -80.23 116.1 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.772 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -124.08 152.93 67.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.77 4.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.443 1.759 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.85 -172.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -20.44 32.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.89 148.16 1.66 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.89 14.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.11 -24.75 64.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.49 -12.48 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.46 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.4 142.73 29.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -84.9 173.43 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.31 108.73 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.27 -4.25 58.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.929 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.5 m95 -122.72 141.95 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.929 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.4 169.68 14.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 1.2 ttm -88.77 113.55 24.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.772 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.23 167.5 23.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.898 HG22 ' HB2' ' A' ' 459' ' ' ASP . 8.9 p -131.11 142.49 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -75.08 160.13 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.48 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.8 tt0 -57.69 -41.7 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -38.61 84.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.898 ' HB2' HG22 ' A' ' 455' ' ' VAL . 54.7 m-20 -66.14 -32.39 73.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.715 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.58 -48.53 63.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -55.93 -25.41 43.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -89.99 17.58 6.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 3.2 t60 -45.65 -22.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -58.22 -30.77 66.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 465' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -159.26 51.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -69.75 -30.19 67.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.2 OUTLIER -53.56 -20.77 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 468' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -99.83 8.11 44.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.46 6.65 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 4.0 mtm180 -60.57 152.97 24.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.692 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -160.04 -179.85 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -122.83 155.67 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -160.47 151.83 16.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.97 119.6 5.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -35.7 78.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.546 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -62.47 -31.5 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.889 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -85.04 0.72 50.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.889 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -128.71 174.39 9.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -131.56 153.07 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.9 mtt180 -86.95 133.68 33.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.267 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.14 119.59 56.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.48 107.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.016 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 273' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 274' ' ' ALA . 18.3 Cg_endo -74.94 -168.73 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 274' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 273' ' ' PRO . . . 178.05 162.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -169.33 168.02 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 9.0 m -161.15 100.86 1.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.72 145.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -169.8 123.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -140.23 121.22 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 281' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 282' ' ' ASN . 51.3 t -125.79 162.84 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 282' ' ' ASN . . . . . 0.432 ' N ' HG12 ' A' ' 281' ' ' VAL . 0.7 OUTLIER -169.89 163.41 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -177.74 178.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 173.49 114.26 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -174.66 92.62 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.1 Cg_endo -75.03 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 288' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 179.02 167.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 161.15 168.8 23.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 165.6 156.84 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -167.94 176.09 6.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 105.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -158.45 -161.48 11.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -178.63 156.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 78.6 m -156.16 135.05 11.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -74.98 161.02 39.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.58 HG13 ' HB2' ' A' ' 476' ' ' ASN . 9.9 p -110.6 113.67 55.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 404' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.1 pt? -119.14 -40.6 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.534 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 34.8 m-20 -112.39 155.12 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.0 161.39 58.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 134.27 17.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.03 139.28 24.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.771 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.77 -24.41 15.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.5 t80 -35.74 150.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 111.026 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.0 mtt -112.55 -68.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 17.9 p90 -160.77 177.92 9.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 146.04 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 436' ' ' VAL . 6.1 m -128.03 166.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.5 121.49 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.76 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.55 154.16 39.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -122.47 -3.39 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.518 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 80.6 m80 -149.06 170.2 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 9.2 t70 -106.78 101.48 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.81 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -114.0 110.32 19.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.93 116.63 16.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.81 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 112.9 24.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 423' ' ' THR . . . . . 0.546 ' N ' ' OE1' ' A' ' 427' ' ' GLU . 21.3 p -120.01 92.51 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.425 ' CB ' ' HG3' ' A' ' 427' ' ' GLU . 38.9 t0 -141.92 178.07 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.4 t -71.46 -4.51 26.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -169.73 44.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 423' ' ' THR . 1.9 mt-10 -92.09 167.93 11.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.585 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.92 119.96 30.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.74 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.4 tt0 -85.52 134.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.059 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -128.82 143.66 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.11 133.77 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.0 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.99 47.06 1.8 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.596 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 21.6 t70 -109.41 168.55 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 457' ' ' GLU . 0.8 OUTLIER -117.09 122.84 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.059 HG21 HD11 ' A' ' 430' ' ' LEU . 4.4 t -134.82 142.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.901 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -104.72 132.61 50.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.487 HG23 HG11 ' A' ' 414' ' ' VAL . 5.5 t -80.94 114.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.752 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.47 153.27 62.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.46 -178.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -87.28 0.33 55.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 171.54 147.34 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.27 20.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.1 -21.62 61.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -11.9 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 3.1 tt0 -84.09 144.97 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -105.27 164.39 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 108.39 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.04 -11.39 58.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.0 OUTLIER -119.31 150.93 39.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -141.14 172.1 13.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.61 114.66 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.752 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.54 169.24 23.2 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.901 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.4 p -133.03 145.53 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -78.33 160.37 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.467 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.9 tt0 -58.29 -43.73 88.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -38.54 78.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.635 ' HB2' HG22 ' A' ' 455' ' ' VAL . 3.1 m-20 -66.57 -31.44 72.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.772 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -50.51 -47.63 57.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -56.35 -25.44 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -88.07 16.82 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.8 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -45.45 -23.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.1 mtpm? -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.04 42.02 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.8 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.71 -29.89 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -55.35 -18.32 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -102.01 7.06 41.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.6 3.57 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -57.93 154.41 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.585 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -158.72 -179.69 33.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.9 156.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.507 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 22.7 p90 -160.45 149.12 13.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 119.76 5.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.725 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.3 tt0 -67.38 -37.53 83.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.58 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.3 m-20 -60.88 -28.42 68.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.85 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.52 3.01 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.85 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.91 173.36 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.29 155.87 47.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -88.58 134.96 33.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.16 117.96 58.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 112.34 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.027 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.7 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -160.75 178.67 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -167.52 175.32 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 276' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 276' ' ' THR . 6.5 t -174.23 95.61 0.31 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -175.52 2.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.05 163.47 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.2 tt -163.7 172.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -172.43 161.02 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.13 134.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -141.86 154.95 45.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.19 150.06 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.59 121.41 3.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.76 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.03 96.42 0.53 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.68 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.96 178.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 171.07 176.01 39.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 170.04 157.74 12.82 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.13 178.89 8.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.5 t -177.06 104.15 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -166.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 164.83 161.43 13.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -174.32 179.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.5 t -160.61 177.03 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.1 Cg_endo -75.07 161.88 37.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 476' ' ' ASN . 12.5 p -106.04 105.99 55.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.485 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -37.86 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.43 155.1 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.3 161.06 47.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.97 134.33 17.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 142.53 27.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.47 -22.23 14.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.2 t80 -36.09 152.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.464 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 10.0 mtt -113.02 -70.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 12.3 p90 -160.57 175.57 12.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 140.19 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.5 m -122.34 163.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -133.88 120.05 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.729 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.58 150.09 49.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -118.81 -3.94 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.502 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.0 m-70 -145.88 170.44 16.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.35 105.5 15.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.912 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.7 OUTLIER -114.98 108.77 17.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -76.86 113.89 15.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.912 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -105.98 116.98 32.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 70.6 p -117.27 92.42 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -144.02 -174.13 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 1.5 t -92.02 8.44 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -178.82 61.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.523 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -119.07 171.62 8.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.88 113.99 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.618 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.6 tt0 -76.9 138.88 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 436' ' ' VAL . 3.8 mm? -130.68 136.9 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.5 127.29 50.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.532 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -30.24 105.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.34 3.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.577 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 6.5 t0 -103.52 164.66 11.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.546 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.4 m -119.05 116.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 430' ' ' LEU . 40.8 t -131.49 145.1 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.83 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -106.86 130.47 54.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.644 HG23 HG11 ' A' ' 414' ' ' VAL . 7.2 t -77.8 119.4 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.751 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.71 153.32 79.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.92 -171.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.79 -9.47 55.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.74 148.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.03 17.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.37 -22.99 61.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.83 -9.37 54.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.17 148.35 23.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -100.07 166.91 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.34 110.55 13.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.71 3.36 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.637 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.2 m95 -134.39 145.31 48.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -134.11 171.68 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -90.87 113.56 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.751 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.86 169.79 21.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 459' ' ' ASP . 11.1 p -132.26 145.32 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 160.42 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.546 ' HB3' HG23 ' A' ' 435' ' ' VAL . 4.5 tt0 -58.39 -42.52 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -39.15 88.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.803 ' HB2' HG22 ' A' ' 455' ' ' VAL . 82.4 m-20 -64.23 -31.71 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.83 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -51.73 -47.44 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -57.03 -25.53 58.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -89.75 17.24 6.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.8 OUTLIER -45.82 -22.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 4.8 tttt -58.59 -30.57 67.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.86 51.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.97 -30.48 67.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 3.5 mt-10 -55.67 -17.56 6.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -100.17 8.16 44.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 469' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 5.7 p -130.78 8.4 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.511 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -58.27 154.93 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -164.02 175.5 40.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.12 156.44 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -160.79 152.59 16.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.448 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -68.59 -35.09 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.694 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -63.35 -27.16 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.925 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.1 4.03 46.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.925 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -132.97 152.19 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 36.3 t -111.78 132.84 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 110.992 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 78.9 p -177.95 120.2 0.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -174.05 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -151.72 173.94 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.32 172.67 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 276' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 276' ' ' THR . 4.7 t -156.28 106.29 2.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.54 9.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.42 159.14 12.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.8 tt -169.87 132.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.79 147.75 41.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.0 p -158.18 135.03 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.87 174.32 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 284' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 285' ' ' PRO . 0.1 OUTLIER -167.06 134.23 1.95 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 284' ' ' GLU . 18.2 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -151.79 91.52 3.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.52 18.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.07 178.8 6.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 175.89 159.01 20.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 172.03 104.82 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -59.72 167.56 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 53.3 m -150.6 89.81 4.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -123.75 -136.04 4.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -159.19 158.37 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.796 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 10.9 t -115.54 149.68 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.3 p -104.91 105.75 52.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.02 -34.02 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.518 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 25.9 m-20 -75.43 156.81 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.21 158.3 34.2 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -75.03 136.91 20.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.05 139.08 23.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.75 -23.5 16.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 409' ' ' GLY . 16.3 t80 -35.67 149.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.1 mtt -112.14 -69.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 438' ' ' VAL . 19.2 p90 -154.83 179.62 8.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.733 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -103.75 142.22 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.475 HG13 HG23 ' A' ' 438' ' ' VAL . 3.1 m -124.26 164.36 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.33 122.15 25.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.645 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.45 153.4 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -122.19 -3.63 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.519 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -148.69 170.12 18.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.27 101.66 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.887 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -110.07 112.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.52 112.7 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.887 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -109.06 116.2 31.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.1 p -118.77 92.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.478 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 43.7 t0 -141.62 176.87 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.6 t -72.8 -3.33 24.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -175.58 56.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 472' ' ' VAL . 3.3 mm-40 -101.78 168.56 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.1 tp -118.24 113.86 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.654 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -84.73 138.22 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.974 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -130.63 145.94 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.5 129.03 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.21 105.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 91.31 49.96 2.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.486 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 39.4 t0 -113.32 170.72 8.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.733 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 2.6 m -119.31 128.37 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.974 ' CG2' HD11 ' A' ' 430' ' ' LEU . 4.7 t -137.06 144.88 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.661 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.03 133.31 52.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.78 HG21 ' CE1' ' A' ' 412' ' ' PHE . 54.2 t -82.06 117.94 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.78 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.35 151.83 75.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 440' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.75 -172.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -12.53 50.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.43 148.32 0.51 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -20.56 16.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.55 -21.54 60.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.4 -10.13 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.85 148.67 25.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 15.7 t0 -91.83 172.22 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.16 106.98 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 102.24 -7.87 54.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.611 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -122.41 135.45 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 472' ' ' VAL . 0.0 OUTLIER -119.01 168.3 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -87.47 113.18 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.78 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.91 175.89 20.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.598 HG13 ' HG ' ' A' ' 437' ' ' LEU . 8.5 p -136.77 145.31 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -80.09 159.34 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.568 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.1 tt0 -57.73 -37.36 73.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -44.57 95.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.595 ' HB2' HG22 ' A' ' 455' ' ' VAL . 35.8 m-20 -59.7 -32.2 70.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.661 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 -51.13 -48.18 61.84 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -68.8 -25.97 64.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 2.2 tp60 -86.72 19.04 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -44.92 -23.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.578 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -56.86 -30.19 63.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.01 45.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -68.77 -42.94 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.596 ' N ' HD23 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -60.52 -16.19 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 7.48 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -122.41 0.11 9.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -55.04 134.26 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.468 ' O ' ' HE2' ' A' ' 453' ' ' MET . . . -157.82 179.86 33.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.606 HG22 ' OE2' ' A' ' 427' ' ' GLU . 3.1 m -122.67 166.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 24.5 p90 -160.62 154.43 19.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.611 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.03 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 475' ' ' GLU . 1.6 tt0 -67.76 -29.5 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.692 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.2 m-20 -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.891 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -91.15 5.06 50.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.891 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -131.74 174.37 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.57 155.64 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.9 mtm-85 -89.24 140.33 29.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.479 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 43.0 t -110.28 119.2 47.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 20.8 t -168.43 94.55 0.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.5 5.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -175.1 143.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -175.35 137.05 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 8.0 m -161.37 107.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.53 107.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.679 HD13 ' N ' ' A' ' 280' ' ' ARG . 0.1 OUTLIER -168.84 119.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.679 ' N ' HD13 ' A' ' 279' ' ' ILE . 0.1 OUTLIER -179.72 170.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 73.3 t 64.0 124.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 5.2 p30 178.48 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -171.01 174.9 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.92 103.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -179.34 71.1 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.73 17.75 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -175.76 174.63 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 150.16 151.39 5.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 290' ' ' GLY . . . . . 0.547 ' O ' ' HB2' ' A' ' 291' ' ' ALA . . . 149.93 149.51 5.02 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 291' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 290' ' ' GLY . . . 171.91 168.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 7.1 t -163.51 144.7 7.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -99.03 -151.84 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 295' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 296' ' ' THR . . . -178.96 170.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 296' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 295' ' ' ALA . 13.6 t 49.55 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.1 Cg_endo -75.02 162.68 36.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.2 p -104.89 105.69 52.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.958 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.494 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 -41.83 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -111.49 154.2 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.76 159.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.98 133.86 17.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.05 142.87 28.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.72 -22.84 15.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.4 t80 -36.59 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 0.784 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.5 mtt -115.19 -72.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.577 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 20.7 p90 -159.39 173.41 16.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.662 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -95.87 143.42 27.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.579 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -127.62 164.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.56 126.38 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.765 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -70.21 151.92 44.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -120.29 -3.12 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.516 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.0 m-70 -145.94 170.86 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.555 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.31 105.82 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.873 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -113.27 117.15 31.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 7.1 m -86.56 113.01 22.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.873 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -106.34 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 45.2 p -115.14 90.78 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -145.08 176.59 9.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.2 t -85.76 13.49 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 176.84 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.503 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.2 OUTLIER -120.47 172.4 7.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.581 HD13 ' HA3' ' A' ' 471' ' ' GLY . 2.3 tp -122.19 113.14 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.408 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.1 tt0 -82.93 123.28 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.918 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -112.06 149.12 32.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.6 131.39 46.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.333 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.0 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.27 49.47 2.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.546 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.6 t0 -111.45 170.24 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.662 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 1.6 m -119.27 123.39 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 430' ' ' LEU . 2.3 t -135.66 142.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -106.11 132.34 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.579 HG23 ' CG1' ' A' ' 414' ' ' VAL . 69.7 t -82.0 115.94 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.755 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -125.54 152.11 71.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.22 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -25.18 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.25 148.84 5.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.07 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -19.35 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -94.07 -6.52 44.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.01 150.11 21.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 24.0 t0 -98.47 171.05 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -83.38 108.5 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.48 -8.37 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.71 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.4 OUTLIER -123.46 135.48 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.71 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -122.73 170.9 9.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.7 ttm -86.68 113.19 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.755 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.54 172.28 21.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.3 p -136.17 144.99 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 109.268 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -76.43 160.76 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 435' ' ' VAL . 10.0 tt0 -59.26 -41.54 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.5 ' HA ' ' ND2' ' A' ' 461' ' ' ASN . 0.1 OUTLIER -61.84 -43.69 98.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.61 ' HB2' HG22 ' A' ' 455' ' ' VAL . 27.5 m-20 -59.78 -34.13 72.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.513 ' HB2' HD11 ' A' ' 437' ' ' LEU . 5.2 t90 -52.7 -43.14 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ASN . . . . . 0.5 ' ND2' ' HA ' ' A' ' 458' ' ' SER . 2.3 m-20 -53.82 -26.59 24.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 39.8 mm-40 -96.37 19.5 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -44.74 -22.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.546 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 11.9 tttm -57.14 -29.67 63.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -149.35 52.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -32.08 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -18.4 7.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -106.04 7.7 31.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.8 7.88 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -61.61 152.19 31.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.581 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -161.67 -179.58 36.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -129.48 158.95 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.24 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.4 p90 -164.33 157.02 14.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 118.1 5.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.81 -31.74 70.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.698 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -65.93 -30.94 71.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.934 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -84.01 3.74 33.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.934 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -131.0 176.92 7.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -132.2 144.68 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.577 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.0 mtt180 -78.65 139.47 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.518 HG23 ' HA ' ' A' ' 414' ' ' VAL . 40.0 t -114.01 117.41 43.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 110.968 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 26.0 t -169.06 128.56 0.96 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -146.17 177.87 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.67 174.29 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 276' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 37.4 p -146.0 144.29 21.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 277' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -74.97 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.59 167.49 22.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.5 tp -142.68 137.18 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -119.01 170.96 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.7 p -144.22 166.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -148.05 174.65 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -141.7 178.11 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.19 146.55 37.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -171.01 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -138.59 149.02 61.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.77 2.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -148.18 178.98 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -133.39 -167.58 11.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -155.18 -155.66 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -157.28 -178.86 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 7.7 t -148.14 145.76 21.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 293' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.04 -169.61 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -125.46 -148.69 7.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -165.21 154.42 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 20.1 p -118.76 -172.71 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.624 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.4 p -106.1 104.53 50.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.534 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.04 -39.17 3.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -111.15 154.69 23.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.67 160.33 56.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.0 135.68 19.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.94 143.63 29.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.0 -24.22 9.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.9 t80 -36.23 154.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.24 -67.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 38.1 p90 -161.43 177.78 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.757 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -97.92 151.0 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.552 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -132.72 166.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.07 118.97 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.828 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.97 157.36 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.8 -3.41 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.542 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 83.4 m-70 -144.97 170.81 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.604 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 13.7 t70 -109.37 102.29 11.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.97 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -115.81 108.55 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.6 112.88 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.97 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.81 114.98 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 15.3 p -121.22 93.7 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 427' ' ' GLU . 26.2 t0 -141.2 -178.19 5.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 425' ' ' THR . . . . . 0.523 HG23 ' OD2' ' A' ' 426' ' ' ASP . 15.1 t -77.51 -5.06 48.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 426' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 425' ' ' THR . 9.7 m-20 -164.71 43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.523 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -97.67 165.92 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.547 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -127.43 113.25 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.604 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.1 tt0 -76.44 137.16 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.929 HD11 HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -130.38 142.79 50.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.468 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.36 132.37 53.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.79 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.11 47.13 1.92 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.497 ' OD2' HD13 ' A' ' 430' ' ' LEU . 23.9 t70 -109.1 166.89 10.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.445 HG12 ' HE3' ' A' ' 413' ' ' LYS . 1.9 m -116.4 122.74 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.929 HG21 HD11 ' A' ' 430' ' ' LEU . 2.6 t -134.58 146.2 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.0 OUTLIER -106.43 132.46 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.552 HG23 ' CG1' ' A' ' 414' ' ' VAL . 20.4 t -81.82 113.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.739 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.91 153.06 63.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.93 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 111.021 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.0 -34.54 32.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -154.26 144.55 15.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.91 18.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.15 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -92.96 -16.91 24.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -71.96 144.66 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -95.34 171.2 8.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 99.4 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.49 -3.44 34.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.639 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.3 m95 -124.22 146.46 48.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -134.01 169.67 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -87.71 112.12 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.739 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.23 165.75 23.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.737 HG22 ' HB2' ' A' ' 459' ' ' ASP . 7.2 p -129.89 143.82 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.281 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.41 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 2.1 mtmp? -76.98 159.77 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.434 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.3 tt0 -58.14 -40.57 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.737 ' HB2' HG22 ' A' ' 455' ' ' VAL . 60.4 m-20 -65.07 -32.4 74.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.564 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -50.74 -48.48 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -54.2 -25.36 22.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.462 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.3 OUTLIER -91.22 16.92 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 466' ' ' LEU . 0.0 OUTLIER -45.32 -21.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.462 ' N ' ' C ' ' A' ' 462' ' ' GLN . 3.5 tttt -57.98 -35.0 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.84 53.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.6 OUTLIER -71.84 -30.94 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.487 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.4 OUTLIER -54.6 -20.91 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.01 7.59 44.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 11.18 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 108.283 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.487 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 1.4 mtt180 -61.08 156.44 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.547 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -165.23 179.01 39.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -126.97 162.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.475 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 19.2 p90 -163.1 155.06 15.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 119.38 5.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.04 -35.95 79.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.624 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.3 OUTLIER -63.57 -26.17 68.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.943 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -87.94 1.55 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.943 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -132.17 177.67 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 145.46 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -77.81 141.18 39.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.757 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 77.7 t -112.69 116.77 47.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.61 108.34 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.997 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.35 171.16 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -166.44 153.33 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.04 110.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -163.22 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.61 142.83 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.03 -172.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 174.08 149.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 3.9 p -166.2 132.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -142.09 165.41 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.69 179.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.3 117.54 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -163.89 110.98 0.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.2 Cg_endo -74.96 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 288' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 179.78 170.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -179.83 -178.77 48.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -176.24 -177.07 44.96 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.04 177.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 292' ' ' THR . 10.0 t -172.2 110.51 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.71 2.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -173.25 174.28 45.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -176.8 174.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 296' ' ' THR . . . . . 0.605 ' O ' HD12 ' A' ' 297' ' ' LEU . 13.9 t -171.91 172.83 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 297' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 296' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.4 Cg_endo -74.98 161.79 38.26 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.6 p -114.25 104.67 54.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.886 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.407 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.33 -38.13 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.424 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 6.1 m-20 -114.74 155.44 26.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.99 161.22 53.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -75.04 136.5 20.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.99 142.25 27.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.794 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.15 -22.82 17.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.5 t80 -35.82 147.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.478 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.2 mtt -106.28 -69.36 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 36.7 p90 -160.08 176.51 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.571 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.2 OUTLIER -91.23 145.24 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.0 m -132.71 161.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.558 ' N ' HG23 ' A' ' 481' ' ' VAL . 0.0 OUTLIER -134.66 126.53 29.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.767 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -67.56 155.3 39.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -125.04 -1.92 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 90.0 m-70 -148.35 170.15 18.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 419' ' ' ASP . 9.8 p-10 -108.66 102.04 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.835 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -113.83 115.87 28.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -82.62 115.01 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.835 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -110.86 117.07 32.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 39.1 p -118.79 94.2 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.44 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.61 -175.64 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.1 t -77.62 -13.97 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.12 53.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.482 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 1.9 mm-40 -97.62 171.47 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.711 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -126.57 114.46 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.736 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.0 tt0 -81.59 139.23 35.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.976 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -130.22 142.91 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.45 ' CE ' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -123.76 129.91 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.25 99.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.41 49.82 1.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.474 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 6.9 t0 -112.7 168.63 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.557 HG23 ' CB ' ' A' ' 457' ' ' GLU . 1.6 m -118.57 125.37 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.976 HG21 HD11 ' A' ' 430' ' ' LEU . 90.2 t -136.75 146.17 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.598 HD22 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.57 127.21 55.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.624 HG23 ' CG1' ' A' ' 414' ' ' VAL . 38.3 t -74.42 120.97 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.687 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.56 153.24 80.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 440' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.22 -173.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.57 -33.04 42.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -158.45 147.45 14.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -22.57 14.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.71 -16.66 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.97 -14.49 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.485 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.41 149.35 25.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -99.04 172.56 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.64 113.93 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.43 -10.37 63.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.886 ' C ' HD23 ' A' ' 452' ' ' LEU . 4.1 m95 -117.82 149.75 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.886 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -140.38 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.5 OUTLIER -90.69 112.83 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.687 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -136.69 159.03 24.39 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.971 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.1 p -121.89 142.42 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.71 . . . . 0.0 109.303 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.503 ' HG3' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -73.5 165.97 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.557 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.4 tt0 -61.21 -43.28 99.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -41.59 78.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.971 ' HB2' HG22 ' A' ' 455' ' ' VAL . 34.0 m-20 -67.13 -31.13 71.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.598 ' CE3' HD22 ' A' ' 437' ' ' LEU . 3.7 t90 -50.41 -48.01 56.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 107.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -57.22 -25.26 58.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.468 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -87.54 17.46 4.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.468 ' HA ' HD22 ' A' ' 466' ' ' LEU . 4.1 t60 -43.13 -24.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.468 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.7 OUTLIER -59.79 -46.34 89.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 465' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -139.02 42.4 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -69.59 -29.58 67.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.01 -19.48 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -103.56 7.17 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 4.18 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 156.47 27.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.711 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -161.27 177.35 37.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -112.88 157.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -163.99 152.3 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.564 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -68.11 -30.95 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.69 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -67.55 -26.65 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.898 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.78 3.91 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.898 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.7 p -131.06 -179.98 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -135.93 158.5 44.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.3 mtm180 -84.57 139.72 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 415' ' ' GLN . 95.9 t -112.52 116.06 48.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.21 117.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.971 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -154.58 -178.66 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -158.9 -178.77 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.9 t -171.76 118.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -166.21 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.47 147.19 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.7 pp -118.42 149.34 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 136.0 23.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 13.0 p -123.69 158.43 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.56 178.97 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -163.56 -176.08 4.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.68 137.94 5.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.43 137.33 11.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -166.78 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -165.3 177.84 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -159.12 -175.54 30.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -160.83 -163.03 13.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -171.36 162.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 292' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 1.1 m -141.58 133.01 13.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 293' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -74.96 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -151.7 -167.91 15.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -161.67 118.96 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 6.3 p -87.5 -178.88 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.96 161.91 38.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.761 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.7 p -106.53 105.84 55.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.03 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.467 ' NE ' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.7 -16.2 25.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.467 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . 2.1 m-20 -99.13 148.65 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 159.97 28.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 134.57 17.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 143.62 29.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.32 -19.64 34.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.5 t80 -37.04 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.29 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 21.9 p90 -158.6 -179.72 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.579 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.4 OUTLIER -100.84 143.51 30.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.571 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -124.23 166.85 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.26 121.82 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.643 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.01 154.07 38.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.41 -1.11 8.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.499 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 80.0 m80 -148.75 169.78 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 t70 -107.81 104.38 13.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.796 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -114.22 109.87 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.99 113.82 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.796 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -106.5 117.77 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 6.1 p -116.34 92.24 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -143.56 -174.61 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -91.6 7.7 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -178.63 59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.1 OUTLIER -116.51 171.69 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 471' ' ' GLY . 2.4 tp -122.73 113.28 18.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.528 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.2 tt0 -80.87 135.75 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.003 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -127.58 146.34 50.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.29 125.66 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -29.99 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.91 50.83 1.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.587 ' HB3' HD12 ' A' ' 430' ' ' LEU . 3.7 t0 -113.3 166.91 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.579 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.4 OUTLIER -119.52 121.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.003 ' CG2' HD11 ' A' ' 430' ' ' LEU . 9.9 t -131.46 147.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.748 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.12 124.27 50.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.571 HG23 ' CG1' ' A' ' 414' ' ' VAL . 11.7 t -74.32 117.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.768 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -127.4 151.82 75.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.041 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.95 -173.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -83.17 -14.26 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.24 149.77 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -21.65 15.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.83 -20.47 61.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.96 -11.22 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.75 149.15 24.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -96.32 168.21 10.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.72 109.81 16.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.2 -2.5 56.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.9 OUTLIER -129.89 143.04 50.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -130.09 171.22 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.45 113.68 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.53 165.6 24.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.761 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.0 p -125.5 143.62 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -77.87 160.44 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.487 ' HB3' HG23 ' A' ' 435' ' ' VAL . 1.9 tt0 -58.22 -43.64 87.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.362 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -38.77 83.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.761 ' HB2' HG22 ' A' ' 455' ' ' VAL . 81.0 m-20 -63.31 -33.8 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.616 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 -53.5 -48.47 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -53.94 -26.14 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 1.7 mm100 -108.53 19.84 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -46.24 -21.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 5.7 ttpt -57.82 -30.37 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.0 42.5 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.32 -18.5 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -115.38 5.86 14.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 22.3 m -109.94 -20.53 12.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 128.79 28.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -149.6 179.82 26.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.79 153.62 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -161.74 151.42 13.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 120.3 6.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.59 81.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.761 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.1 m-20 -61.34 -24.88 66.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.861 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -89.06 2.52 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.861 HG23 ' CD1' ' A' ' 477' ' ' PHE . 2.4 p -132.38 178.18 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -133.15 147.43 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.53 138.19 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 73.9 t -109.04 122.72 39.0 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.07 109.23 0.2 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -157.38 -173.22 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -165.42 -179.01 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 276' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 276' ' ' THR . 8.0 t -161.38 107.41 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.75 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.19 158.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -170.16 142.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.45 168.8 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.9 p -174.67 144.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -151.29 162.17 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -177.97 162.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -154.44 143.66 15.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.86 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -176.21 97.19 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.465 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.3 Cg_endo -74.99 -173.58 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.433 1.754 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 288' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 177.4 173.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.33 -179.08 48.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 290' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 291' ' ' ALA . . . 177.15 172.72 42.02 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 291' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 290' ' ' GLY . . . 178.94 132.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 p -113.8 129.78 24.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 157.86 146.71 4.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -177.05 129.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 8.7 p -105.43 -179.09 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.4 Cg_endo -74.95 162.55 37.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.772 HG13 ' HB2' ' A' ' 476' ' ' ASN . 12.4 p -103.4 106.71 52.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.573 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 404' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.8 pt? -124.44 -42.27 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -116.28 155.88 27.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.61 160.13 48.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.6 18.07 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.97 137.29 21.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 91.68 -19.8 45.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.33 153.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.483 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.7 mtt -112.71 -73.98 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 13.5 p90 -160.22 179.92 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.595 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -98.04 144.23 27.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.888 HG22 ' O ' ' A' ' 436' ' ' VAL . 5.8 m -125.02 167.11 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -131.07 122.64 27.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.894 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -70.41 151.65 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -120.73 -4.4 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.526 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.3 m-70 -149.46 169.36 21.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.554 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 9.9 p-10 -103.73 102.56 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -108.35 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 26.9 m -74.96 112.7 11.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.09 117.15 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -119.32 93.06 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.436 ' HB3' ' OE1' ' A' ' 427' ' ' GLU . 9.5 t70 -139.58 -176.9 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.2 t -74.41 -9.77 58.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -167.89 52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.707 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -98.19 162.3 13.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.625 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -116.74 114.87 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.93 135.45 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.894 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.03 144.09 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -121.91 135.47 54.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.81 108.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 90.59 43.49 4.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.536 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 26.9 t0 -109.3 170.23 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.595 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -118.49 127.55 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.888 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.0 t -136.68 139.0 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.767 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -100.91 133.74 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.483 HG12 ' SD ' ' A' ' 411' ' ' MET . 13.4 t -84.82 112.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.738 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -120.23 153.74 55.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.88 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.564 1.823 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.47 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -83.63 -9.4 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.68 148.37 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.31 19.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.92 -27.81 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -9.27 58.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.3 tt0 -80.35 149.3 30.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -100.34 173.94 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.95 93.4 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.17 -8.05 28.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.59 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -120.27 132.75 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -116.72 168.43 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.0 OUTLIER -87.13 113.63 23.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -138.55 171.84 23.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.884 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.0 p -138.15 145.77 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.737 . . . . 0.0 109.261 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.512 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 7.7 mtmt -71.54 163.76 27.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -62.57 -46.3 88.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -35.79 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.884 ' HB2' HG22 ' A' ' 455' ' ' VAL . 89.2 m-20 -67.93 -33.2 74.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.767 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.63 -47.52 63.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -54.28 -26.23 27.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.3 mm-40 -91.28 17.15 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.73 -21.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -57.87 -30.66 66.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -146.07 56.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.08 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.89 -19.43 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -107.02 9.04 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.2 5.09 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 108.26 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 151.74 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.625 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -175.69 177.75 47.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 452' ' ' LEU . 0.6 OUTLIER -124.42 163.81 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 23.0 p90 -161.0 155.01 18.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 116.9 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.38 -31.0 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -67.47 -23.69 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.957 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -92.54 4.3 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.957 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -133.17 177.72 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -132.72 151.76 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -87.42 133.23 33.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.97 116.08 65.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 7.7 t -175.03 96.24 0.28 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.87 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -177.51 167.58 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -172.66 165.8 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.7 m -156.63 107.81 1.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.35 2.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 278' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 279' ' ' ILE . 3.6 tt0 176.27 144.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 278' ' ' GLU . 3.6 pt -155.2 -179.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.52 161.72 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.2 p -170.48 133.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -144.96 155.9 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -154.91 -177.72 6.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.85 106.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.08 7.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -137.81 147.24 56.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -165.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -158.94 169.81 23.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -163.32 176.42 39.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -178.6 179.18 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -166.47 173.5 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 46.9 m -151.24 110.61 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.36 20.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -128.42 -159.48 10.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -171.5 75.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 296' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 297' ' ' LEU . 3.3 m -152.05 148.43 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 297' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 296' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 308' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 309' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.94 161.54 38.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 310' ' ' VAL . . . . . 0.727 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.8 p -117.06 104.09 51.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.886 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' LEU . . . . . 0.415 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.1 pt? -120.07 -40.66 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.438 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 1.2 m-20 -106.32 153.71 21.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.42 161.05 43.8 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 138.7 23.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.0 131.8 14.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 95.58 -19.71 53.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 31.9 t80 -36.84 155.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -115.96 -68.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 14.0 p90 -163.85 176.46 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 138.57 33.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.3 m -119.31 167.25 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -135.04 124.2 24.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.661 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -68.78 152.87 44.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -122.63 -2.5 8.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.9 m-70 -144.72 169.91 17.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 19.9 p-10 -110.52 104.09 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.882 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.33 123.93 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -87.65 114.58 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.882 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.63 117.13 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -120.2 93.26 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 37.2 t0 -142.99 178.61 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.4 t -74.59 -13.49 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 7.1 p-10 -159.56 49.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 424' ' ' ASP . 3.5 mm-40 -96.69 170.08 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.558 HD13 ' HA3' ' A' ' 471' ' ' GLY . 5.0 tp -127.3 113.29 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.745 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.2 tt0 -79.77 137.59 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -128.17 143.45 51.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.504 ' CD ' ' OD1' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -126.61 126.36 43.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.82 102.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.98 47.8 2.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.504 ' OD1' ' CD ' ' A' ' 431' ' ' LYS . 3.2 t70 -108.95 169.69 8.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.22 121.07 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 430' ' ' LEU . 32.9 t -136.72 139.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.865 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -100.62 133.54 44.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.607 HG23 ' CG1' ' A' ' 414' ' ' VAL . 17.9 t -82.73 119.96 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.759 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.45 152.77 78.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.75 4.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.0 -176.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -17.32 42.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.02 148.0 1.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.9 16.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.27 -18.41 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.17 -15.71 27.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.34 141.6 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -89.6 171.41 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.73 113.16 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.92 -7.91 63.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.964 ' C ' HD23 ' A' ' 452' ' ' LEU . 2.7 m95 -118.48 149.47 41.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.964 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -135.12 167.55 20.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.33 112.71 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.759 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.97 173.08 21.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.865 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.7 p -137.43 144.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.441 ' CG ' HG22 ' A' ' 436' ' ' VAL . 5.2 mtmp? -75.11 160.88 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 460' ' ' TRP . 15.2 tt0 -58.52 -41.64 85.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.236 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -47.7 83.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 37.3 m-20 -58.86 -32.91 69.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.625 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.4 t90 -52.58 -41.78 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ASN . . . . . 0.485 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 1.2 m120 -53.47 -25.82 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.5 OUTLIER -92.93 18.78 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 7.6 t60 -45.35 -21.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.9 OUTLIER -58.35 -30.12 66.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -158.79 51.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.433 ' HA ' ' SG ' ' A' ' 469' ' ' CYS . 1.6 pt? -70.51 -29.88 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 4.8 tt0 -54.82 -17.9 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -102.4 6.62 40.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 469' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 1.6 p -129.68 8.25 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.7 OUTLIER -56.06 154.32 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.558 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -155.99 179.47 31.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.406 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.4 t -126.25 154.48 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -161.24 151.99 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 119.45 5.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -69.37 -32.93 72.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.727 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.4 OUTLIER -66.21 -24.86 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.888 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -89.9 2.66 54.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.888 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.6 p -129.84 -179.69 5.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -82.52 136.54 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.9 135.54 19.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -171.81 96.0 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 89.5 p -161.85 115.3 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -152.45 173.4 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -164.97 162.78 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 22.4 p -137.22 109.73 8.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.22 20.9 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -148.93 175.81 10.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 12.7 tt -167.03 164.51 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -158.33 166.75 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 54.5 t -151.69 144.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -149.05 154.29 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -168.13 166.27 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.588 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -154.94 121.23 2.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.67 15.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.82 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.36 114.84 6.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -156.2 -172.18 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -165.55 -179.85 39.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.74 -167.18 21.82 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -137.93 150.83 47.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 63.6 p -129.58 89.1 47.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -118.6 -141.61 6.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -160.91 162.75 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 70.2 p -129.68 165.95 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.7 70.9 8.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.22 36.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.772 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -119.06 167.25 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.53 120.91 36.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.2 42.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 107.97 7.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.88 137.68 36.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.76 48.24 2.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -71.3 150.05 45.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.15 167.58 21.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -141.72 176.48 21.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -75.04 152.47 40.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.2 Cg_endo -74.93 159.78 41.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.1 p -110.73 105.4 57.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.65 10.08 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.55 26.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 163.31 35.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.72 147.07 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -125.89 -70.69 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 317' ' ' THR . 2.4 t -166.76 112.62 0.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.01 32.25 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 54.2 p -157.54 175.38 14.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.36 175.88 5.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.7 124.95 12.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 322' ' ' VAL . 0.8 OUTLIER -135.09 117.2 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.6 148.31 42.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -146.84 177.69 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.91 176.19 12.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -173.51 149.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.49 152.08 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.67 174.24 10.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 77.8 p -130.68 -176.37 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.76 176.32 10.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -177.44 175.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.46 175.95 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 174.38 165.95 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 335' ' ' PHE . 9.2 t -172.47 145.21 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 334' ' ' THR . 2.1 m-85 -177.56 -173.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 96.0 t 56.45 99.69 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.45 16.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.545 1.813 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.83 97.99 5.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.345 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 340' ' ' SER . 1.3 mp -120.62 158.93 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 340' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 339' ' ' ILE . 0.4 OUTLIER 175.97 124.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.67 160.68 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 19.5 m -146.31 140.55 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 25.6 p -140.72 93.74 8.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.42 31.39 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 38.9 t -171.48 153.95 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.68 114.12 0.24 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -167.96 174.35 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.28 173.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -176.63 176.09 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 21.6 t -178.6 169.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.95 173.34 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 62.8 t -137.45 -64.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 65.42 165.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -152.33 61.88 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.1 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 45.03 -169.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 357' ' ' THR . 3.4 m 39.97 63.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.419 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -178.4 92.75 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.74 41.97 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -111.85 160.15 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -156.41 -61.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -46.97 162.76 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -152.15 172.72 15.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -77.39 166.7 22.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 143.49 38.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -172.95 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -150.69 -79.61 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 61.12 141.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 0.795 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 66.4 p -134.3 -174.4 3.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -144.97 -176.56 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -165.77 -179.88 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 52.3 m -167.23 169.82 12.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -154.65 179.7 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 375' ' ' ALA . . . -173.67 176.5 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 375' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 374' ' ' ALA . . . -179.47 170.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 21.7 p 174.78 165.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.961 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.15 177.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.78 -178.5 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 3.1 tt -170.92 90.96 0.46 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.41 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -160.27 168.19 25.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 2.3 p -160.68 132.42 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 4.6 m -105.11 156.48 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -162.04 123.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.53 173.06 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 12.9 t -163.41 122.51 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -117.7 125.78 27.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 389' ' ' ALA . 18.3 Cg_endo -75.04 -165.81 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 388' ' ' PRO . . . 177.18 134.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 31.4 p -142.63 167.31 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 4.3 p -170.71 136.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.25 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -158.05 154.87 28.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 117.66 75.15 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.5 p -112.93 -52.15 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.2 t -45.06 134.79 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -178.18 83.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 148.24 -118.14 0.95 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 89.21 -70.41 2.47 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 1.2 m 56.3 87.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.957 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -174.09 -164.96 29.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.151 . . . . 0.0 110.961 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -172.03 131.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -92.11 -175.07 42.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.571 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -70.82 -176.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 0.0 110.286 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.3 pt? -119.43 -41.29 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.403 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 52.6 m-20 -112.29 154.87 25.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 160.46 56.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.635 ' HB3' HD13 ' A' ' 466' ' ' LEU . 18.5 Cg_endo -74.93 134.65 18.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.99 143.47 29.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.43 -24.52 11.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.0 t80 -36.54 147.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.428 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.2 mtt -110.05 -67.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.491 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 21.7 p90 -160.65 174.81 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.579 ' HG3' HD22 ' A' ' 437' ' ' LEU . 0.2 OUTLIER -97.03 143.91 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.55 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.1 m -125.17 168.18 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.58 125.74 27.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.739 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -68.35 156.37 37.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -124.58 -1.62 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.467 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -148.61 169.7 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 2.2 p-10 -107.62 102.46 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 1.029 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.57 108.59 16.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -75.38 113.42 12.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 1.029 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.16 115.76 29.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -121.26 94.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 11.8 t0 -140.74 -176.4 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.5 t -78.17 -1.92 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.19 42.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.772 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 0.4 OUTLIER -92.36 165.05 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 454' ' ' GLY . 8.5 tp -124.39 113.54 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.503 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.5 tt0 -77.54 133.57 38.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.085 HD11 HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -125.67 144.78 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.77 131.36 51.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.26 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.19 48.38 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.53 ' OD2' HD13 ' A' ' 430' ' ' LEU . 22.7 t0 -110.35 169.07 8.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.577 HG23 ' HB3' ' A' ' 457' ' ' GLU . 0.6 OUTLIER -118.41 126.54 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.085 HG21 HD11 ' A' ' 430' ' ' LEU . 48.6 t -137.32 142.49 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.1 OUTLIER -102.77 129.41 49.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.55 HG23 ' CG1' ' A' ' 414' ' ' VAL . 4.9 t -80.5 113.32 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.754 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -123.42 152.67 64.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.95 4.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.0 -176.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -79.25 -22.24 45.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.13 148.12 4.31 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' PRO . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 441' ' ' PHE . 18.4 Cg_endo -75.01 -23.06 14.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -20.39 61.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.229 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.63 -9.58 53.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -86.48 148.81 25.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -94.81 174.47 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 108.3 18.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.01 -2.88 58.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.728 ' C ' HD23 ' A' ' 452' ' ' LEU . 2.9 m95 -123.38 147.85 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.728 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.1 OUTLIER -134.51 169.05 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.88 113.26 25.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.754 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.47 176.51 19.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.686 HG22 ' HB2' ' A' ' 459' ' ' ASP . 14.7 p -137.91 137.8 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.85 158.6 35.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.577 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.8 tt0 -58.06 -40.65 81.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -38.75 89.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.686 ' HB2' HG22 ' A' ' 455' ' ' VAL . 61.8 m-20 -63.91 -32.45 73.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.611 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.9 t90 -51.01 -47.42 61.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.07 -26.89 51.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.441 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -94.9 17.18 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -45.21 -23.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -56.91 -30.23 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.33 42.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 467' ' ' GLU . 0.1 OUTLIER -58.2 -37.57 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.702 ' N ' HD23 ' A' ' 466' ' ' LEU . 6.7 tt0 -56.53 -17.49 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -109.42 7.41 24.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.09 1.08 9.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.452 HH21 HD11 ' A' ' 466' ' ' LEU . 1.5 mtt180 -58.91 150.36 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.32 179.06 36.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 153.16 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -158.91 151.05 17.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.03 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.423 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -68.71 -33.98 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.641 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.31 -28.64 69.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.801 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -89.19 3.76 50.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.801 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -130.52 174.83 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.62 144.98 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -80.68 137.71 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 414' ' ' VAL . 38.3 t -110.32 116.85 52.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 171.63 108.77 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 272' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' A' ' 273' ' ' PRO . 0.4 OUTLIER -163.25 136.97 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 110.027 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 273' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 272' ' ' SER . 18.4 Cg_endo -74.97 -172.07 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -144.95 -177.97 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -153.73 -177.36 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 276' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -148.49 145.79 21.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 277' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -74.99 -171.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.89 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -144.86 122.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -104.4 178.23 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.65 137.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -142.82 170.34 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.49 -177.23 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.64 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -165.66 122.16 1.02 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -166.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -153.45 125.16 3.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -167.55 177.03 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -175.68 -179.2 46.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.23 -168.66 23.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -165.75 174.61 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.353 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 292' ' ' THR . 1.4 t -162.63 111.33 1.08 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.86 8.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 294' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 295' ' ' ALA . . . -101.82 -179.97 27.78 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 295' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 294' ' ' GLY . . . 179.91 174.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 15.9 m 62.57 158.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.3 69.2 0.41 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -68.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -165.29 139.88 4.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 26.5 t -120.73 129.22 25.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.86 42.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.99 69.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -98.71 149.28 22.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 304' ' ' LEU . . . . . 0.408 ' O ' ' CG ' ' A' ' 424' ' ' ASP . 1.7 tp -170.54 89.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.53 150.56 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.45 151.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 179.09 155.18 14.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.99 138.95 23.72 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.95 157.36 43.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.615 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.6 p -109.26 104.96 56.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -74.97 135.0 18.55 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.3 Cg_endo -75.06 160.77 39.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.19 20.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -45.02 128.96 7.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -101.26 169.47 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 8.1 m 61.21 114.27 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 85.08 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.16 -175.19 2.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -172.16 156.45 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -161.37 114.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 35.3 m -55.35 162.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -152.39 68.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -170.12 158.97 7.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -142.71 130.04 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -167.85 89.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.7 tp -153.02 140.05 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.8 tt -164.36 120.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.1 150.14 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.5 tp -132.45 129.26 39.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.13 174.07 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -145.7 168.9 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.75 161.89 29.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 50.3 p -138.33 177.73 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 335' ' ' PHE . 10.1 p90 -154.4 149.28 26.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 337' ' ' PRO . 40.4 t -127.96 125.24 23.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 337' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 336' ' ' VAL . 18.3 Cg_endo -75.0 170.61 20.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.522 1.801 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.2 -167.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.34 -48.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.88 106.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 9.1 m -126.42 -177.63 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 34.3 p 40.61 80.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 87.8 m -104.23 106.66 54.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.463 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.62 14.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.53 -166.32 1.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -110.31 133.81 20.97 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 149.17 36.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -152.92 -173.65 4.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.53 167.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . 65.11 91.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.17 167.06 20.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -117.33 98.39 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 72.5 t 63.77 147.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -161.23 72.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 129.12 166.07 11.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 162.97 163.99 16.93 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 38.3 p -138.89 -61.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.73 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -47.36 104.89 0.44 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 175.74 10.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.58 163.77 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -98.41 -51.74 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -142.38 -146.62 4.67 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -172.39 112.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.38 137.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.267 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.482 ' CB ' ' HD3' ' A' ' 366' ' ' PRO . 1.1 mt-10 170.58 -56.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.07 -54.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 51.76 59.12 8.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 60.94 107.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 3.2 t -147.79 53.37 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.424 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -140.68 160.54 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -161.72 -64.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 6.6 t 65.67 138.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -156.43 170.49 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -169.61 168.26 9.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -152.31 167.76 27.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 43.1 p -142.24 162.51 35.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.041 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 21.2 p -178.85 164.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.994 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.86 159.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.6 pp -171.44 95.22 0.42 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -133.27 139.86 47.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.45 179.55 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 9.8 p -158.99 151.68 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.75 -32.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 41.06 74.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.3 t -76.25 148.58 37.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -131.67 162.67 54.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.04 34.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -124.6 147.3 48.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 11.7 t -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 8.3 p -117.74 142.65 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -138.16 160.73 38.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 98.59 120.1 4.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.0 t -109.25 143.94 38.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 64.88 159.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.03 131.02 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 157.84 101.45 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -140.34 155.41 24.61 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 16.2 m -97.37 -60.23 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.005 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 121.69 92.54 1.19 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -141.16 102.18 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -150.76 175.93 29.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.542 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -74.1 -178.69 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.15 -39.42 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -109.66 153.68 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.57 160.91 49.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.462 ' HB3' HD13 ' A' ' 466' ' ' LEU . 18.4 Cg_endo -74.95 135.13 18.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.5 Cg_endo -74.98 143.82 29.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.55 -24.43 12.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.0 t80 -36.5 148.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 6.6 mtt -110.5 -65.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.2 p90 -163.2 178.39 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.554 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -99.79 145.36 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.654 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.5 m -125.14 167.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.1 118.79 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.661 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -62.83 152.44 36.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.42 -2.64 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.521 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -149.09 169.78 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 419' ' ' ASP . 0.1 OUTLIER -107.65 102.59 11.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.865 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.68 111.72 22.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.05 113.63 14.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.4 117.38 32.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 47.1 p -119.57 94.4 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 304' ' ' LEU . 24.4 t0 -141.66 -178.81 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.8 t -84.8 9.01 15.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.81 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.34 170.99 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.609 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -127.23 113.83 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.635 ' C ' HD22 ' A' ' 430' ' ' LEU . 1.7 tt0 -79.68 138.55 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.98 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -129.84 145.49 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.46 135.16 52.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.25 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.39 48.23 1.72 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.551 ' OD2' HD13 ' A' ' 430' ' ' LEU . 28.7 t70 -110.15 168.84 9.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 457' ' ' GLU . 3.4 m -118.45 124.48 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.98 HG21 HD11 ' A' ' 430' ' ' LEU . 10.9 t -135.85 144.26 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.0 OUTLIER -104.03 131.92 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.654 HG23 ' CG1' ' A' ' 414' ' ' VAL . 38.0 t -83.67 113.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.05 152.67 60.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.52 4.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -59.08 -174.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -81.22 -28.21 34.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.38 148.57 9.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.99 15.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -16.7 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.92 -20.33 22.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -76.99 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 449' ' ' GLU . 5.6 t0 -99.35 170.09 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 1.3 mt-10 -79.79 108.83 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.59 1.84 58.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.846 ' C ' HD23 ' A' ' 452' ' ' LEU . 4.2 m95 -126.73 153.48 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.846 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -141.85 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.65 113.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.64 174.69 20.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.873 HG22 ' HB2' ' A' ' 459' ' ' ASP . 8.6 p -136.93 141.99 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.68 159.97 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.594 ' HB3' HG23 ' A' ' 435' ' ' VAL . 8.2 tt0 -57.98 -41.36 82.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -39.59 88.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.873 ' HB2' HG22 ' A' ' 455' ' ' VAL . 70.3 m-20 -63.65 -33.35 75.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.542 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.2 t90 -51.3 -47.54 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -57.83 -27.08 62.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.466 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -91.99 17.54 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -45.27 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.3 OUTLIER -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 47.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.508 HD21 HH21 ' A' ' 470' ' ' ARG . 0.0 OUTLIER -64.06 -35.89 82.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.493 ' N ' HD23 ' A' ' 466' ' ' LEU . 8.3 tt0 -55.22 -18.12 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -108.93 8.37 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 1.76 9.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.508 HH21 HD21 ' A' ' 466' ' ' LEU . 2.7 mtt180 -61.46 151.51 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.609 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -162.03 -179.5 36.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.81 155.07 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -160.24 152.06 16.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 120.09 5.92 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.546 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -68.17 -36.44 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.615 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.1 m-20 -61.56 -31.23 71.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.794 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -85.47 1.68 47.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.794 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -128.79 171.17 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -130.62 148.64 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.448 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.8 mtt180 -79.51 139.26 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.505 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 87.4 t -110.92 116.04 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 172.45 96.03 0.1 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 19.0 t -173.23 136.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.784 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.3 41.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -115.26 -179.32 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -160.76 155.16 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.2 74.19 1.02 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.04 42.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.41 145.84 49.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 280' ' ' ARG . 3.7 mm -117.34 160.67 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.409 ' N ' HG22 ' A' ' 279' ' ' ILE . 9.7 tpp180 -134.02 141.49 47.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.98 126.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -127.25 157.09 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.55 175.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -156.52 148.49 17.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -173.08 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -168.25 112.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.34 14.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.78 124.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.99 -176.91 48.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 117.6 150.38 9.09 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.23 169.27 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 292' ' ' THR . 14.0 t -170.76 64.58 0.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 293' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.0 116.77 4.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 124.43 115.69 2.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -145.35 47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.6 p -116.03 103.14 10.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 110.407 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.87 98.7 6.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.27 21.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.48 63.24 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 47.6 m -120.7 94.86 48.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.69 41.34 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 78.6 p -156.3 60.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.65 132.23 44.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 67.98 81.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -102.12 150.7 22.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 145.54 31.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -133.7 -171.98 12.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.2 Cg_endo -74.98 146.95 33.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -75.04 160.88 39.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.654 HG13 ' HB2' ' A' ' 476' ' ' ASN . 8.2 p -107.46 104.53 52.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.33 42.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.24 42.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.783 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.2 Cg_endo -74.98 141.63 26.93 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 314' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.4 Cg_endo -74.99 72.4 4.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.57 79.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -112.31 123.07 49.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 5.0 m -47.0 110.5 1.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 61.07 5.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 74.3 m 63.99 158.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.96 143.14 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 321' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 322' ' ' VAL . 4.7 pm0 -74.59 146.97 42.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 321' ' ' GLU . 17.9 m 43.28 -161.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -166.95 -63.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.75 166.75 11.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -143.04 89.23 2.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 40.59 87.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.2 tp -67.56 141.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 329' ' ' SER . 2.6 pp -159.04 167.75 28.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 329' ' ' SER . . . . . 0.405 ' N ' HD12 ' A' ' 328' ' ' LEU . 4.6 t -163.64 144.15 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 330' ' ' LEU . 2.2 pp -163.86 154.7 15.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -167.06 168.59 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.23 145.63 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.28 166.6 31.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 5.7 m 62.95 124.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.432 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.819 ' CD1' HG12 ' A' ' 336' ' ' VAL . 0.1 OUTLIER -177.87 -179.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.819 HG12 ' CD1' ' A' ' 335' ' ' PHE . 6.0 p 32.21 82.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.76 169.24 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 3.7 pt -116.35 170.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.34 162.86 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.52 170.69 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 12.2 t -138.24 153.75 49.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.36 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 1.6 m -136.59 88.54 19.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.9 30.66 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.485 1.781 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.55 127.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -169.56 140.94 1.88 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 167.26 27.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -177.07 112.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -148.06 155.61 41.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -128.04 101.74 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 81.1 p 179.07 130.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.48 -59.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 4.6 p -43.43 -42.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -66.83 -59.17 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 135.48 141.16 4.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -144.3 -161.29 8.89 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 13.6 t -135.71 149.13 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 65.52 152.07 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -168.36 83.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . 56.91 175.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -170.61 85.8 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -164.88 140.6 5.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.773 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -179.18 131.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -166.92 109.07 0.65 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.66 8.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -160.08 -87.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.59 133.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 9.8 t -165.57 139.61 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -176.23 169.71 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -176.34 169.77 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.3 125.9 22.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -159.35 170.14 22.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . 61.0 174.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . 65.29 70.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 28.5 t -174.99 118.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 18.6 p -159.5 -63.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 10.6 m 66.61 139.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.58 91.07 0.4 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.29 39.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -108.68 143.19 38.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.89 171.55 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 83.8 t 63.04 117.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.77 -31.14 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.84 110.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 9.7 t -130.99 151.86 50.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -127.32 145.59 54.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -174.37 127.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 18.7 m -156.44 143.4 18.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 391' ' ' VAL . 2.6 p -166.6 53.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -131.22 125.57 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -173.56 -156.45 13.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.7 t -143.93 140.7 29.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.441 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 10.7 p -48.03 143.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -151.81 111.01 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 146.0 77.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.127 . . . . 0.0 110.989 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -119.29 -78.01 0.56 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 4.3 m 62.45 131.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.967 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 401' ' ' ALA . . . 86.03 169.29 45.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 400' ' ' GLY . . . 75.32 -74.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -69.79 173.78 37.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.49 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -74.6 -173.33 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -41.67 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.77 155.55 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.22 160.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.413 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -75.01 134.38 17.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.94 142.88 28.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.23 -22.61 18.51 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.2 t80 -36.48 152.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -113.59 -67.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 18.9 p90 -160.87 -179.78 7.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.632 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -100.04 146.12 27.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 436' ' ' VAL . 6.3 m -125.87 166.21 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.1 OUTLIER -134.24 118.72 17.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.812 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.72 151.05 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -121.16 -3.35 9.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.2 m-70 -147.75 169.7 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.635 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -107.64 103.36 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.951 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -116.2 109.71 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.2 m -76.78 114.06 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.426 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.951 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.76 115.43 28.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 423' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' A' ' 423' ' ' THR . 0.5 OUTLIER -120.6 93.82 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 11.3 t0 -140.6 -175.51 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.1 t -79.19 -4.88 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -166.76 42.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.723 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -91.85 164.94 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 10.5 tp -124.78 112.86 17.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.746 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.3 tt0 -77.56 137.57 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.908 HD11 HG21 ' A' ' 436' ' ' VAL . 4.6 mm? -130.65 143.75 50.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -125.56 129.69 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.87 104.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.73 47.02 2.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.539 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 35.5 t0 -110.25 169.86 8.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 457' ' ' GLU . 2.3 m -119.47 125.48 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.908 HG21 HD11 ' A' ' 430' ' ' LEU . 12.7 t -136.83 145.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.722 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -108.7 129.42 55.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.462 HG23 ' CG1' ' A' ' 414' ' ' VAL . 22.6 t -79.27 119.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.754 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.17 153.27 76.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.09 -177.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.77 -31.2 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.69 146.37 16.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.38 16.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.76 -25.51 63.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -14.97 45.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.0 tt0 -77.97 146.2 35.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -98.97 169.26 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.83 106.73 14.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.4 58.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -121.0 137.42 54.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.937 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.96 170.58 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.7 OUTLIER -87.9 113.03 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.754 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -129.55 175.39 19.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.722 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.5 p -136.83 139.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 0.724 . . . . 0.0 109.294 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -76.91 159.85 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.641 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -57.85 -37.31 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -42.83 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.448 ' HB2' HG22 ' A' ' 455' ' ' VAL . 1.2 m-20 -62.69 -32.26 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.267 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -51.06 -47.49 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 107.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -53.79 -26.35 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -89.03 16.1 7.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 13.5 t60 -45.37 -22.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 462' ' ' GLN . 30.0 pttt -58.7 -39.13 79.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -148.46 51.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -30.31 67.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.483 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 23.6 mt-10 -55.54 -17.62 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.72 7.8 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.69 10.74 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.483 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.4 mtm180 -60.63 154.28 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.427 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -161.6 -179.03 36.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -129.37 160.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.452 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.3 p90 -162.1 156.34 18.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.937 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.8 tt0 -68.07 -33.11 73.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.654 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.61 -32.24 73.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.939 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -82.38 1.81 35.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.939 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -131.12 175.55 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -129.56 154.48 47.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.522 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 11.4 mtt180 -89.67 140.74 29.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.632 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 45.3 t -112.39 116.03 49.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 111.034 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -179.02 116.72 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.118 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.75 116.29 0.52 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.968 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.44 2.88 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -128.26 -174.69 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -149.96 -178.06 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.5 t -155.07 133.16 6.81 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.052 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -144.66 150.18 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.8 mp -126.79 135.54 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -123.36 167.87 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.9 p -161.2 127.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -118.07 169.6 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.17 173.81 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -161.97 107.11 1.15 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -120.84 155.96 56.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -130.16 172.86 11.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -118.89 -160.41 11.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -153.68 -147.47 4.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -164.23 -176.08 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 8.8 t -143.99 144.94 28.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 293' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.4 Cg_endo -75.04 -169.04 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.9 -160.31 10.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -166.55 155.16 10.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.0 m -127.98 133.11 49.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 115.67 44.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.06 3.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 168.28 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.83 138.85 21.68 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.093 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.55 35.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 40.5 t -131.64 84.14 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.021 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.62 141.14 57.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 66.9 100.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.36 140.26 37.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.05 124.04 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -118.26 159.87 14.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.86 40.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.97 39.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 476' ' ' ASN . 11.3 p -115.04 103.81 54.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 153.71 41.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.26 28.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.45 1.763 . . . . 0.0 110.972 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 120.34 6.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 135.52 19.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.1 160.34 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -137.28 153.56 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 3.0 m 57.65 90.79 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.05 39.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 319' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 320' ' ' LYS . 83.3 p -169.52 171.72 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 319' ' ' SER . 0.0 OUTLIER 29.73 66.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -105.24 8.98 34.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 55.7 t -136.05 110.64 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.28 123.81 23.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -124.5 77.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.89 130.49 55.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.53 131.33 31.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 2.5 tt -97.71 162.98 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.02 155.8 49.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 3.6 t -170.19 145.27 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.44 175.13 8.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -158.27 164.67 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -165.69 169.65 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -147.49 170.04 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 8.8 t -169.16 143.86 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.12 156.21 37.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 336' ' ' VAL . 14.5 p -122.88 114.44 29.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.87 3.76 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.0 173.49 10.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.3 tt -169.03 145.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.7 t -141.63 169.84 16.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 11.8 p -174.09 137.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 69.3 p -101.69 178.21 4.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 5.2 t -160.88 146.24 10.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.78 8.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 35.6 p -174.54 151.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.057 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 61.93 100.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 178.37 7.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -133.31 177.89 7.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 68.58 163.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -160.0 -64.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.05 85.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -175.61 115.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 51.9 t -146.08 -65.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -85.61 149.36 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -169.17 -173.23 36.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLY . . . . . 0.639 ' O ' HG22 ' A' ' 357' ' ' THR . . . 112.83 -86.15 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 357' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 356' ' ' GLY . 15.3 t 47.12 -162.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -130.33 99.43 19.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.86 8.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -174.6 60.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -177.42 170.83 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 159.13 157.98 8.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -148.78 -65.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.46 162.6 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.07 156.53 64.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -64.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 150.58 -165.99 30.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -139.12 171.2 14.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 25.1 m -125.56 136.52 53.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -99.3 -179.66 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -135.73 -174.78 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 5.4 t -137.86 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.5 179.52 7.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -133.01 177.94 7.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -163.07 -176.72 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 1.5 t -153.17 174.13 14.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -179.49 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.052 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.46 177.27 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.97 106.7 10.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 380' ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' ' 381' ' ' ALA . 18.4 Cg_endo -74.99 -61.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 380' ' ' PRO . . . 67.92 146.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 93.8 t -147.55 133.31 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.59 106.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.2 t -103.0 142.29 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -128.69 164.73 22.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 75.1 p -139.92 -174.63 3.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -153.68 94.67 2.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -175.18 2.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 390' ' ' THR . . . 65.72 143.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 389' ' ' ALA . 1.4 t -179.66 50.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.06 168.71 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 23.5 p30 177.39 164.22 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -132.35 143.95 15.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.0 t -170.88 159.32 6.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.7 t 62.36 115.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -178.94 114.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -137.52 -148.27 5.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 157.81 108.71 0.27 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 41.3 t -109.96 146.01 35.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -111.73 -112.39 3.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -93.5 -64.43 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 72.93 -168.35 53.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -72.3 -178.38 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.21 -38.72 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -115.97 154.75 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 160.38 59.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 134.39 17.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.565 1.824 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.03 144.5 30.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.49 -22.6 12.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.8 t80 -36.82 151.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -112.45 -69.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 21.6 p90 -160.56 175.87 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.556 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -95.72 145.8 25.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.663 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.3 m -128.62 163.75 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -132.23 120.12 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.727 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -64.41 156.27 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.56 0.02 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 84.1 m-70 -146.2 169.79 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.611 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -110.17 101.96 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.856 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -114.74 112.22 22.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.36 112.78 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.856 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -107.46 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 43.3 p -119.39 93.94 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -141.99 -178.01 5.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.6 t -79.83 -3.49 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.4 OUTLIER -170.53 46.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.86 171.17 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 7.8 tp -125.42 117.4 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.684 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.1 tt0 -84.09 138.34 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.057 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -130.49 145.66 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -127.83 129.14 46.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.46 98.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.66 46.56 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.543 ' OD2' HD13 ' A' ' 430' ' ' LEU . 33.3 t70 -110.77 163.67 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.791 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.1 m -113.52 126.53 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.057 HG21 HD11 ' A' ' 430' ' ' LEU . 54.3 t -137.33 145.17 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.679 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -107.42 126.35 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.663 HG23 ' CG1' ' A' ' 414' ' ' VAL . 42.2 t -76.72 118.67 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.777 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.63 152.59 74.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.67 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.58 -172.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.466 ' O ' ' ND2' ' A' ' 443' ' ' ASN . 0.0 OUTLIER -82.5 -26.62 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 442' ' ' GLN . 0.9 OUTLIER -166.95 147.66 5.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.06 19.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.04 -13.41 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -97.18 -22.27 16.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -75.02 145.13 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -95.06 168.63 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 111.61 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.28 -11.87 63.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.9 m95 -116.06 149.35 39.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -139.14 172.14 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.74 113.13 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.777 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.0 175.61 19.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.548 HG13 ' HG ' ' A' ' 437' ' ' LEU . 9.1 p -137.94 136.48 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -73.05 160.14 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.586 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.7 tt0 -58.17 -37.88 75.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -45.07 88.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 8.2 m-20 -60.18 -31.69 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.679 ' CE3' HD11 ' A' ' 437' ' ' LEU . 4.3 t90 -50.93 -47.96 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.042 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -55.74 -25.81 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' A' ' 464' ' ' LYS . 63.2 mm-40 -92.11 17.18 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 6.8 t60 -45.73 -22.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 462' ' ' GLN . 6.7 tttm -58.21 -34.69 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.76 53.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.674 HD21 HH21 ' A' ' 470' ' ' ARG . 0.1 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.46 ' N ' HD23 ' A' ' 466' ' ' LEU . 7.1 tt0 -52.81 -34.52 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -96.54 9.53 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.11 5.07 8.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.674 HH21 HD21 ' A' ' 466' ' ' LEU . 4.9 mtt180 -62.46 154.99 26.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.01 -179.69 34.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.61 155.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.432 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 15.1 p90 -163.82 153.18 12.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 119.95 5.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.6 OUTLIER -67.19 -42.19 84.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.781 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -57.17 -28.91 63.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.873 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -83.91 2.44 38.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.873 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.15 175.62 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.02 144.01 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.7 mtt180 -80.64 135.48 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.494 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 57.9 t -106.5 115.53 60.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 67.82 70.18 1.2 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 59.5 p -177.3 111.86 0.23 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.553 0.796 . . . . 0.0 110.008 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.67 2.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -158.07 175.16 14.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -171.06 177.16 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.62 109.63 0.96 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.41 154.63 23.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.6 tt -166.56 156.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -168.36 136.77 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.49 137.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -153.51 140.49 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -171.93 153.42 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.568 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.11 109.51 0.41 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.84 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -177.73 91.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.3 Cg_endo -74.97 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 288' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 178.12 161.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 157.05 168.71 20.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 158.91 147.12 4.75 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -178.08 143.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.9 m -159.79 122.92 1.95 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 295' ' ' ALA . . . -174.45 -126.23 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 295' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 294' ' ' GLY . . . 71.55 152.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 13.4 t -168.66 157.47 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -162.06 93.2 1.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -179.78 5.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.777 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.19 126.58 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 300' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 301' ' ' PRO . 0.3 OUTLIER -120.92 138.13 27.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 301' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 300' ' ' SER . 18.4 Cg_endo -74.98 157.1 43.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.001 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 20.9 t -135.44 158.75 43.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.536 ' CB ' HG21 ' A' ' 425' ' ' THR . 1.3 pt20 -77.99 131.64 37.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 304' ' ' LEU . . . . . 0.411 ' O ' ' OD2' ' A' ' 424' ' ' ASP . 2.8 mt -140.38 51.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 305' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 306' ' ' LYS . 0.0 OUTLIER -87.35 121.55 29.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 306' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 305' ' ' ARG . 1.7 mmmt 166.28 162.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 151.17 162.0 10.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.75 35.92 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 161.08 39.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 476' ' ' ASN . 10.5 p -106.02 105.79 54.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.15 36.26 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.73 37.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.09 21.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.9 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -164.43 75.21 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 5.4 t60 53.82 76.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 18.6 m -81.46 114.01 46.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.27 20.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.13 119.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.4 111.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -106.37 150.49 25.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.92 162.3 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.98 172.68 7.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -152.91 159.32 42.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.27 155.31 13.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.86 162.22 41.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 3.3 tt -172.88 163.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.73 161.72 42.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.93 140.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.03 146.05 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.42 171.55 14.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.52 171.58 16.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.57 164.97 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 15.2 t -166.73 157.1 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -167.85 155.78 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 6.0 p -164.26 122.03 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.67 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' GLU . . . . . 0.415 ' C ' HG23 ' A' ' 339' ' ' ILE . 0.4 OUTLIER -169.52 130.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 339' ' ' ILE . . . . . 0.535 ' C ' HD12 ' A' ' 339' ' ' ILE . 2.3 pp -152.08 152.59 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 15.1 t -171.33 157.95 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' VAL . . . . . 0.415 ' C ' ' CG2' ' A' ' 342' ' ' THR . 5.6 p -167.47 146.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' THR . . . . . 0.415 ' CG2' ' C ' ' A' ' 341' ' ' VAL . 11.9 p -148.58 165.4 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 343' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 343' ' ' THR . 13.0 t -169.25 104.38 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -176.93 3.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.39 168.84 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -175.16 96.67 0.27 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.86 38.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.011 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -174.21 123.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 350' ' ' ALA . 0.0 OUTLIER -177.07 160.42 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 350' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 349' ' ' GLU . . . 70.42 120.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 73.7 p -168.96 126.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.052 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.19 178.52 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.347 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 353' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 354' ' ' ALA . 4.1 m -121.64 -47.24 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 354' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 353' ' ' VAL . . . 59.24 178.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 165.1 177.26 37.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -175.07 -169.72 37.25 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 1.9 t -139.43 126.19 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 110.358 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -177.1 152.42 1.0 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.25 6.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -126.86 156.28 41.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -129.02 -53.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 161.81 -123.1 1.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 66.52 175.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -102.75 -160.72 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 366' ' ' PRO . 1.8 mt-10 169.43 -55.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -74.97 151.3 39.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 160.75 -164.38 34.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.66 143.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 8.8 t -158.04 159.42 36.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -129.27 176.16 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -154.51 174.09 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 50.9 p -152.31 152.82 32.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.57 172.57 12.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -154.23 156.04 36.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -146.17 171.12 15.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 46.1 t -174.28 149.84 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.6 166.01 34.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.944 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.86 171.42 18.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.032 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 92.14 8.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.44 6.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -153.64 177.89 10.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 13.9 p -160.18 124.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.05 149.69 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.8 p -153.56 148.65 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.21 -166.52 2.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 17.2 m -138.91 119.34 13.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -128.24 145.65 56.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 160.21 40.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -84.29 153.8 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.5 m -130.66 136.52 48.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.99 141.22 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -101.6 157.47 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -74.46 169.32 54.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.4 m -146.11 147.43 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.422 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 3.2 p -103.82 135.32 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -111.97 -59.44 1.99 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.01 -123.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 111.051 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -140.72 162.92 26.62 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 4.1 m -97.28 154.2 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.753 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 117.04 -148.84 18.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 64.29 122.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 117.29 176.91 17.6 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -71.86 -178.9 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 0.7 OUTLIER -118.21 -38.57 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 14.4 m-20 -115.51 154.72 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.58 159.59 55.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.57 -22.16 18.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.2 t80 -36.47 150.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.5 mtt -112.6 -69.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.7 p90 -158.76 -179.61 8.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.83 145.35 28.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.645 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.9 m -125.05 167.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -133.79 124.51 26.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 1.061 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -67.92 154.16 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -122.87 -3.48 8.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.0 m-70 -149.62 170.08 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.01 101.94 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.871 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.4 111.67 22.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -79.53 114.48 18.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.871 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -111.34 117.52 33.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.1 p -119.09 94.53 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 0.7 OUTLIER -140.7 -175.17 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.536 HG21 ' CB ' ' A' ' 303' ' ' GLN . 7.9 t -74.46 -16.6 60.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -164.38 53.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 2.3 mm-40 -94.34 171.35 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.526 HD13 ' HA3' ' A' ' 471' ' ' GLY . 4.6 tp -122.71 114.91 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.633 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -85.15 131.29 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.061 HD12 ' HB2' ' A' ' 416' ' ' ALA . 2.7 mm? -121.95 146.69 46.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 127.59 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.95 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 92.85 50.21 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.549 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 4.2 t70 -110.64 168.49 9.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.619 HG23 ' CB ' ' A' ' 457' ' ' GLU . 5.4 m -120.1 117.41 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 455' ' ' VAL . 2.8 t -128.77 149.13 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.741 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.07 133.2 53.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.645 HG23 ' CG1' ' A' ' 414' ' ' VAL . 37.5 t -83.39 118.64 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.48 153.86 75.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 2.0 pm0 -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.4 OUTLIER -169.69 145.11 2.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.51 17.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -67.67 -28.51 67.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 3.0 mt-10 -91.05 -15.86 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.6 tt0 -74.14 133.74 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.481 ' CG ' ' HB2' ' A' ' 451' ' ' TRP . 2.9 p-10 -80.73 175.78 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 120.48 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.26 -15.42 57.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.2 OUTLIER -123.45 159.71 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -143.88 170.95 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.427 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.1 112.76 23.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.03 175.82 20.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.741 HG13 ' HG ' ' A' ' 437' ' ' LEU . 13.1 p -137.89 145.14 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.257 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.549 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 2.4 mtmp? -80.66 160.05 25.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.619 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.5 tt0 -56.88 -41.79 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -40.2 95.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.016 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.678 ' HB2' HG22 ' A' ' 455' ' ' VAL . 65.1 m-20 -63.14 -32.83 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.729 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.72 -47.68 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.79 -26.98 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -94.26 16.45 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.11 -23.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -58.4 -31.65 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -130.52 43.0 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 2.9 pp -55.05 -31.2 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -24.02 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -112.03 7.7 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 -10.4 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 8.0 mtm180 -60.22 149.07 34.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.526 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -162.22 -179.33 36.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.415 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -124.66 152.96 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -157.76 149.23 16.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 119.57 5.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.39 -31.83 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.662 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.7 OUTLIER -66.22 -30.35 70.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.849 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.48 3.75 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.849 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -130.79 176.43 8.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 146.83 51.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.3 140.62 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.55 115.75 48.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -125.49 -142.29 5.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.82 101.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.99 151.15 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -177.07 151.74 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 276' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 276' ' ' THR . 10.0 t -174.88 108.89 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.97 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -169.88 153.25 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 5.6 tt -174.15 158.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -178.74 100.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 281' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 282' ' ' ASN . 3.3 t -103.14 158.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 282' ' ' ASN . . . . . 0.405 ' N ' ' CG1' ' A' ' 281' ' ' VAL . 15.6 p-10 -168.07 148.88 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -171.28 149.05 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -176.1 115.96 0.28 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.61 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.15 116.8 1.1 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -178.72 4.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.82 159.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 121.36 146.05 7.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 167.19 105.48 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -172.33 124.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 0.0 OUTLIER -131.39 153.14 81.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 293' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 177.94 7.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 179.6 87.25 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -130.54 161.0 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.7 t -149.55 53.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.12 114.85 60.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 7.4 mttm 56.34 69.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 36.7 p -89.19 135.72 31.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.04 13.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 8.6 t -71.66 101.49 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.513 ' CB ' HG21 ' A' ' 425' ' ' THR . 9.6 pt20 -89.92 149.18 22.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 4.4 mt 66.38 101.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -100.37 123.76 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 306' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 307' ' ' GLY . 0.0 OUTLIER -109.2 143.72 38.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 307' ' ' GLY . . . . . 0.407 ' N ' ' HE2' ' A' ' 306' ' ' LYS . . . -153.2 168.73 32.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.2 Cg_endo -75.01 147.71 34.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.99 161.87 38.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 476' ' ' ASN . 11.5 p -109.26 105.32 57.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.02 155.37 42.81 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 313' ' ' PRO . 18.0 Cg_endo -75.0 141.72 26.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -75.0 160.38 40.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 66.48 6.04 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -148.76 154.08 39.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -101.07 146.27 27.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.495 HG23 ' HD2' ' A' ' 318' ' ' PRO . 1.5 m -130.43 139.97 37.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 318' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' A' ' 317' ' ' THR . 18.1 Cg_endo -75.02 137.55 21.83 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 1.6 m -173.26 85.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.11 156.57 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.84 126.28 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 16.7 m -89.35 155.02 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 152.72 25.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -150.96 150.09 30.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -161.56 146.05 13.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -171.96 138.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -173.27 120.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.754 HD22 ' C ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -168.53 145.02 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 57.7 p -174.78 140.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 331' ' ' PHE . 3.5 tp -169.19 157.62 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 330' ' ' LEU . 0.6 OUTLIER -175.4 147.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -175.79 148.96 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -178.1 141.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.0 t -171.71 140.3 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -173.29 158.61 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 336' ' ' VAL . 12.6 p -172.11 115.96 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -178.2 82.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 23.9 pt -106.79 162.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.07 124.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.957 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 13.5 p -169.8 141.56 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' THR . . . . . 0.482 HG22 ' HD3' ' A' ' 344' ' ' PRO . 2.7 m -154.67 149.4 26.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 6.2 m -159.58 86.29 2.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.435 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' PRO . . . . . 0.482 ' HD3' HG22 ' A' ' 342' ' ' THR . 18.3 Cg_endo -74.95 -175.62 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 67.6 p -173.55 171.49 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 173.45 94.18 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.93 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -174.81 150.12 1.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.4 145.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -169.17 157.01 7.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.99 152.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -149.08 115.64 5.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 10.0 m -100.63 166.19 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -154.35 151.07 28.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -172.37 168.69 41.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -178.26 -92.64 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 359' ' ' PRO . 17.6 m 61.88 84.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.776 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 358' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -51.08 -53.49 47.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.597 ' O ' HG22 ' A' ' 357' ' ' THR . 18.3 Cg_endo -75.04 178.57 7.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 62.45 165.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -54.1 113.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -79.76 80.7 1.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -105.48 143.63 33.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -150.72 168.33 24.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.54 120.42 67.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -41.85 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 128.57 -83.62 0.33 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 75.8 -58.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 66.9 p -69.39 108.69 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.395 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -158.7 130.58 6.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -176.51 124.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.49 121.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.946 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -176.51 138.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -174.19 170.2 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -172.06 170.27 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 98.0 p -149.17 169.32 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.76 160.26 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.49 161.83 24.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' A' ' 380' ' ' PRO . 0.2 OUTLIER -155.6 154.86 28.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 380' ' ' PRO . . . . . 0.445 ' HD2' HD23 ' A' ' 379' ' ' LEU . 18.4 Cg_endo -75.01 -176.77 3.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -153.56 137.3 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 3.4 p -164.58 122.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 1.004 HG13 HG23 ' A' ' 384' ' ' VAL . 1.9 p -164.57 146.57 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 1.004 HG23 HG13 ' A' ' 383' ' ' VAL . 3.7 t 75.49 139.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -179.95 120.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 53.3 m -122.97 154.01 38.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -147.89 144.16 18.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 124.25 8.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -123.19 138.93 54.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 10.1 t -158.8 156.79 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 7.9 p -120.81 123.82 71.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -128.46 116.49 19.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -110.06 154.99 16.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 73.6 p -121.12 131.52 54.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 3.2 p -102.88 -4.97 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -176.5 164.31 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.51 -66.27 2.41 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.566 1.166 . . . . 0.0 111.031 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 174.87 100.36 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.46 162.06 32.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.009 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -146.0 73.92 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -54.81 165.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 90.83 -178.93 42.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.655 ' CZ ' ' CE2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -57.21 -169.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.244 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -50.27 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.543 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 8.5 m-20 -116.04 156.09 26.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.9 160.96 59.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.455 ' N ' ' NE2' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.98 134.34 17.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.0 145.25 31.21 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 85.2 -19.02 24.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.4 t80 -37.7 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.421 ' SD ' HG12 ' A' ' 438' ' ' VAL . 8.8 mtt -113.68 -70.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 23.1 p90 -161.47 176.88 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.654 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.684 HG11 HG23 ' A' ' 438' ' ' VAL . 1.0 OUTLIER -120.49 167.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -133.61 118.12 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.817 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.19 156.97 23.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -124.97 -1.03 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.489 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.5 m-70 -148.98 169.87 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.572 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -106.98 103.91 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 1.024 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.1 t80 -115.26 113.56 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 22.1 m -80.13 114.46 19.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 1.024 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 116.34 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.0 p -120.77 94.27 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.531 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 20.9 t0 -140.56 -178.49 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.513 HG21 ' CB ' ' A' ' 303' ' ' GLN . 9.4 p -74.58 -6.01 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -168.7 47.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.83 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 1.1 tp10 -93.75 169.93 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.674 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -128.48 112.48 14.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.687 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.5 tt0 -77.87 132.35 37.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 436' ' ' VAL . 2.8 mm? -122.8 145.06 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -125.05 134.26 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.38 99.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.03 47.74 2.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.548 ' OD2' HD13 ' A' ' 430' ' ' LEU . 29.0 t70 -110.15 169.34 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.654 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -117.16 124.82 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 430' ' ' LEU . 3.3 t -137.08 139.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.803 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -99.97 130.94 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.684 HG23 HG11 ' A' ' 414' ' ' VAL . 4.3 t -80.41 110.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -120.56 153.89 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -54.86 -173.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -90.12 -31.76 16.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -156.48 146.23 15.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.82 20.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.78 -23.89 63.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.82 -21.25 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 3.0 tt0 -72.03 143.48 49.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -104.21 157.17 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.4 108.03 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.61 2.91 56.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.585 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -130.96 150.2 52.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.919 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -140.98 170.45 15.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 2.9 ttm -89.03 113.62 24.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.07 161.33 24.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.803 HG13 ' HG ' ' A' ' 437' ' ' LEU . 13.9 p -120.86 144.97 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.424 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 0.9 OUTLIER -78.73 160.8 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.54 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.3 tt0 -58.25 -40.26 81.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.672 ' HB2' HG22 ' A' ' 455' ' ' VAL . 40.6 m-20 -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.683 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.9 t90 -52.73 -47.05 67.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -63.1 -23.57 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.9 OUTLIER -86.99 18.2 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 405' ' ' ASP . 2.0 t-80 -44.5 -24.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.55 -30.77 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -138.0 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 463' ' ' HIS . 0.2 OUTLIER -63.68 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -17.68 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 7.21 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.413 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -114.21 -11.2 12.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 4.8 mtm180 -62.95 153.11 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.674 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -169.52 179.85 41.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 473' ' ' PHE . 2.9 t -124.18 158.56 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 472' ' ' VAL . 17.5 p90 -164.02 153.17 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.585 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 120.59 6.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.554 1.818 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.919 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.0 tt0 -67.43 -39.43 85.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.685 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.6 m-20 -58.86 -30.72 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.88 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -84.37 2.96 38.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.88 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -132.76 176.27 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -136.53 151.25 49.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 2.7 mtt180 -83.43 137.78 33.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.13 117.49 58.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 140.29 106.03 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.95 116.78 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -169.59 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -172.68 165.84 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -176.52 171.6 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 276' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -171.58 143.42 1.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 277' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -75.01 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.1 91.6 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.42 149.52 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -109.52 171.36 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.74 155.9 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -163.12 150.17 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -173.56 164.86 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.64 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.49 104.58 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.86 151.93 22.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.5 2.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -172.45 140.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -151.22 -177.85 25.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.53 125.9 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -153.3 132.28 12.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 292' ' ' THR . 12.0 t -114.97 107.16 50.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.57 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 147.09 105.55 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -128.71 121.68 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 21.0 m -109.56 128.53 55.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.4 mp -95.16 112.09 57.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 126.9 29.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.95 120.18 29.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 157.02 42.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.59 81.43 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.408 ' HB2' HG21 ' A' ' 425' ' ' THR . 10.8 pt20 -95.35 139.02 32.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.3 100.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -102.16 147.51 26.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -116.88 143.98 45.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -144.51 161.83 27.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.97 150.44 38.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.428 1.752 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.99 161.62 38.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.0 p -111.91 105.4 56.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.09 43.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.97 21.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.35 40.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.793 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -44.54 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.31 59.19 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -116.92 153.0 33.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 318' ' ' PRO . 4.9 t -131.27 146.2 60.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 318' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 317' ' ' THR . 18.5 Cg_endo -74.98 119.92 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.428 1.751 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 319' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 320' ' ' LYS . 8.5 t -117.67 158.12 25.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 319' ' ' SER . 0.2 OUTLIER -178.84 147.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -106.22 170.0 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.5 p -139.39 153.38 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.0 120.24 41.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -54.84 176.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -65.06 177.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -161.63 170.59 19.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 14.0 mt 63.58 117.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.91 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 77.6 p -115.72 143.17 45.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.49 159.06 33.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -155.82 146.58 22.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.95 151.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -178.52 144.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.4 t -172.1 132.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 162.18 23.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 3.2 p -156.84 119.35 2.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.18 42.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -175.7 128.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 1.5 tt -171.53 149.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.4 m -134.58 -179.24 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.004 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 2.7 p -156.42 145.4 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 72.4 p -131.24 -173.97 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 25.3 m -156.36 90.46 2.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.6 161.05 41.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -155.45 117.57 2.36 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -164.09 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 349' ' ' GLU . . . -171.64 155.13 3.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 348' ' ' ALA . 1.6 mt-10 166.39 156.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.326 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -171.28 147.88 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 7.4 t -171.56 138.05 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -160.11 90.32 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 84.1 t -96.93 134.84 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -154.01 158.97 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 138.31 171.73 12.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 357' ' ' THR . . . 75.67 -177.0 50.12 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 357' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 356' ' ' GLY . 22.1 m -38.49 143.24 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -64.49 116.11 25.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -177.03 -61.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -176.51 174.63 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -179.24 147.97 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -174.7 175.92 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.85 171.71 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -150.6 137.64 11.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -120.15 -120.0 2.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -146.24 148.1 32.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.766 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 6.4 t -144.44 132.52 21.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -60.37 165.67 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -78.49 -70.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.32 -64.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.11 101.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -150.13 169.86 20.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -174.04 155.57 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 53.8 p -173.26 169.34 4.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.26 170.66 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 88.5 p -119.02 169.61 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.6 94.47 2.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.03 32.15 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -107.39 -173.65 2.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 382' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 383' ' ' VAL . 9.1 p -147.55 161.45 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.411 ' N ' HG22 ' A' ' 382' ' ' VAL . 7.7 p -127.27 153.24 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.2 p -138.15 137.29 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -114.52 165.75 12.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 39.7 p -108.39 -167.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 388' ' ' PRO . 3.5 p90 -142.17 140.66 19.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 111.039 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 388' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 387' ' ' PHE . 18.2 Cg_endo -74.98 163.82 34.61 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -154.66 161.61 41.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 12.3 t -76.83 148.88 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.7 -63.07 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 59.88 93.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -83.06 -162.02 31.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.43 123.47 42.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 70.0 t -89.05 134.06 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.07 149.2 25.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -165.48 123.88 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 58.59 169.61 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 3.9 m -131.39 83.51 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -81.3 106.49 2.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -77.2 -53.82 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 76.4 -174.67 53.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.558 ' H ' ' NE ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -72.32 -171.6 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -124.84 -41.16 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -113.23 154.8 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.9 160.53 55.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.02 134.44 17.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 141.98 27.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.13 -22.84 24.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.7 t80 -36.75 147.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 111.007 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.416 ' CE ' HG12 ' A' ' 438' ' ' VAL . 7.7 mtt -108.76 -67.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 30.1 p90 -160.37 173.25 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.843 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -93.8 142.8 26.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.923 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.6 m -124.77 160.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.58 125.45 36.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.762 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -69.2 146.81 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.37 -1.75 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.485 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.6 m-70 -148.62 170.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 p-10 -108.05 106.14 16.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.877 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -114.88 111.65 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 8.7 m -80.19 113.82 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.877 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.24 117.54 32.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -118.35 94.24 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -141.04 -174.78 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.408 HG21 ' HB2' ' A' ' 303' ' ' GLN . 7.0 t -85.06 -0.25 53.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -172.46 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.404 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 2.7 mm-40 -93.72 170.01 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.687 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.5 tp -123.64 114.35 19.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.486 ' C ' HD22 ' A' ' 430' ' ' LEU . 4.3 tt0 -83.73 135.68 34.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.063 HD11 ' CG2' ' A' ' 436' ' ' VAL . 3.7 mm? -128.79 143.98 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.95 124.83 40.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -27.23 108.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.82 48.5 3.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.68 ' HB3' HD12 ' A' ' 430' ' ' LEU . 6.0 t0 -107.03 169.09 8.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.843 HG13 ' HE3' ' A' ' 413' ' ' LYS . 13.9 t -119.31 114.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.063 ' CG2' HD11 ' A' ' 430' ' ' LEU . 68.9 t -129.65 136.17 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.8 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -102.74 128.61 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.661 HG23 ' CG1' ' A' ' 414' ' ' VAL . 45.5 t -76.65 120.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.768 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.36 153.08 80.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.6 -175.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -26.22 35.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.15 148.67 9.62 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.86 16.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -19.93 62.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.75 -10.22 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.64 152.85 22.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.415 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 13.0 t70 -108.88 164.93 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 111.0 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.25 -5.24 58.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.56 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.4 m95 -126.41 153.21 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -143.59 172.36 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.406 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -91.2 114.04 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.0 172.37 21.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.8 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.1 p -132.57 139.4 49.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.462 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -75.79 160.39 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.33 -35.96 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -43.31 75.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.468 ' HB2' HG22 ' A' ' 455' ' ' VAL . 4.9 m-20 -62.43 -32.64 73.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.8 t90 -51.7 -47.64 63.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -55.44 -25.87 38.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -90.51 16.9 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -23.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -57.65 -29.98 65.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 465' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -146.41 50.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 467' ' ' GLU . 0.2 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.589 ' HG3' HD23 ' A' ' 466' ' ' LEU . 4.5 mt-10 -57.97 -17.65 18.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -110.44 7.49 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.99 0.77 9.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.53 146.11 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.687 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -157.5 -179.95 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.5 t -124.94 154.35 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 18.1 p90 -159.61 149.56 14.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 119.14 5.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.705 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.47 -35.91 80.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.718 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.2 m-20 -62.29 -28.45 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -88.55 3.1 51.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.776 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.78 173.58 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -127.35 150.24 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -85.54 137.36 32.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.504 HG21 ' HZ3' ' A' ' 413' ' ' LYS . 46.8 t -114.43 117.71 42.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -176.64 145.53 7.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 2.8 t -173.73 113.35 0.33 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -170.12 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -168.91 165.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -152.63 173.79 14.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 4.5 m -162.08 89.54 1.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -151.0 174.42 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.2 tp -171.79 119.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.42 161.55 37.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 281' ' ' VAL . . . . . 0.52 HG22 ' H ' ' A' ' 282' ' ' ASN . 9.8 p -169.64 170.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 282' ' ' ASN . . . . . 0.52 ' H ' HG22 ' A' ' 281' ' ' VAL . 1.8 t30 -170.21 165.36 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -162.32 175.88 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.559 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.87 109.14 0.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.63 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -148.19 140.81 14.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -176.0 2.65 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -155.5 160.33 40.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -167.63 171.75 42.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -154.12 -172.47 22.14 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.78 149.72 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 52.8 m -152.68 112.92 2.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.34 35.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -108.7 -78.52 1.07 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 63.88 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.7 t -161.58 152.71 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.18 86.4 0.8 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.98 21.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -110.87 119.46 39.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 10.7 p -95.14 138.31 22.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 150.42 38.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 47.5 t -86.14 104.86 16.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.4 ' NE2' ' HB2' ' A' ' 304' ' ' LEU . 0.0 OUTLIER -61.54 136.24 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 304' ' ' LEU . . . . . 0.4 ' HB2' ' NE2' ' A' ' 303' ' ' GLN . 0.3 OUTLIER 66.94 88.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -101.72 136.66 41.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 144.63 42.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -150.79 162.57 29.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo -74.96 145.98 32.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.2 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.779 HG13 ' HB2' ' A' ' 476' ' ' ASN . 13.6 p -106.44 105.13 53.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -74.94 149.35 36.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.4 Cg_endo -75.02 157.22 42.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.3 Cg_endo -74.99 151.61 39.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 314' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.2 Cg_endo -75.0 -54.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.09 91.6 5.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -114.41 140.94 48.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.622 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 4.9 t -57.09 118.13 22.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 72.67 4.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.88 174.76 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 116.38 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.15 138.57 49.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 322' ' ' VAL . 71.8 t -72.79 77.79 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 128.48 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.52 148.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -110.24 136.56 49.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.02 162.22 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.4 pp -75.29 -171.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.465 HD22 ' C ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -151.6 172.11 16.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 329' ' ' SER . . . . . 0.45 ' N ' HD22 ' A' ' 328' ' ' LEU . 0.4 OUTLIER -128.42 155.0 45.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.74 149.07 52.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 331' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 331' ' ' PHE . 10.0 p90 -129.16 167.83 17.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.15 160.24 31.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.98 166.06 23.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 22.0 m -150.49 146.26 26.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -148.08 164.61 33.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.49 124.63 5.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.06 7.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.91 148.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 6.3 tt -168.26 158.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.5 t -136.26 161.99 34.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.45 172.25 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 2.2 t -149.02 142.35 25.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 8.6 m -120.18 107.97 38.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -177.11 3.24 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 90.5 p -155.62 171.19 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -157.44 122.14 2.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.87 5.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -153.09 177.11 11.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.23 161.07 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -164.1 165.69 22.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 20.8 t -177.26 138.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.06 168.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 93.8 t 63.46 137.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -176.54 155.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 132.63 179.12 15.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 152.68 -122.64 1.33 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 41.0 m 61.35 98.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.381 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' GLN . . . . . 0.472 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER 171.18 -55.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 358' ' ' GLN . 18.3 Cg_endo -75.04 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -52.99 168.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -42.2 125.22 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 152.37 86.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -175.79 172.26 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 68.26 81.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.99 83.51 44.24 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.98 25.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -165.53 167.7 39.11 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.52 158.97 40.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.259 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 15.3 t -144.29 164.43 30.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -171.9 159.88 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -170.77 165.68 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 10.0 p -172.17 143.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 373' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 374' ' ' ALA . 0.0 OUTLIER -171.46 171.52 5.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 374' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 373' ' ' GLU . . . 179.81 139.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -172.71 153.19 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 53.5 p -179.42 164.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.93 164.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.5 114.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.11 92.69 6.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.25 6.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -150.34 132.45 15.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 7.2 p -170.81 125.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 9.1 p -167.54 153.78 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.3 p -163.19 140.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.78 128.75 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.093 . . . . 0.0 110.365 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.7 m 62.09 128.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 387' ' ' PHE . 20.4 p90 -106.86 138.13 19.7 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 388' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 387' ' ' PHE . 18.3 Cg_endo -75.05 131.04 13.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.442 1.759 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -168.62 64.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 72.6 p -126.37 62.66 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 32.8 m -105.12 126.81 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.18 148.41 37.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -129.36 152.32 19.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.152 . . . . 0.0 110.988 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.8 m 59.67 151.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 35.2 m -100.96 164.09 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -89.99 117.81 29.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -143.99 133.26 5.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 150.85 129.83 1.65 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.93 142.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 0.734 . . . . 0.0 109.98 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -105.06 -62.78 0.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -124.51 141.35 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -154.47 -166.51 15.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -104.98 137.47 42.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.18 -34.52 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.51 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 7.1 m-20 -72.63 155.03 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 158.56 31.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.94 136.22 20.25 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.457 1.767 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 137.34 21.55 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.2 -23.3 15.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 25.8 t80 -36.84 152.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -115.6 -66.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.527 ' CE2' ' HD3' ' A' ' 480' ' ' ARG . 36.6 p90 -158.88 176.05 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.443 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -100.15 150.28 22.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.529 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.2 m -131.92 165.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.4 121.4 22.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.757 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -64.41 153.01 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -122.75 -1.48 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.1 m-70 -147.99 169.89 18.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.567 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -107.68 101.43 10.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.868 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -111.67 112.4 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.6 m -80.61 114.39 19.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.868 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.92 116.4 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.0 p -118.6 92.73 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 7.6 t0 -142.87 -174.9 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -85.83 -7.41 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -158.28 40.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -98.72 161.78 13.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -123.29 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.78 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.9 tt0 -82.26 139.05 34.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.063 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -130.17 141.59 50.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -123.02 131.43 53.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.97 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.17 44.44 3.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.589 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.8 t0 -107.03 166.34 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.566 HG23 ' CB ' ' A' ' 457' ' ' GLU . 1.2 m -114.92 124.56 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.063 HG21 HD11 ' A' ' 430' ' ' LEU . 18.9 t -136.61 144.94 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.71 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.56 132.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.529 HG23 ' CG1' ' A' ' 414' ' ' VAL . 6.0 t -84.78 118.2 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.761 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.09 152.82 73.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.53 4.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.43 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.48 -10.46 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.33 148.48 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.27 -27.86 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -86.01 -10.99 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.01 149.26 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -102.22 169.7 8.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.16 107.34 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.29 -10.24 59.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -123.53 143.27 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -131.93 172.41 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.74 112.92 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.761 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -128.37 -179.97 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 459' ' ' ASP . 11.1 p -138.97 144.7 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.27 158.72 26.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.566 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.2 tt0 -57.32 -38.2 73.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -40.04 87.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.775 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.4 m-20 -60.0 -33.14 71.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.445 ' CD1' ' HD3' ' A' ' 403' ' ' ARG . 3.7 t90 -52.52 -47.94 66.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -67.52 -25.18 65.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -85.56 18.53 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.634 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.83 -24.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.619 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.91 -32.73 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -139.01 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -32.03 70.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -61.04 -23.73 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -109.38 7.39 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -8.7 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -61.69 151.65 33.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.566 ' C ' HD12 ' A' ' 428' ' ' LEU . . . -167.11 178.59 41.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -122.17 160.08 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.5 p90 -163.39 154.04 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 117.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.0 tt0 -68.43 -29.82 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.779 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -67.56 -29.15 68.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.916 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.916 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -130.02 175.72 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.75 148.56 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.527 ' HD3' ' CE2' ' A' ' 412' ' ' PHE . 3.7 mtt180 -82.47 141.47 32.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.435 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 69.0 t -115.6 124.43 29.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -97.12 -83.01 1.67 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 83.8 p -175.03 110.36 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 110.033 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.93 3.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 274' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 275' ' ' ALA . . . -173.99 153.48 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 275' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 274' ' ' ALA . . . 178.32 173.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.91 110.05 0.83 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.13 170.88 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.99 137.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -148.75 150.51 33.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.0 p -169.49 163.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.83 167.77 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -164.85 176.81 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -176.65 126.3 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -172.86 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.792 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.99 139.23 14.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.67 3.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -159.14 170.72 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.38 -177.24 23.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.99 -172.18 31.14 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 291' ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' ' 292' ' ' THR . . . -149.73 174.87 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 292' ' ' THR . 8.3 t -175.43 69.8 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.56 12.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -157.1 -165.8 15.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -168.37 175.23 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.4 m -152.72 151.05 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 297' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 297' ' ' LEU . 2.5 pp -146.23 97.78 4.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -179.67 5.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -164.88 139.26 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.2 122.86 27.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.1 42.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.554 1.818 . . . . 0.0 111.015 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 11.9 t -111.75 75.19 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -98.43 137.06 37.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 3.0 mt 71.3 56.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -80.48 150.8 29.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.67 166.33 21.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -150.6 160.99 28.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.95 152.52 41.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -75.05 160.09 40.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.9 p -113.72 104.12 55.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -74.97 140.19 25.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.2 Cg_endo -75.0 159.38 41.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.4 Cg_endo -75.0 147.57 34.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 314' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.3 Cg_endo -75.03 104.35 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.88 115.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -84.67 132.91 34.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 317' ' ' THR . 14.7 t -164.4 109.33 0.88 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.17 3.26 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.66 141.31 28.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.31 166.47 18.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.3 155.32 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 323' ' ' LYS . 10.5 p -136.96 169.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 323' ' ' LYS . . . . . 0.472 ' N ' HG22 ' A' ' 322' ' ' VAL . 13.1 mtmt 66.66 106.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -176.02 85.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.06 164.13 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.13 146.5 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 13.1 mm -134.63 146.23 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -152.06 153.63 34.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 329' ' ' SER . . . . . 0.482 ' N ' HD22 ' A' ' 328' ' ' LEU . 0.6 OUTLIER -179.7 156.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.0 161.28 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -175.35 154.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -175.79 145.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -171.51 135.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.4 t -164.27 153.06 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -178.0 99.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 10.8 m -98.36 122.21 54.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.68 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -166.0 153.15 9.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 4.3 tp -164.98 125.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 11.2 p -134.74 153.64 51.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.976 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 25.5 m -144.97 179.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 22.0 m -157.95 134.23 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.395 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 10.3 t -120.43 127.83 26.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.023 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 18.9 m -163.96 179.18 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -150.42 153.71 34.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -164.57 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -143.66 -60.36 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.67 160.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -178.78 167.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.38 171.01 19.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.79 164.29 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 4.6 p -124.44 143.42 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -127.49 130.85 49.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -152.07 137.28 5.85 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -146.4 173.13 26.78 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 10.8 p -130.42 105.39 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -175.19 165.73 2.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.96 2.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 62.52 136.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -174.97 114.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -140.28 164.54 26.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -166.45 152.18 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -154.88 167.89 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 366' ' ' PRO . 1.1 mt-10 -164.34 140.32 4.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.257 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.02 -175.2 2.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -127.57 -150.52 7.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -156.9 169.12 25.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 2.4 t -158.23 124.62 4.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.37 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -117.9 163.26 16.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -170.11 158.98 7.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.62 163.37 4.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.96 163.86 38.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -169.75 152.66 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -165.0 172.59 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.04 170.38 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.6 162.66 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.66 112.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.93 68.9 0.5 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.23 13.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -171.17 143.71 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.62 157.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 11.7 p -161.4 145.11 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.95 144.82 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -167.74 135.51 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 74.8 p -110.01 175.41 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -170.95 104.32 0.4 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 160.79 39.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -151.27 151.64 32.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 3.6 m -147.92 110.17 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 87.0 t -131.73 129.33 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -157.2 104.2 2.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 164.01 108.67 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.4 t -171.11 61.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.448 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 4.9 t -87.29 145.74 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -119.65 153.92 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 66.25 143.61 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -128.17 -158.85 9.83 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 4.5 t -120.8 137.19 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 50.48 -170.31 0.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -150.72 -66.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 127.13 -168.71 19.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.498 ' O ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -76.11 173.09 11.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.68 -34.97 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -111.71 155.35 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.7 161.4 47.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -74.99 134.96 18.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.03 137.79 22.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 92.15 -23.31 27.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.08 148.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -107.48 -69.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.2 p90 -159.98 177.11 11.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.578 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.3 OUTLIER -94.51 144.98 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.71 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.8 m -132.73 163.2 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 481' ' ' VAL . 0.0 OUTLIER -134.61 124.66 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.11 154.6 37.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -124.45 -1.56 8.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.34 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.476 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.0 m-70 -147.97 169.97 18.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.74 100.62 9.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.881 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -111.28 108.99 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.3 m -77.59 113.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.881 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.12 117.94 34.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.1 p -119.16 94.09 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.54 -177.51 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -84.91 6.65 24.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.42 45.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.67 170.37 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.525 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -125.53 113.52 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.424 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -81.97 135.57 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.925 HD11 ' CG2' ' A' ' 436' ' ' VAL . 3.2 mm? -126.83 147.99 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.83 129.85 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.19 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.69 47.35 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.555 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.0 t0 -111.05 166.81 10.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 457' ' ' GLU . 2.8 m -117.17 121.93 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.925 ' CG2' HD11 ' A' ' 430' ' ' LEU . 24.3 t -133.22 149.8 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.578 HD23 ' HE3' ' A' ' 413' ' ' LYS . 0.1 OUTLIER -113.71 128.29 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.71 HG23 ' CG1' ' A' ' 414' ' ' VAL . 55.9 t -77.08 120.64 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.75 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.95 4.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.44 -172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -86.5 -20.88 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.48 149.22 3.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.73 19.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -19.56 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -90.53 -7.99 51.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.442 ' CG ' ' HA ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -92.24 149.65 21.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.468 ' OD1' ' CD1' ' A' ' 451' ' ' TRP . 6.3 t70 -106.43 166.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.32 111.15 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 95.82 6.87 59.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.715 ' C ' HD23 ' A' ' 452' ' ' LEU . 5.2 m95 -131.57 156.02 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -146.72 169.1 19.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -90.83 112.76 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.75 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.06 166.91 24.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.898 HG22 ' HB2' ' A' ' 459' ' ' ASP . 9.7 p -129.97 145.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.498 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 3.4 mtmp? -75.99 163.75 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.582 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.5 tt0 -59.49 -44.99 92.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -40.76 75.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.898 ' HB2' HG22 ' A' ' 455' ' ' VAL . 88.9 m-20 -67.11 -31.3 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.522 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -50.08 -47.2 53.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.53 -26.58 43.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -88.5 16.57 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.483 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -45.28 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.597 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.2 mttp -58.33 -40.67 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -147.62 47.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 463' ' ' HIS . 2.1 pt? -70.8 -30.2 66.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 2.3 mt-10 -55.45 -17.17 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -101.79 8.09 41.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 469' ' ' CYS . 0.5 OUTLIER -130.3 8.51 5.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.439 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -57.12 155.3 8.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.525 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -158.24 -178.88 32.69 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.85 157.19 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -164.61 152.9 10.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.98 122.2 7.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.747 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.76 -40.54 79.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.672 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -59.21 -28.91 67.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.837 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -83.95 1.21 44.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.837 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.81 -179.92 5.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.84 154.26 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.478 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 9.2 mtt180 -78.5 138.48 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 413' ' ' LYS . 2.4 t -106.1 118.82 54.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -156.91 -162.03 11.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.99 105.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 171.91 17.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.23 175.49 9.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -140.23 157.63 45.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 89.7 m -132.83 118.76 15.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.1 23.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.35 160.99 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.96 136.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.54 150.87 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.45 140.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -136.96 177.6 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.87 175.44 13.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.55 146.05 10.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.63 10.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.504 1.792 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.45 122.77 17.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.75 42.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.02 39.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.55 170.56 29.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.92 163.9 35.02 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -152.72 147.95 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 292' ' ' THR . 12.9 t -172.55 89.78 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.38 24.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 294' ' ' GLY . . . . . 0.643 ' O ' ' HB2' ' A' ' 295' ' ' ALA . . . -144.62 144.73 13.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 295' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 294' ' ' GLY . . . 167.04 104.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.7 p -111.73 -23.02 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.409 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 53.99 87.41 0.14 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.97 3.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 165.95 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.43 104.29 55.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 140.93 26.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 302' ' ' SER . . . . . 0.452 ' HB3' ' CG ' ' A' ' 305' ' ' ARG . 0.2 OUTLIER -47.77 114.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.52 129.92 45.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.32 58.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 305' ' ' ARG . . . . . 0.452 ' CG ' ' HB3' ' A' ' 302' ' ' SER . 77.0 mtp180 -80.57 151.15 29.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.85 163.76 24.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -145.09 171.55 26.19 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.123 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.5 Cg_endo -74.95 148.34 35.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -75.01 157.99 42.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 476' ' ' ASN . 5.0 p -107.83 105.05 55.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 159.73 40.81 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.99 41.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.62 43.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 72.02 4.77 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -123.23 -61.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.58 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.616 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 4.0 t -144.54 113.6 5.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.2 87.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.8 157.94 15.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -142.16 165.77 26.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 4.6 p -174.57 125.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -103.15 -179.5 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.97 178.56 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -144.42 -179.51 6.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.95 -178.96 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 7.9 tt -155.96 171.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 329' ' ' SER . 0.0 OUTLIER -145.4 169.3 18.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 329' ' ' SER . . . . . 0.498 ' N ' HD22 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -141.88 163.88 31.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.96 148.93 44.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -124.73 -175.05 3.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.14 174.55 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -172.67 126.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 11.7 p -98.03 -177.88 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -166.04 168.9 15.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 13.0 p -153.63 128.78 4.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.71 4.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.769 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -174.91 146.35 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -173.66 133.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 64.4 p -155.66 149.54 25.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 8.5 p -168.56 162.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 6.0 t -167.83 150.79 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 5.2 m -161.93 108.47 1.16 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.37 163.9 6.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -170.54 108.11 0.43 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' PRO . . . . . 0.462 ' O ' ' HB2' ' A' ' 348' ' ' ALA . 18.2 Cg_endo -74.98 175.49 11.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 348' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 347' ' ' PRO . . . 177.08 134.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 350' ' ' ALA . 2.7 mm-40 174.12 158.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 350' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 349' ' ' GLU . . . 75.33 130.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.39 120.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 110.053 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 155.0 22.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 72.9 t -125.58 -61.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 59.47 108.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -145.34 172.33 26.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -153.84 -102.5 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 4.0 m -42.28 -30.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.0 94.37 4.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.45 38.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -125.58 137.8 53.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -72.28 112.69 8.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -86.48 -119.42 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -172.76 164.22 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.54 130.54 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.13 144.61 8.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.7 8.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -87.54 -145.53 10.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.11 175.42 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 22.9 p -132.41 -179.37 5.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -140.99 173.14 11.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -140.12 157.74 45.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 31.5 m -141.63 147.85 38.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -110.45 171.1 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -123.62 173.91 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -146.8 168.45 21.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 60.0 p -131.98 171.17 13.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 1.3 m -151.72 169.63 21.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 9.6 p -151.87 171.5 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 379' ' ' LEU . 1.9 pt? -148.89 151.46 34.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -179.11 4.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -117.33 175.75 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 68.4 t -107.48 137.75 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 87.5 t -112.01 116.59 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 7.5 p -85.48 149.4 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -126.89 170.92 11.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 16.7 m -127.84 161.34 29.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 387' ' ' PHE . 0.8 OUTLIER -136.5 152.28 74.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.6 43.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -99.64 149.36 23.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.2 p -125.98 159.11 33.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 35.2 m -103.37 139.05 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -104.8 158.47 16.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -176.9 -149.68 7.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.5 m -99.41 128.8 45.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 34.9 m -133.37 156.47 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.3 76.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 110.256 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -162.52 -153.45 7.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 108.31 -156.33 15.8 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 6.5 t -55.64 152.16 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.966 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -108.26 -77.79 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -55.6 135.33 51.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -177.18 -169.6 38.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.403 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -74.0 -171.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.754 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 404' ' ' LEU . 2.5 pt? -124.65 -42.42 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -114.98 155.02 27.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 160.49 58.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.69 18.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 144.19 30.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.21 -21.19 22.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.92 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.965 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -111.76 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.535 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.5 p90 -161.2 174.39 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.692 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -94.0 150.5 20.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.669 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -132.78 166.42 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -132.82 122.95 25.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.934 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -65.39 151.5 46.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.48 -3.28 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.473 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.3 m-70 -149.26 169.63 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 8.4 t70 -105.64 104.39 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.898 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -114.07 108.82 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -78.71 113.6 16.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.898 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.38 118.15 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 41.7 p -118.63 94.36 4.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -141.35 -175.93 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -87.06 7.36 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -177.04 39.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.75 170.71 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.21 113.6 17.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.7 137.11 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.934 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -130.23 149.32 51.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -128.59 133.94 48.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.76 99.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.23 48.46 1.71 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.567 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 13.2 t70 -109.82 169.55 8.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.692 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.0 OUTLIER -118.46 121.49 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.472 ' C ' HD23 ' A' ' 437' ' ' LEU . 7.3 t -133.98 143.55 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.876 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.29 131.43 54.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.669 HG23 ' CG1' ' A' ' 414' ' ' VAL . 96.9 t -80.91 120.8 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.743 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.87 152.45 79.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.98 -171.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -85.21 -16.42 40.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.11 148.1 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -19.7 17.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -92.49 -12.21 32.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.16 148.83 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -99.02 174.01 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.89 112.21 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.79 -9.76 62.14 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 3.0 m95 -117.18 158.82 23.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -149.45 170.85 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -91.92 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.743 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.21 175.5 19.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.876 HG13 ' HG ' ' A' ' 437' ' ' LEU . 8.9 p -136.16 142.28 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.266 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.403 ' HD2' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -79.57 159.94 26.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.518 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.3 tt0 -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.39 70.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER -60.43 -32.66 71.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.646 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.2 t90 -51.21 -47.79 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -54.37 -25.39 24.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.446 ' C ' ' N ' ' A' ' 464' ' ' LYS . 69.7 mm-40 -91.14 16.88 8.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -45.61 -22.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -57.79 -29.61 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -149.71 56.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 0.3 OUTLIER -69.52 -31.17 69.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.12 -17.89 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.05 7.78 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 -1.55 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 13.3 mtm180 -66.52 155.49 37.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.67 177.22 36.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.92 155.03 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.297 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.461 ' HB2' HD13 ' A' ' 430' ' ' LEU . 16.2 p90 -162.87 153.26 13.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.07 119.93 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.5 OUTLIER -69.16 -33.68 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.606 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -64.81 -27.81 69.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.822 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -87.11 4.52 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.822 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.42 178.82 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -133.09 144.65 50.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.46 142.25 33.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.46 115.43 34.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -172.05 71.59 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 94.4 p -159.96 148.53 13.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 179.19 6.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.95 170.99 14.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -143.18 174.51 10.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 276' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 0.1 OUTLIER -135.29 147.75 63.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 277' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -75.0 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -148.04 155.11 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 2.2 tt -138.35 155.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.06 167.67 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.09 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -146.64 167.91 22.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.55 174.65 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.01 147.6 19.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.68 4.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -134.47 146.11 57.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.56 14.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.574 1.828 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.0 163.41 32.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -110.55 -170.59 19.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.456 1.098 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -152.69 -155.52 7.13 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -144.74 172.47 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 6.6 m -139.44 136.08 17.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 293' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.57 -146.46 7.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -151.21 168.2 25.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 17.1 m -151.0 128.12 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.97 114.08 56.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 149.73 37.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -99.63 126.68 45.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.33 136.75 19.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 145.98 32.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.54 1.811 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 2.8 m -130.36 113.92 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.491 ' CB ' HG21 ' A' ' 425' ' ' THR . 24.6 pt20 -85.09 145.91 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 304' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 424' ' ' ASP . 0.2 OUTLIER -147.65 77.06 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 305' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -101.54 108.9 20.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 306' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 307' ' ' GLY . 14.7 tppt? 177.78 154.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 307' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 306' ' ' LYS . . . 170.36 144.7 4.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.99 143.38 29.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.553 1.817 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -74.96 148.22 35.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.5 p -105.93 104.45 49.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -74.98 145.71 31.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.2 Cg_endo -75.02 146.81 33.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -74.98 158.45 42.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.13 4.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -60.19 -58.92 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 6.3 m80 66.31 106.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 319' ' ' SER . 38.2 m -77.89 113.58 34.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.17 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 319' ' ' SER . . . . . 0.594 ' O ' HG22 ' A' ' 317' ' ' THR . 22.9 t -80.98 156.5 25.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.21 149.37 42.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.53 168.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.2 m -93.21 -34.48 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 5.0 tttp 59.04 176.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -150.17 143.39 25.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -176.68 126.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -156.47 161.44 40.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 327' ' ' ILE . 0.0 OUTLIER -170.98 87.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.81 138.78 51.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 78.1 p -127.22 162.03 27.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.11 168.51 20.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.22 152.43 30.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -119.18 168.61 10.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.96 127.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.2 t -156.3 153.26 28.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.425 ' O ' HG13 ' A' ' 336' ' ' VAL . 17.8 p90 -136.36 179.45 6.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 335' ' ' PHE . 0.0 OUTLIER -153.76 118.04 2.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.16 2.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -171.57 82.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 4.6 mt -114.46 143.46 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 55.2 p 179.06 69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.06 113.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 343' ' ' THR . 24.2 p -130.85 -74.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.448 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 343' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 0.4 OUTLIER 75.75 136.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 344' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -75.03 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 346' ' ' GLN . 19.0 m -130.4 -59.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 345' ' ' SER . 0.3 OUTLIER 58.62 115.2 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.304 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -169.09 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -157.46 -65.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.21 169.83 10.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -166.02 66.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 32.2 m 63.16 159.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -167.55 164.11 14.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 354' ' ' ALA . 34.9 m -66.09 156.39 6.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 354' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 353' ' ' VAL . . . 71.41 169.16 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -79.85 -160.43 20.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.082 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -100.32 -159.07 28.09 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 358' ' ' GLN . 15.9 p -124.17 159.93 28.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 358' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 357' ' ' THR . 0.0 OUTLIER -38.48 99.27 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.94 42.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -128.76 146.12 50.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -69.33 163.31 25.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -155.5 -160.82 10.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -130.16 174.94 9.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -174.3 166.29 4.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.63 151.07 68.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.25 23.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -104.4 -159.39 24.05 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 368' ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' ' 369' ' ' THR . 0.1 OUTLIER -163.03 -65.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 369' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 368' ' ' GLU . 10.7 t 54.27 165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -143.18 170.81 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -163.83 133.85 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.22 162.68 3.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -161.21 158.32 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -147.34 -61.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . 62.71 99.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.6 166.16 25.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.44 149.1 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.96 156.65 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.66 96.09 0.37 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -179.8 5.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -154.05 139.05 17.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 6.2 p -172.6 141.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 1.6 p -143.08 149.52 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.4 p -153.66 149.61 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -162.08 88.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.2 m -92.81 112.09 23.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.67 91.68 17.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 111.005 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.09 9.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.806 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -97.77 -170.96 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 27.2 p -143.94 54.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 78.6 t -86.7 82.24 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.66 155.37 18.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -62.82 168.78 17.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 31.0 p -60.38 174.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.805 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 8.7 p -138.15 150.38 24.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.13 101.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 106.56 -75.94 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.948 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 71.8 144.68 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.24 85.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 44.89 84.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -129.71 168.07 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.267 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 80.4 -162.65 45.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.474 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -72.63 -177.67 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -119.75 -39.7 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -112.82 153.34 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.66 161.46 53.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.98 134.28 17.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.94 141.46 26.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.769 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.64 -23.4 16.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.8 t80 -35.98 154.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -116.2 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 22.0 p90 -162.01 175.8 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 144.29 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.934 HG22 ' O ' ' A' ' 436' ' ' VAL . 5.2 m -125.6 164.73 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.07 119.31 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.851 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.87 157.16 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -124.18 -2.38 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.7 m-70 -148.48 170.55 17.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.428 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.2 OUTLIER -109.17 104.67 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.888 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -115.2 120.39 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 55.3 m -85.02 114.86 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.888 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.97 116.56 30.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -119.1 94.4 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 304' ' ' LEU . 16.3 t0 -141.84 -174.74 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.491 HG21 ' CB ' ' A' ' 303' ' ' GLN . 14.9 t -79.23 -14.53 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -160.22 45.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.403 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -92.35 170.58 9.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.692 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -126.29 118.24 24.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.567 ' O ' HD22 ' A' ' 430' ' ' LEU . 1.6 tt0 -84.98 127.96 34.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -117.22 145.39 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.49 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -128.05 131.01 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.73 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.66 42.39 3.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.586 ' OD2' HD13 ' A' ' 430' ' ' LEU . 12.9 t0 -103.98 164.75 11.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 457' ' ' GLU . 3.4 m -118.06 117.71 55.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.934 ' O ' HG22 ' A' ' 414' ' ' VAL . 2.5 t -131.49 141.73 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.715 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -102.15 132.32 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.628 HG23 ' CG1' ' A' ' 414' ' ' VAL . 32.5 t -80.23 116.1 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.772 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -124.08 152.93 67.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.77 4.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.443 1.759 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.85 -172.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -20.44 32.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.89 148.16 1.66 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.89 14.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.11 -24.75 64.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.438 ' O ' ' NH2' ' A' ' 305' ' ' ARG . 1.9 mt-10 -87.49 -12.48 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.46 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.4 142.73 29.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -84.9 173.43 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.31 108.73 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.27 -4.25 58.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.929 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.5 m95 -122.72 141.95 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.929 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.4 169.68 14.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 1.2 ttm -88.77 113.55 24.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.772 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.23 167.5 23.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.898 HG22 ' HB2' ' A' ' 459' ' ' ASP . 8.9 p -131.11 142.49 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -75.08 160.13 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.48 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.8 tt0 -57.69 -41.7 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -38.61 84.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.898 ' HB2' HG22 ' A' ' 455' ' ' VAL . 54.7 m-20 -66.14 -32.39 73.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.715 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.58 -48.53 63.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -55.93 -25.41 43.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -89.99 17.58 6.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 3.2 t60 -45.65 -22.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -58.22 -30.77 66.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 465' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -159.26 51.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -69.75 -30.19 67.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.2 OUTLIER -53.56 -20.77 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 468' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -99.83 8.11 44.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.46 6.65 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 4.0 mtm180 -60.57 152.97 24.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.692 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -160.04 -179.85 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -122.83 155.67 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -160.47 151.83 16.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.97 119.6 5.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -35.7 78.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.546 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -62.47 -31.5 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.889 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -85.04 0.72 50.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.889 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -128.71 174.39 9.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -131.56 153.07 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.9 mtt180 -86.95 133.68 33.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.267 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.14 119.59 56.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 82.18 126.45 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.48 107.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.016 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 273' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 274' ' ' ALA . 18.3 Cg_endo -74.94 -168.73 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 274' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 273' ' ' PRO . . . 178.05 162.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -169.33 168.02 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 9.0 m -161.15 100.86 1.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.72 145.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -169.8 123.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -140.23 121.22 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 281' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 282' ' ' ASN . 51.3 t -125.79 162.84 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 282' ' ' ASN . . . . . 0.432 ' N ' HG12 ' A' ' 281' ' ' VAL . 0.7 OUTLIER -169.89 163.41 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -177.74 178.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 173.49 114.26 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -174.66 92.62 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.1 Cg_endo -75.03 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 288' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 179.02 167.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 161.15 168.8 23.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 165.6 156.84 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -167.94 176.09 6.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 105.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -158.45 -161.48 11.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -178.63 156.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 78.6 m -156.16 135.05 11.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.45 103.44 3.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -163.37 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 147.25 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 18.1 p -121.23 108.96 35.55 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.32 42.84 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.51 1.795 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.57 80.15 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -98.68 160.65 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.28 88.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -102.11 151.04 22.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 164.91 27.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -154.43 -179.19 29.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -75.01 151.45 39.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -74.98 161.02 39.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.58 HG13 ' HB2' ' A' ' 476' ' ' ASN . 9.9 p -110.6 113.67 55.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -74.99 143.58 29.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 313' ' ' PRO . 18.4 Cg_endo -74.98 146.16 32.42 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -75.01 173.23 14.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.449 1.762 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.27 127.02 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.35 74.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 317' ' ' THR . 1.2 m -121.43 93.78 48.7 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.86 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.02 -159.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 78.46 133.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -147.8 133.14 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 14.6 p -78.53 157.66 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -130.38 -169.29 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -148.29 -166.68 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -159.98 -168.97 2.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.85 153.81 28.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' ILE . . . . . 0.731 HD13 ' H ' ' A' ' 327' ' ' ILE . 0.3 OUTLIER -121.85 -161.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -171.07 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 14.4 p -174.85 116.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.67 179.91 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -155.67 148.6 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -147.19 168.82 20.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -174.1 140.21 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.68 150.81 49.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 335' ' ' PHE . . . . . 0.462 ' O ' HG13 ' A' ' 336' ' ' VAL . 1.1 m-85 -146.09 161.14 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 335' ' ' PHE . 33.5 m -155.92 114.97 2.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.5 3.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.441 1.758 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.47 149.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.1 tt -170.02 146.15 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' SER . . . . . 0.558 ' O ' HG13 ' A' ' 341' ' ' VAL . 3.2 t -178.97 128.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 341' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 340' ' ' SER . 30.5 m -157.78 157.25 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 1.5 m -162.16 139.58 8.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 2.9 m -162.78 114.11 1.09 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 44.6 t -176.82 160.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -174.82 89.37 0.31 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 176.74 9.52 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -176.26 163.2 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -178.32 173.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -172.52 175.84 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 1.7 m 179.26 171.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -145.73 176.04 9.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.73 152.5 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -177.4 156.94 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 161.81 168.66 24.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 154.33 -140.64 7.61 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 68.4 p 42.97 91.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.83 117.32 66.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -64.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 61.7 101.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -122.64 174.02 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 145.59 -138.6 7.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 62.8 65.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.258 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 63.1 130.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 56.59 95.29 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.13 15.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -121.82 -111.15 2.14 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 65.8 133.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 14.0 t -129.5 149.27 51.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -150.86 139.75 20.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -130.54 -64.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.08 146.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.96 125.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -175.65 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -45.8 129.15 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.14 140.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.54 155.55 36.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 37.5 p -124.96 -63.84 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.54 132.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 176.12 10.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -148.54 92.49 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 46.1 t -103.3 -74.0 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 70.32 125.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 3.4 t -145.95 125.46 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -176.4 152.5 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 8.9 t -144.46 146.01 32.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.69 94.21 39.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.59 5.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.56 153.53 42.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.8 t -168.23 146.31 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 72.5 t -70.04 144.15 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -131.34 134.47 46.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -168.77 125.68 1.3 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 396' ' ' GLU . 22.7 p -107.62 -35.05 6.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 48.6 t 64.79 -79.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 396' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 394' ' ' THR . 4.4 mm-40 64.7 102.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -139.61 138.32 9.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 97.39 112.86 3.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 60.8 p -135.91 133.87 38.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.67 104.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -110.23 91.0 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 163.18 173.93 32.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.142 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -75.28 -177.91 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.1 pt? -119.14 -40.6 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.534 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 34.8 m-20 -112.39 155.12 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.0 161.39 58.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 134.27 17.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.03 139.28 24.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.771 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.77 -24.41 15.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.5 t80 -35.74 150.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 111.026 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.0 mtt -112.55 -68.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 17.9 p90 -160.77 177.92 9.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 146.04 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 436' ' ' VAL . 6.1 m -128.03 166.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.5 121.49 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.76 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.55 154.16 39.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -122.47 -3.39 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.518 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 80.6 m80 -149.06 170.2 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 9.2 t70 -106.78 101.48 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.81 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -114.0 110.32 19.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.93 116.63 16.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.81 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 112.9 24.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' THR . . . . . 0.546 ' N ' ' OE1' ' A' ' 427' ' ' GLU . 21.3 p -120.01 92.51 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.425 ' CB ' ' HG3' ' A' ' 427' ' ' GLU . 38.9 t0 -141.92 178.07 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.4 t -71.46 -4.51 26.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -169.73 44.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 423' ' ' THR . 1.9 mt-10 -92.09 167.93 11.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.585 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.92 119.96 30.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.74 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.4 tt0 -85.52 134.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.059 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -128.82 143.66 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.11 133.77 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.0 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.99 47.06 1.8 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.596 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 21.6 t70 -109.41 168.55 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 457' ' ' GLU . 0.8 OUTLIER -117.09 122.84 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.059 HG21 HD11 ' A' ' 430' ' ' LEU . 4.4 t -134.82 142.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.901 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -104.72 132.61 50.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.487 HG23 HG11 ' A' ' 414' ' ' VAL . 5.5 t -80.94 114.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.752 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.47 153.27 62.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.46 -178.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -87.28 0.33 55.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 171.54 147.34 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.27 20.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.1 -21.62 61.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -11.9 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 3.1 tt0 -84.09 144.97 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -105.27 164.39 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 108.39 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.04 -11.39 58.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.0 OUTLIER -119.31 150.93 39.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -141.14 172.1 13.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.61 114.66 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.752 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.54 169.24 23.2 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.901 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.4 p -133.03 145.53 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -78.33 160.37 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.467 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.9 tt0 -58.29 -43.73 88.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -38.54 78.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.635 ' HB2' HG22 ' A' ' 455' ' ' VAL . 3.1 m-20 -66.57 -31.44 72.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.772 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -50.51 -47.63 57.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -56.35 -25.44 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -88.07 16.82 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.8 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -45.45 -23.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.1 mtpm? -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.04 42.02 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.8 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.71 -29.89 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -55.35 -18.32 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -102.01 7.06 41.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.6 3.57 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -57.93 154.41 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.585 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -158.72 -179.69 33.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.9 156.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.507 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 22.7 p90 -160.45 149.12 13.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 119.76 5.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.725 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.3 tt0 -67.38 -37.53 83.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.58 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.3 m-20 -60.88 -28.42 68.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.85 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.52 3.01 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.85 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.91 173.36 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.29 155.87 47.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -88.58 134.96 33.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.16 117.96 58.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 144.22 -67.99 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 112.34 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.027 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.7 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -160.75 178.67 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -167.52 175.32 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 276' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 276' ' ' THR . 6.5 t -174.23 95.61 0.31 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -175.52 2.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.05 163.47 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.2 tt -163.7 172.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -172.43 161.02 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.13 134.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -141.86 154.95 45.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.19 150.06 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.59 121.41 3.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.76 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.03 96.42 0.53 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.68 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.96 178.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 171.07 176.01 39.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 170.04 157.74 12.82 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.13 178.89 8.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.5 t -177.06 104.15 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -166.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 164.83 161.43 13.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -174.32 179.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.5 t -160.61 177.03 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.2 pp -173.31 110.21 0.33 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.45 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.32 159.48 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 69.9 m -119.1 113.36 35.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.82 42.74 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 13.5 p -137.46 77.36 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.508 ' HB2' HG21 ' A' ' 425' ' ' THR . 1.5 pt20 -98.16 161.14 13.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 3.3 tp 67.66 95.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -102.06 151.56 22.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -122.53 145.37 48.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -154.94 157.22 27.46 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.94 148.52 35.7 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.1 Cg_endo -75.07 161.88 37.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 476' ' ' ASN . 12.5 p -106.04 105.99 55.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.03 144.27 29.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.3 Cg_endo -75.01 139.01 23.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -74.95 165.8 30.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 57.21 4.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.5 -177.48 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -116.89 153.58 32.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 33.4 m -148.27 100.12 3.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.68 31.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.34 169.69 21.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.59 -167.09 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.63 145.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 33.9 m -150.01 175.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -110.33 124.52 51.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -57.92 162.3 3.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -179.86 122.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -137.01 149.18 47.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.6 tp -166.26 147.49 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.67 157.45 12.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.67 151.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.84 145.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -174.88 150.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -176.96 152.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.341 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.24 153.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.7 t -169.31 172.85 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -175.96 151.21 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 29.9 m -146.39 139.87 14.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.12 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -175.22 64.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.5 mt -80.59 141.29 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 90.2 p -157.69 151.82 24.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 11.8 p -170.27 159.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 2.9 t -159.09 156.71 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 343' ' ' THR . 12.8 t -151.83 101.58 2.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.398 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.5 -175.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 347' ' ' PRO . 1.7 pt20 -156.29 140.72 11.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 347' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 346' ' ' GLN . 18.3 Cg_endo -75.03 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -153.16 169.11 23.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.79 -178.59 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -152.52 -169.09 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 352' ' ' GLU . 0.4 OUTLIER 168.69 173.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 351' ' ' SER . 0.0 OUTLIER 81.3 53.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.44 139.41 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -174.71 156.72 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 142.85 160.59 8.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.82 -135.36 0.65 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 358' ' ' GLN . 1.8 m -42.75 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 0.724 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 358' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 357' ' ' THR . 6.3 mt-30 64.67 146.72 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.2 23.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -112.94 163.58 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -157.13 161.73 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -141.27 -106.2 0.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 65.69 118.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.32 164.42 32.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.75 137.47 23.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.69 6.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -135.62 162.66 24.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.05 164.12 26.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 14.9 t -173.91 154.56 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -168.05 149.4 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -172.15 146.88 1.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.29 141.36 6.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.926 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -166.84 171.48 11.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 110.356 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -141.07 172.54 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -151.59 175.17 12.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 86.7 p -140.49 166.61 24.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 60.5 m -115.57 170.16 8.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.14 161.83 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.023 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 4.6 tp -133.97 99.27 13.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.74 41.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -150.81 -179.46 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 64.8 t 57.69 103.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 383' ' ' VAL . 11.8 p -133.56 62.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.4 p -147.55 154.02 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.1 159.17 17.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.2 m -146.19 131.92 18.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -57.53 121.23 46.93 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.39 2.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -47.35 128.79 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.8 t -173.96 120.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 34.7 m -86.87 138.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.24 -51.66 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 102.34 -128.22 9.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 25.8 m 58.64 110.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.385 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.06 -64.37 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.04 -62.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 109.34 -153.83 16.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 56.05 61.9 6.93 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 3.5 t -42.83 164.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 97.89 85.55 1.81 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -155.07 79.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 143.16 -170.06 25.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.485 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -75.2 179.18 5.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.275 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -37.86 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.43 155.1 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.3 161.06 47.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.97 134.33 17.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 142.53 27.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.47 -22.23 14.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.2 t80 -36.09 152.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.464 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 10.0 mtt -113.02 -70.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 12.3 p90 -160.57 175.57 12.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 140.19 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.5 m -122.34 163.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -133.88 120.05 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.729 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.58 150.09 49.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -118.81 -3.94 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.502 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.0 m-70 -145.88 170.44 16.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.35 105.5 15.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.912 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.7 OUTLIER -114.98 108.77 17.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -76.86 113.89 15.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.912 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -105.98 116.98 32.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 70.6 p -117.27 92.42 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -144.02 -174.13 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 303' ' ' GLN . 1.5 t -92.02 8.44 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -178.82 61.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.523 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -119.07 171.62 8.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.88 113.99 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.618 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.6 tt0 -76.9 138.88 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 436' ' ' VAL . 3.8 mm? -130.68 136.9 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.5 127.29 50.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.532 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -30.24 105.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.34 3.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.577 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 6.5 t0 -103.52 164.66 11.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.546 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.4 m -119.05 116.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 430' ' ' LEU . 40.8 t -131.49 145.1 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.83 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -106.86 130.47 54.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.644 HG23 HG11 ' A' ' 414' ' ' VAL . 7.2 t -77.8 119.4 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.751 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.71 153.32 79.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.92 -171.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.79 -9.47 55.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.74 148.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.03 17.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.37 -22.99 61.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.83 -9.37 54.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.17 148.35 23.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -100.07 166.91 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.34 110.55 13.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.71 3.36 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.637 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.2 m95 -134.39 145.31 48.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -134.11 171.68 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -90.87 113.56 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.751 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.86 169.79 21.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 459' ' ' ASP . 11.1 p -132.26 145.32 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 160.42 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.546 ' HB3' HG23 ' A' ' 435' ' ' VAL . 4.5 tt0 -58.39 -42.52 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -39.15 88.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.803 ' HB2' HG22 ' A' ' 455' ' ' VAL . 82.4 m-20 -64.23 -31.71 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.83 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -51.73 -47.44 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -57.03 -25.53 58.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -89.75 17.24 6.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.8 OUTLIER -45.82 -22.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 4.8 tttt -58.59 -30.57 67.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.86 51.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.97 -30.48 67.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 3.5 mt-10 -55.67 -17.56 6.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -100.17 8.16 44.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 5.7 p -130.78 8.4 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.511 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -58.27 154.93 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -164.02 175.5 40.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.12 156.44 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -160.79 152.59 16.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.448 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -68.59 -35.09 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.694 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -63.35 -27.16 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.925 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.1 4.03 46.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.925 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -132.97 152.19 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 36.3 t -111.78 132.84 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 110.992 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 173.88 120.17 0.57 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 78.9 p -177.95 120.2 0.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -174.05 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -151.72 173.94 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.32 172.67 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 276' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 276' ' ' THR . 4.7 t -156.28 106.29 2.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.54 9.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.42 159.14 12.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.8 tt -169.87 132.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.79 147.75 41.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.0 p -158.18 135.03 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.87 174.32 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 284' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 285' ' ' PRO . 0.1 OUTLIER -167.06 134.23 1.95 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 284' ' ' GLU . 18.2 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -151.79 91.52 3.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.52 18.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.07 178.8 6.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 175.89 159.01 20.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 172.03 104.82 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -59.72 167.56 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 53.3 m -150.6 89.81 4.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -123.75 -136.04 4.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -159.19 158.37 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.796 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 10.9 t -115.54 149.68 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 297' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 298' ' ' PRO . 1.8 pp -123.93 144.67 45.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 298' ' ' PRO . . . . . 0.835 ' O ' HD12 ' A' ' 297' ' ' LEU . 18.3 Cg_endo -75.05 178.98 6.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -153.03 122.0 6.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 93.6 p -115.43 113.12 43.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 146.77 33.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 46.0 p -112.03 71.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.53 139.19 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 304' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 304' ' ' LEU . 9.2 tp 71.82 41.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.5 137.36 48.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -134.92 -171.01 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -170.8 177.35 43.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.18 37.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.3 p -104.91 105.75 52.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.02 146.37 32.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.4 Cg_endo -74.95 164.74 32.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.68 42.88 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.48 4.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 178.48 134.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -164.62 119.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.577 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 15.6 m -123.56 85.75 52.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.2 20.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 28.2 p -178.15 162.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 2.8 mttt 68.88 99.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.94 144.05 8.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 7.0 p -141.78 138.1 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -127.74 171.11 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 64.11 142.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 177.57 142.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.36 130.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.2 pt -139.19 171.79 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.88 159.86 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 89.1 p -175.48 169.24 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.3 pp -172.13 163.49 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.48 155.65 22.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -130.8 175.23 9.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -144.57 163.07 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 18.0 p -114.85 -169.31 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -117.67 174.71 6.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 337' ' ' PRO . 3.6 m -141.85 149.0 51.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 337' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 336' ' ' VAL . 18.3 Cg_endo -75.0 174.15 13.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -112.01 -30.72 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 339' ' ' ILE . . . . . 0.651 HG23 ' N ' ' A' ' 340' ' ' SER . 0.0 OUTLIER 53.51 -179.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 340' ' ' SER . . . . . 0.651 ' N ' HG23 ' A' ' 339' ' ' ILE . 47.3 m -150.35 157.53 43.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 341' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 342' ' ' THR . 7.7 p -109.54 166.72 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 342' ' ' THR . . . . . 0.409 ' N ' HG22 ' A' ' 341' ' ' VAL . 12.5 t -110.19 166.46 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 343' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 54.7 m -86.2 133.61 40.39 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 344' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -75.02 -37.05 2.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.19 172.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.957 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.7 111.25 0.86 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 179.36 6.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -116.64 -179.22 3.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.376 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -128.26 -49.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . 61.1 161.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 98.6 p -153.66 166.32 33.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -165.34 172.49 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 77.8 t 63.79 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -156.96 162.98 39.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -106.55 -179.24 23.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.29 -137.44 0.17 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 59.7 m -143.75 -63.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -175.34 165.11 2.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.36 2.05 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.464 1.771 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 63.38 119.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -179.22 107.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 165.26 -162.26 35.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -131.86 155.92 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -141.96 101.58 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.488 ' N ' ' CD ' ' A' ' 366' ' ' PRO . 0.4 OUTLIER -57.48 -52.45 74.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.03 -81.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.446 1.761 . . . . 0.0 110.984 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 96.16 -81.48 0.78 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 127.34 21.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 25.6 m -107.06 -63.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.367 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -173.33 -65.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 64.35 173.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 5.2 t 69.82 125.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 177.64 134.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -169.32 174.25 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -168.97 143.36 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 33.2 p -172.42 142.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 12.7 p 174.88 179.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 34.3 t 61.55 140.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 4.6 pp -162.61 152.76 13.78 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 149.05 36.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -169.86 146.42 3.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 5.4 p -173.78 136.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 13.1 p -158.44 135.82 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 385' ' ' GLU . 8.3 p -158.47 169.45 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 385' ' ' GLU . . . . . 0.489 ' H ' HG22 ' A' ' 384' ' ' VAL . 40.8 tt0 -176.54 143.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -168.81 158.97 9.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.55 93.81 1.74 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.47 5.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -126.5 -65.42 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 18.7 m 60.25 76.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 6.3 p -172.71 120.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.91 125.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 164.78 63.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 50.9 p -130.24 161.15 31.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 3.2 p -103.39 -36.72 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 39.74 82.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -112.81 -168.31 17.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 102.48 144.1 14.05 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 42.8 t -121.3 -49.92 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -166.97 -59.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -174.6 76.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -87.41 -154.81 27.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.1 OUTLIER -116.34 140.36 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.78 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.02 -34.02 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.518 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 25.9 m-20 -75.43 156.81 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.21 158.3 34.2 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -75.03 136.91 20.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.05 139.08 23.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.75 -23.5 16.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 409' ' ' GLY . 16.3 t80 -35.67 149.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.1 mtt -112.14 -69.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 438' ' ' VAL . 19.2 p90 -154.83 179.62 8.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.733 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -103.75 142.22 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.475 HG13 HG23 ' A' ' 438' ' ' VAL . 3.1 m -124.26 164.36 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.33 122.15 25.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.645 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.45 153.4 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -122.19 -3.63 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.519 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -148.69 170.12 18.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.27 101.66 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.887 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -110.07 112.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.52 112.7 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.887 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -109.06 116.2 31.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.1 p -118.77 92.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.478 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 43.7 t0 -141.62 176.87 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.6 t -72.8 -3.33 24.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -175.58 56.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 472' ' ' VAL . 3.3 mm-40 -101.78 168.56 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.1 tp -118.24 113.86 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.654 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -84.73 138.22 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.974 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -130.63 145.94 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.5 129.03 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.21 105.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 91.31 49.96 2.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.486 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 39.4 t0 -113.32 170.72 8.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.733 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 2.6 m -119.31 128.37 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.974 ' CG2' HD11 ' A' ' 430' ' ' LEU . 4.7 t -137.06 144.88 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.661 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.03 133.31 52.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.78 HG21 ' CE1' ' A' ' 412' ' ' PHE . 54.2 t -82.06 117.94 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.78 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.35 151.83 75.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 440' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.75 -172.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -12.53 50.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.43 148.32 0.51 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -20.56 16.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.55 -21.54 60.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.4 -10.13 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.85 148.67 25.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 15.7 t0 -91.83 172.22 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.16 106.98 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 102.24 -7.87 54.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.611 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -122.41 135.45 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 472' ' ' VAL . 0.0 OUTLIER -119.01 168.3 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -87.47 113.18 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.78 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.91 175.89 20.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.598 HG13 ' HG ' ' A' ' 437' ' ' LEU . 8.5 p -136.77 145.31 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -80.09 159.34 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.568 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.1 tt0 -57.73 -37.36 73.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -44.57 95.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.595 ' HB2' HG22 ' A' ' 455' ' ' VAL . 35.8 m-20 -59.7 -32.2 70.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.661 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 -51.13 -48.18 61.84 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -68.8 -25.97 64.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 2.2 tp60 -86.72 19.04 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -44.92 -23.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.578 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -56.86 -30.19 63.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.01 45.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -68.77 -42.94 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.596 ' N ' HD23 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -60.52 -16.19 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 7.48 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -122.41 0.11 9.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -55.04 134.26 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.468 ' O ' ' HE2' ' A' ' 453' ' ' MET . . . -157.82 179.86 33.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.606 HG22 ' OE2' ' A' ' 427' ' ' GLU . 3.1 m -122.67 166.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 24.5 p90 -160.62 154.43 19.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.611 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.03 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 475' ' ' GLU . 1.6 tt0 -67.76 -29.5 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.692 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.2 m-20 -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.891 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -91.15 5.06 50.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.891 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -131.74 174.37 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.57 155.64 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.9 mtm-85 -89.24 140.33 29.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.479 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 43.0 t -110.28 119.2 47.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -96.73 -113.11 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 20.8 t -168.43 94.55 0.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.5 5.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -175.1 143.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -175.35 137.05 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 8.0 m -161.37 107.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.53 107.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.679 HD13 ' N ' ' A' ' 280' ' ' ARG . 0.1 OUTLIER -168.84 119.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.679 ' N ' HD13 ' A' ' 279' ' ' ILE . 0.1 OUTLIER -179.72 170.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 73.3 t 64.0 124.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 5.2 p30 178.48 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -171.01 174.9 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.92 103.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -179.34 71.1 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.73 17.75 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -175.76 174.63 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 150.16 151.39 5.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 290' ' ' GLY . . . . . 0.547 ' O ' ' HB2' ' A' ' 291' ' ' ALA . . . 149.93 149.51 5.02 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 291' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 290' ' ' GLY . . . 171.91 168.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 7.1 t -163.51 144.7 7.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -99.03 -151.84 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 295' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 296' ' ' THR . . . -178.96 170.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 296' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 295' ' ' ALA . 13.6 t 49.55 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.8 110.5 1.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? 77.17 103.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 31.0 p -103.69 138.08 19.43 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.92 39.12 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.803 . . . . 0.0 111.042 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 20.8 t -175.88 83.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.913 ' HG2' HG21 ' A' ' 425' ' ' THR . 0.0 OUTLIER -91.81 124.39 35.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 304' ' ' LEU . . . . . 0.427 ' C ' ' OD1' ' A' ' 424' ' ' ASP . 0.7 OUTLIER -162.91 68.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 305' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 306' ' ' LYS . 0.2 OUTLIER -102.31 114.16 28.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 306' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 305' ' ' ARG . 1.4 mmmt 167.18 164.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 150.24 161.28 9.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.95 142.28 27.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.1 Cg_endo -75.02 162.68 36.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.2 p -104.89 105.69 52.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.76 20.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 313' ' ' PRO . 18.2 Cg_endo -75.08 145.68 31.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.1 Cg_endo -75.02 162.03 37.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 62.27 5.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -110.98 -60.61 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.08 128.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 318' ' ' PRO . 2.6 m -138.3 130.93 16.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 318' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 317' ' ' THR . 18.3 Cg_endo -74.99 176.65 9.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 44.7 m -134.51 -73.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -161.47 140.81 10.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.81 -71.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 9.1 p -166.81 155.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 140.46 29.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.16 166.41 24.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 65.2 123.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.17 159.33 17.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.61 137.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.66 167.51 11.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 48.3 p -136.76 122.61 20.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 2.7 tt -174.03 67.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 331' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 331' ' ' PHE . 3.5 p90 -112.47 153.55 27.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -161.16 143.67 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -108.04 115.73 30.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.0 t -167.35 137.06 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.42 94.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 336' ' ' VAL . 7.1 p -126.06 100.35 30.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.05 17.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.453 1.765 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.5 126.9 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 339' ' ' ILE . 5.4 tp -174.02 113.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 90.6 p -98.89 134.1 42.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 28.3 m -124.25 165.72 20.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 11.5 t -166.73 156.35 11.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 343' ' ' THR . 9.0 t -162.43 92.94 1.27 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.12 34.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -178.53 125.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -164.1 114.8 0.96 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.79 3.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -157.24 149.38 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -169.95 116.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -164.27 148.2 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.26 142.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -174.72 118.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 8.5 p -172.94 158.69 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -125.09 163.91 21.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -128.46 -162.59 11.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -174.14 -85.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 8.8 t -43.48 151.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 64.37 92.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.23 25.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -115.92 167.88 10.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -127.05 159.8 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -129.91 -171.48 12.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -141.91 169.33 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.41 166.89 21.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -167.86 120.83 0.74 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.12 6.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 134.09 137.52 3.83 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.53 113.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 3.9 m -149.65 152.77 35.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.383 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -121.02 -63.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 61.92 114.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.81 134.66 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.94 126.74 9.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -125.61 169.68 12.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -135.92 -60.74 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 3.9 m 63.29 111.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 17.8 p -174.73 127.38 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 23.3 p -146.28 -72.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.7 65.84 0.63 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 167.68 26.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -167.52 36.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 382' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 384' ' ' VAL . 37.5 t -85.95 149.69 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.1 m -136.94 39.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.515 ' H ' HG12 ' A' ' 382' ' ' VAL . 6.1 t -88.75 146.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.01 96.44 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 386' ' ' THR . . . . . 0.417 HG23 HG12 ' A' ' 384' ' ' VAL . 19.4 p -94.93 -169.83 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.586 ' O ' ' CD2' ' A' ' 387' ' ' PHE . 32.5 p90 -165.3 93.14 0.89 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.02 21.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -171.82 96.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 4.5 m -110.64 148.07 32.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.33 104.09 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -100.53 167.11 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 130.95 149.02 6.4 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 395' ' ' VAL . 7.8 t -137.87 -49.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.439 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.447 ' N ' HG23 ' A' ' 394' ' ' THR . 77.5 t 62.65 128.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -150.98 153.16 34.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -164.54 90.52 0.1 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -93.07 140.77 15.22 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 93.0 p 51.54 177.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -152.27 173.24 31.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -140.16 147.83 40.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 123.76 -177.61 16.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.646 ' H ' ' NE ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -82.23 -171.58 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.333 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 -41.83 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -111.49 154.2 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.76 159.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.98 133.86 17.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.05 142.87 28.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.72 -22.84 15.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.4 t80 -36.59 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 0.784 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.5 mtt -115.19 -72.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.577 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 20.7 p90 -159.39 173.41 16.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.662 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -95.87 143.42 27.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.579 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -127.62 164.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.56 126.38 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.765 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -70.21 151.92 44.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -120.29 -3.12 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.516 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.0 m-70 -145.94 170.86 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.555 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.31 105.82 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.873 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -113.27 117.15 31.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 7.1 m -86.56 113.01 22.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.873 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -106.34 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 45.2 p -115.14 90.78 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 304' ' ' LEU . 38.4 t70 -145.08 176.59 9.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.913 HG21 ' HG2' ' A' ' 303' ' ' GLN . 15.2 t -85.76 13.49 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 176.84 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.503 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.2 OUTLIER -120.47 172.4 7.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.581 HD13 ' HA3' ' A' ' 471' ' ' GLY . 2.3 tp -122.19 113.14 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.408 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.1 tt0 -82.93 123.28 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.918 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -112.06 149.12 32.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.6 131.39 46.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.333 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.0 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.27 49.47 2.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.546 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.6 t0 -111.45 170.24 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.662 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 1.6 m -119.27 123.39 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 430' ' ' LEU . 2.3 t -135.66 142.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -106.11 132.34 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.579 HG23 ' CG1' ' A' ' 414' ' ' VAL . 69.7 t -82.0 115.94 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.755 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -125.54 152.11 71.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.22 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -25.18 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.25 148.84 5.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.07 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -19.35 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -94.07 -6.52 44.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.01 150.11 21.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 24.0 t0 -98.47 171.05 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -83.38 108.5 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.48 -8.37 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.71 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.4 OUTLIER -123.46 135.48 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.71 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -122.73 170.9 9.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.7 ttm -86.68 113.19 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.755 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.54 172.28 21.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.3 p -136.17 144.99 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 109.268 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -76.43 160.76 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 435' ' ' VAL . 10.0 tt0 -59.26 -41.54 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.5 ' HA ' ' ND2' ' A' ' 461' ' ' ASN . 0.1 OUTLIER -61.84 -43.69 98.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.61 ' HB2' HG22 ' A' ' 455' ' ' VAL . 27.5 m-20 -59.78 -34.13 72.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.513 ' HB2' HD11 ' A' ' 437' ' ' LEU . 5.2 t90 -52.7 -43.14 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ASN . . . . . 0.5 ' ND2' ' HA ' ' A' ' 458' ' ' SER . 2.3 m-20 -53.82 -26.59 24.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 39.8 mm-40 -96.37 19.5 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -44.74 -22.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.546 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 11.9 tttm -57.14 -29.67 63.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -149.35 52.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -32.08 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -18.4 7.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -106.04 7.7 31.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.8 7.88 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -61.61 152.19 31.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.581 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -161.67 -179.58 36.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -129.48 158.95 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.24 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.4 p90 -164.33 157.02 14.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 118.1 5.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.81 -31.74 70.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.698 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -65.93 -30.94 71.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.934 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -84.01 3.74 33.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.934 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -131.0 176.92 7.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -132.2 144.68 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.577 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.0 mtt180 -78.65 139.47 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.518 HG23 ' HA ' ' A' ' 414' ' ' VAL . 40.0 t -114.01 117.41 43.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 110.968 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 72.85 61.7 3.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 26.0 t -169.06 128.56 0.96 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -146.17 177.87 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.67 174.29 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 276' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 37.4 p -146.0 144.29 21.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 277' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -74.97 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.59 167.49 22.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.5 tp -142.68 137.18 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -119.01 170.96 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.7 p -144.22 166.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -148.05 174.65 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -141.7 178.11 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.19 146.55 37.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -171.01 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -138.59 149.02 61.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.77 2.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -148.18 178.98 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -133.39 -167.58 11.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -155.18 -155.66 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -157.28 -178.86 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 7.7 t -148.14 145.76 21.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 293' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.04 -169.61 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -125.46 -148.69 7.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -165.21 154.42 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 20.1 p -118.76 -172.71 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 297' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 298' ' ' PRO . 3.2 pp -151.11 127.82 5.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 298' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 297' ' ' LEU . 18.1 Cg_endo -75.04 -171.56 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 170.85 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 5.2 m -121.04 136.73 25.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.939 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.0 42.87 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.777 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 2.1 m -125.28 110.4 13.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.8 159.85 14.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 69.43 104.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -103.18 151.54 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.79 166.26 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -171.17 149.91 12.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.64 33.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.624 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.4 p -106.1 104.53 50.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -74.99 146.11 32.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.4 Cg_endo -74.91 155.67 43.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.575 1.829 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.3 Cg_endo -74.97 149.64 37.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.791 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 314' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.5 Cg_endo -74.99 65.55 6.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -154.12 93.25 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 60.81 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.572 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 3.4 m -45.98 117.33 3.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 155.3 42.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 49.4 m -149.61 164.15 35.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.75 102.63 14.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.01 167.58 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 69.0 t 62.82 122.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -147.55 155.76 42.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -163.33 163.36 25.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.46 129.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -179.68 109.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 14.4 tt -170.11 165.52 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.4 tt -143.87 151.03 39.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 87.8 p -116.44 170.0 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.61 172.06 16.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -165.53 175.38 9.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -176.54 165.96 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 176.82 170.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.3 t -157.14 158.88 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -151.02 -179.38 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 337' ' ' PRO . 36.0 m -139.56 149.63 60.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 337' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 336' ' ' VAL . 18.4 Cg_endo -74.99 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.7 148.36 27.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.7 127.13 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 75.3 m -105.25 -177.2 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 8.4 p -128.28 159.92 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 42.4 p -75.27 -177.11 3.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 343' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 0.8 OUTLIER -149.08 137.91 12.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 344' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -75.0 162.48 37.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.08 156.99 21.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.56 159.85 29.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.93 11.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.035 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -168.62 -177.09 2.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 350' ' ' ALA . 1.8 mt-10 69.07 167.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 350' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 349' ' ' GLU . . . 70.96 73.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 17.0 t 174.94 84.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -123.39 108.5 12.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.237 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 24.1 t 63.02 143.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -91.27 -62.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 111.61 168.8 18.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -88.01 91.83 1.76 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 357' ' ' THR . . . . . 0.898 ' OG1' ' HB3' ' A' ' 360' ' ' ALA . 12.0 p -138.61 117.52 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.408 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 358' ' ' GLN . . . . . 0.542 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 1.0 OUTLIER -58.21 -49.23 94.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 358' ' ' GLN . 18.3 Cg_endo -75.01 -70.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 360' ' ' ALA . . . . . 0.898 ' HB3' ' OG1' ' A' ' 357' ' ' THR . . . -40.61 146.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -120.35 -173.72 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -82.12 -74.23 1.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 65.01 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -136.11 162.89 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.38 118.64 26.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -113.39 -150.21 10.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.34 140.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.74 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 1.8 m -132.04 118.99 20.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 371' ' ' ALA . . . -65.21 -67.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 370' ' ' ALA . . . 67.22 144.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.72 131.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -173.16 145.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -164.05 172.31 13.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -176.61 174.28 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.92 165.32 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 3.6 t -165.54 139.88 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 57.7 p 177.78 129.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.027 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.46 89.34 0.29 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.97 30.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -169.25 120.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 9.9 p -174.18 147.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.6 134.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 10.3 p -170.84 143.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -163.84 117.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 43.3 m -151.39 145.86 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -171.51 94.19 0.42 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.19 37.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -140.63 97.46 3.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.8 t -149.82 134.75 17.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 391' ' ' VAL . 10.9 p -167.82 119.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.68 164.44 30.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 139.4 91.46 0.22 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 31.9 p -103.3 87.24 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 110.34 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 11.1 p -163.85 157.31 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -171.64 -60.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 97.18 -117.45 5.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 82.91 155.58 18.78 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 21.8 m -88.28 -58.93 2.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 164.87 122.44 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 59.7 157.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -135.41 -172.47 12.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.534 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -78.67 179.28 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.04 -39.17 3.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -111.15 154.69 23.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.67 160.33 56.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.0 135.68 19.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.94 143.63 29.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.0 -24.22 9.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.9 t80 -36.23 154.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.24 -67.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 38.1 p90 -161.43 177.78 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.757 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -97.92 151.0 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.552 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -132.72 166.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.07 118.97 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.828 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.97 157.36 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.8 -3.41 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.542 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 83.4 m-70 -144.97 170.81 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.604 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 13.7 t70 -109.37 102.29 11.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.97 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -115.81 108.55 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.6 112.88 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.97 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.81 114.98 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 15.3 p -121.22 93.7 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 427' ' ' GLU . 26.2 t0 -141.2 -178.19 5.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.523 HG23 ' OD2' ' A' ' 426' ' ' ASP . 15.1 t -77.51 -5.06 48.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 426' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 425' ' ' THR . 9.7 m-20 -164.71 43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.523 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -97.67 165.92 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.547 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -127.43 113.25 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.604 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.1 tt0 -76.44 137.16 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.929 HD11 HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -130.38 142.79 50.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.468 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.36 132.37 53.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.79 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.11 47.13 1.92 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.497 ' OD2' HD13 ' A' ' 430' ' ' LEU . 23.9 t70 -109.1 166.89 10.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.445 HG12 ' HE3' ' A' ' 413' ' ' LYS . 1.9 m -116.4 122.74 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.929 HG21 HD11 ' A' ' 430' ' ' LEU . 2.6 t -134.58 146.2 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.0 OUTLIER -106.43 132.46 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.552 HG23 ' CG1' ' A' ' 414' ' ' VAL . 20.4 t -81.82 113.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.739 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.91 153.06 63.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.93 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 111.021 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.0 -34.54 32.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -154.26 144.55 15.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.91 18.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.15 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -92.96 -16.91 24.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -71.96 144.66 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -95.34 171.2 8.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 99.4 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.49 -3.44 34.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.639 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.3 m95 -124.22 146.46 48.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -134.01 169.67 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -87.71 112.12 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.739 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.23 165.75 23.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.737 HG22 ' HB2' ' A' ' 459' ' ' ASP . 7.2 p -129.89 143.82 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.281 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.41 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 2.1 mtmp? -76.98 159.77 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.434 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.3 tt0 -58.14 -40.57 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.737 ' HB2' HG22 ' A' ' 455' ' ' VAL . 60.4 m-20 -65.07 -32.4 74.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.564 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -50.74 -48.48 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -54.2 -25.36 22.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.462 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.3 OUTLIER -91.22 16.92 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 466' ' ' LEU . 0.0 OUTLIER -45.32 -21.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.462 ' N ' ' C ' ' A' ' 462' ' ' GLN . 3.5 tttt -57.98 -35.0 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.84 53.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.6 OUTLIER -71.84 -30.94 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.487 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.4 OUTLIER -54.6 -20.91 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.01 7.59 44.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 11.18 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 108.283 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.487 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 1.4 mtt180 -61.08 156.44 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.547 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -165.23 179.01 39.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -126.97 162.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.475 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 19.2 p90 -163.1 155.06 15.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 119.38 5.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.04 -35.95 79.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.624 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.3 OUTLIER -63.57 -26.17 68.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.943 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -87.94 1.55 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.943 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -132.17 177.67 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 145.46 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -77.81 141.18 39.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.757 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 77.7 t -112.69 116.77 47.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 112.91 130.59 5.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.61 108.34 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.997 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.35 171.16 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -166.44 153.33 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.04 110.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -163.22 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.61 142.83 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.03 -172.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 174.08 149.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 3.9 p -166.2 132.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -142.09 165.41 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.69 179.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.3 117.54 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -163.89 110.98 0.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.2 Cg_endo -74.96 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 288' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 179.78 170.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -179.83 -178.77 48.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -176.24 -177.07 44.96 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.04 177.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 292' ' ' THR . 10.0 t -172.2 110.51 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.71 2.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -173.25 174.28 45.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -176.8 174.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 296' ' ' THR . . . . . 0.605 ' O ' HD12 ' A' ' 297' ' ' LEU . 13.9 t -171.91 172.83 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 297' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 296' ' ' THR . 0.0 OUTLIER -173.6 116.43 0.36 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 298' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 299' ' ' LYS . 18.3 Cg_endo -74.99 -76.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 299' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 298' ' ' PRO . 0.0 OUTLIER 81.87 106.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 57.0 p -120.8 108.96 36.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 157.16 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.53 -53.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.884 ' HG3' HG21 ' A' ' 425' ' ' THR . 3.2 tt0 -59.65 121.98 12.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 304' ' ' LEU . . . . . 0.469 ' O ' ' OD2' ' A' ' 424' ' ' ASP . 13.7 tp -172.67 84.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -93.28 117.48 30.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 175.92 174.39 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 152.15 155.14 6.91 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo -75.0 145.43 31.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.4 Cg_endo -74.98 161.79 38.26 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.6 p -114.25 104.67 54.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.01 143.63 29.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.2 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 69.67 5.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.46 109.18 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.01 45.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 318' ' ' PRO . 0.7 OUTLIER -50.09 -51.29 63.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.45 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 318' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 317' ' ' THR . 18.3 Cg_endo -75.01 -174.2 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 6.9 t 66.05 120.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.79 -76.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 321' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 322' ' ' VAL . 2.3 mt-10 179.42 175.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 321' ' ' GLU . 75.8 t -156.91 146.68 11.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -168.52 -175.1 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.14 121.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.37 121.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.26 113.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 327' ' ' ILE . . . . . 0.416 ' O ' HD12 ' A' ' 328' ' ' LEU . 1.1 pt -104.03 162.27 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 327' ' ' ILE . 0.2 OUTLIER -176.02 162.28 2.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 329' ' ' SER . . . . . 0.538 ' O ' HD22 ' A' ' 330' ' ' LEU . 0.1 OUTLIER -179.55 148.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 329' ' ' SER . 0.3 OUTLIER -150.0 133.02 16.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -118.05 173.54 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.21 159.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -149.92 161.5 42.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.5 t -167.95 154.84 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -135.01 148.72 50.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 12.2 t -131.99 127.99 21.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.98 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -158.34 158.47 34.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.95 121.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.57 161.42 28.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.057 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 8.9 p -165.89 152.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 9.0 t -168.39 163.08 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.47 145.64 11.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 19.6 p 176.14 144.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -146.34 142.48 17.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -171.23 161.58 6.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.08 171.62 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -170.84 176.63 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.318 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.09 168.26 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.49 165.12 37.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.312 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 79.0 t -136.8 147.97 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -157.54 134.0 9.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -114.76 83.37 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -172.95 -139.55 2.89 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 8.7 t -41.93 134.82 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -52.43 150.03 9.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -172.23 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.428 1.752 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -175.68 52.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -135.68 95.23 3.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -141.07 105.94 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -170.71 152.25 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -142.28 -62.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.92 76.7 0.48 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -179.5 5.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 367' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 369' ' ' THR . . . 153.68 -121.35 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.098 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 368' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 369' ' ' THR . 54.0 mt-10 67.82 -64.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 369' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 367' ' ' GLY . 70.6 p 41.45 -163.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 370' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 369' ' ' THR . . . 179.24 164.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -176.5 139.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.0 m -172.63 173.25 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.35 166.56 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -153.93 172.32 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -173.54 158.49 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 88.4 p -171.62 161.36 6.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 2.6 t -177.5 128.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.52 143.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.8 90.51 0.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -147.66 134.48 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 46.4 t -129.97 144.12 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.26 150.58 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 7.7 p -165.95 147.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -165.07 165.32 20.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 20.3 m 63.92 153.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -161.56 99.16 1.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -172.18 106.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 17.2 m -152.96 117.52 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 32.6 m -91.45 143.1 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -146.08 144.31 29.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -72.71 171.53 49.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 37.2 m -100.92 117.14 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.349 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.5 82.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.73 -60.71 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 112.42 -64.66 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 64.74 -134.93 38.04 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.32 78.29 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -88.62 -133.89 4.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -165.69 98.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.29 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -168.06 -177.03 39.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.407 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -73.95 -179.81 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 110.331 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.33 -38.13 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.424 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 6.1 m-20 -114.74 155.44 26.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.99 161.22 53.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -75.04 136.5 20.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.99 142.25 27.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.794 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.15 -22.82 17.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.5 t80 -35.82 147.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.478 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.2 mtt -106.28 -69.36 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 36.7 p90 -160.08 176.51 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.571 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.2 OUTLIER -91.23 145.24 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.0 m -132.71 161.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.558 ' N ' HG23 ' A' ' 481' ' ' VAL . 0.0 OUTLIER -134.66 126.53 29.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.767 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -67.56 155.3 39.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -125.04 -1.92 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 90.0 m-70 -148.35 170.15 18.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 419' ' ' ASP . 9.8 p-10 -108.66 102.04 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.835 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -113.83 115.87 28.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -82.62 115.01 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.835 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -110.86 117.07 32.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 39.1 p -118.79 94.2 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.469 ' OD2' ' O ' ' A' ' 304' ' ' LEU . 0.5 OUTLIER -141.61 -175.64 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.884 HG21 ' HG3' ' A' ' 303' ' ' GLN . 11.1 t -77.62 -13.97 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.12 53.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.482 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 1.9 mm-40 -97.62 171.47 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.711 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -126.57 114.46 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.736 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.0 tt0 -81.59 139.23 35.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.976 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -130.22 142.91 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' CE ' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -123.76 129.91 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.25 99.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.41 49.82 1.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.474 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 6.9 t0 -112.7 168.63 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.557 HG23 ' CB ' ' A' ' 457' ' ' GLU . 1.6 m -118.57 125.37 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.976 HG21 HD11 ' A' ' 430' ' ' LEU . 90.2 t -136.75 146.17 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.598 HD22 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.57 127.21 55.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.624 HG23 ' CG1' ' A' ' 414' ' ' VAL . 38.3 t -74.42 120.97 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.687 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.56 153.24 80.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 440' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.22 -173.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.57 -33.04 42.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -158.45 147.45 14.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -22.57 14.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.71 -16.66 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.97 -14.49 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.485 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.41 149.35 25.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -99.04 172.56 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.64 113.93 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.43 -10.37 63.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.886 ' C ' HD23 ' A' ' 452' ' ' LEU . 4.1 m95 -117.82 149.75 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.886 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -140.38 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.5 OUTLIER -90.69 112.83 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.687 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -136.69 159.03 24.39 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.971 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.1 p -121.89 142.42 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.71 . . . . 0.0 109.303 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.503 ' HG3' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -73.5 165.97 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.557 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.4 tt0 -61.21 -43.28 99.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -41.59 78.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.971 ' HB2' HG22 ' A' ' 455' ' ' VAL . 34.0 m-20 -67.13 -31.13 71.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.598 ' CE3' HD22 ' A' ' 437' ' ' LEU . 3.7 t90 -50.41 -48.01 56.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 107.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -57.22 -25.26 58.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.468 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -87.54 17.46 4.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.468 ' HA ' HD22 ' A' ' 466' ' ' LEU . 4.1 t60 -43.13 -24.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.468 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.7 OUTLIER -59.79 -46.34 89.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 465' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -139.02 42.4 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -69.59 -29.58 67.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.01 -19.48 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -103.56 7.17 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 4.18 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 156.47 27.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.711 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -161.27 177.35 37.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -112.88 157.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -163.99 152.3 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.564 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -68.11 -30.95 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.69 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -67.55 -26.65 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.898 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.78 3.91 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.898 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.7 p -131.06 -179.98 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -135.93 158.5 44.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.3 mtm180 -84.57 139.72 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 415' ' ' GLN . 95.9 t -112.52 116.06 48.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -105.93 -103.86 2.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.21 117.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.971 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -154.58 -178.66 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -158.9 -178.77 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.9 t -171.76 118.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -166.21 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.47 147.19 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.7 pp -118.42 149.34 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 136.0 23.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 13.0 p -123.69 158.43 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.56 178.97 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -163.56 -176.08 4.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.68 137.94 5.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.43 137.33 11.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -166.78 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -165.3 177.84 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -159.12 -175.54 30.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -160.83 -163.03 13.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -171.36 162.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 292' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 1.1 m -141.58 133.01 13.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 293' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -74.96 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -151.7 -167.91 15.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -161.67 118.96 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 6.3 p -87.5 -178.88 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.37 98.32 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 298' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 299' ' ' LYS . 18.3 Cg_endo -75.05 -70.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.526 1.803 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 299' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 298' ' ' PRO . 7.2 tttt 86.89 135.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 59.1 p -121.23 111.56 33.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 149.3 36.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 3.2 m -107.74 95.2 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.429 ' HB3' HG21 ' A' ' 425' ' ' THR . 56.9 mt-30 -98.55 153.29 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 77.39 64.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -93.66 151.05 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.7 158.39 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -140.8 -176.0 15.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo -75.01 152.09 40.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.96 161.91 38.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.761 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.7 p -106.53 105.84 55.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 311' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -74.99 141.6 26.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.3 Cg_endo -75.0 142.26 27.64 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -74.96 164.76 32.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.7 5.24 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -62.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 7.4 m80 65.14 170.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 317' ' ' THR . 3.6 m 59.2 74.69 0.56 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.88 4.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 10.7 t -129.76 142.82 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -163.48 178.76 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.18 171.87 9.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 2.8 p -156.36 150.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.46 119.87 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -145.62 163.47 34.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.17 169.66 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 178.55 133.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 2.4 tt -171.17 150.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 109.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 2.8 tt -179.56 132.13 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.9 t -148.76 162.43 39.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.6 pp -175.02 149.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -168.27 166.19 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.54 173.28 5.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.69 158.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 11.2 t -170.6 155.18 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.82 179.09 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.557 ' O ' HG13 ' A' ' 336' ' ' VAL . 10.7 p -174.26 106.8 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -175.31 153.45 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 339' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 339' ' ' ILE . 2.8 tp -168.63 109.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 90.9 p -120.88 123.23 42.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.57 167.26 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 10.0 t -168.71 162.02 11.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 0.6 OUTLIER -148.02 139.74 14.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 344' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.1 Cg_endo -74.98 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.435 1.755 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 97.0 p -160.57 163.34 32.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.7 123.97 13.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.87 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -139.57 157.09 46.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.44 164.09 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -156.76 172.64 18.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.17 172.03 4.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.45 149.27 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.22 172.19 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 64.63 138.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -137.47 -115.77 1.42 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 146.42 71.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 72.6 p 43.23 -163.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.68 92.76 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 155.88 42.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -97.37 163.76 12.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -134.34 141.04 46.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -108.22 178.78 21.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -150.44 155.21 39.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 0.744 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.17 165.89 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -167.8 94.15 0.64 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.78 25.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -154.69 107.06 0.31 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.64 135.01 36.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.734 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 17.4 m -154.56 133.66 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -121.3 165.77 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -140.69 121.9 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.1 128.88 46.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 178.55 109.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -145.94 154.91 42.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -171.22 131.96 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 7.6 t -148.54 148.73 30.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 13.7 t -168.06 154.49 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 8.5 t -174.29 124.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 2.1 tt -147.85 97.23 3.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -149.7 140.34 22.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.86 154.06 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.39 147.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.5 p -155.83 157.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.38 149.26 51.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 93.8 m -145.01 135.58 24.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 387' ' ' PHE . 9.6 p90 -114.88 122.52 33.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 172.9 15.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -119.44 155.27 32.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 14.9 t -108.83 140.84 41.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.86 106.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -82.94 120.65 25.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -110.72 -75.45 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 76.5 p -146.87 130.57 16.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 9.1 p -96.11 -13.0 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -177.6 114.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 172.9 -154.58 21.1 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 150.11 -166.88 30.03 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.55 -55.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 152.14 159.29 8.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -85.13 -63.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.407 ' CA ' ' OD1' ' A' ' 461' ' ' ASN . . . 65.89 163.63 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.467 ' NE ' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -37.7 148.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.7 -16.2 25.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.467 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . 2.1 m-20 -99.13 148.65 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 159.97 28.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 134.57 17.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 143.62 29.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.32 -19.64 34.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.5 t80 -37.04 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.29 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 21.9 p90 -158.6 -179.72 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.579 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.4 OUTLIER -100.84 143.51 30.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.571 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -124.23 166.85 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -134.26 121.82 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.643 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.01 154.07 38.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -124.41 -1.11 8.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.499 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 80.0 m80 -148.75 169.78 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 t70 -107.81 104.38 13.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.796 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -114.22 109.87 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.99 113.82 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.796 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -106.5 117.77 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 6.1 p -116.34 92.24 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -143.56 -174.61 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 303' ' ' GLN . 15.1 t -91.6 7.7 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.362 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -178.63 59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.1 OUTLIER -116.51 171.69 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 471' ' ' GLY . 2.4 tp -122.73 113.28 18.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.528 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.2 tt0 -80.87 135.75 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.003 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -127.58 146.34 50.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.29 125.66 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -29.99 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.91 50.83 1.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.587 ' HB3' HD12 ' A' ' 430' ' ' LEU . 3.7 t0 -113.3 166.91 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.579 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.4 OUTLIER -119.52 121.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.003 ' CG2' HD11 ' A' ' 430' ' ' LEU . 9.9 t -131.46 147.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.748 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.12 124.27 50.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.571 HG23 ' CG1' ' A' ' 414' ' ' VAL . 11.7 t -74.32 117.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.768 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -127.4 151.82 75.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.041 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.95 -173.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -83.17 -14.26 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.24 149.77 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -21.65 15.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.83 -20.47 61.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.96 -11.22 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.75 149.15 24.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -96.32 168.21 10.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.72 109.81 16.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.2 -2.5 56.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.9 OUTLIER -129.89 143.04 50.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -130.09 171.22 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.45 113.68 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.53 165.6 24.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.761 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.0 p -125.5 143.62 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -77.87 160.44 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.487 ' HB3' HG23 ' A' ' 435' ' ' VAL . 1.9 tt0 -58.22 -43.64 87.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.362 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -38.77 83.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.761 ' HB2' HG22 ' A' ' 455' ' ' VAL . 81.0 m-20 -63.31 -33.8 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.616 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 -53.5 -48.47 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ASN . . . . . 0.407 ' OD1' ' CA ' ' A' ' 402' ' ' GLY . 31.3 m-80 -53.94 -26.14 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 1.7 mm100 -108.53 19.84 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -46.24 -21.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 5.7 ttpt -57.82 -30.37 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.0 42.5 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.32 -18.5 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -115.38 5.86 14.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 22.3 m -109.94 -20.53 12.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 128.79 28.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -149.6 179.82 26.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.79 153.62 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -161.74 151.42 13.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 120.3 6.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.59 81.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.761 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.1 m-20 -61.34 -24.88 66.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.861 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -89.06 2.52 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.861 HG23 ' CD1' ' A' ' 477' ' ' PHE . 2.4 p -132.38 178.18 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -133.15 147.43 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.53 138.19 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 73.9 t -109.04 122.72 39.0 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 144.66 131.29 2.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.07 109.23 0.2 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -157.38 -173.22 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -165.42 -179.01 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 276' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 276' ' ' THR . 8.0 t -161.38 107.41 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.75 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.19 158.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -170.16 142.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.45 168.8 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.9 p -174.67 144.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -151.29 162.17 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -177.97 162.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -154.44 143.66 15.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.86 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -176.21 97.19 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.465 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.3 Cg_endo -74.99 -173.58 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.433 1.754 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 288' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 177.4 173.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.33 -179.08 48.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 290' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 291' ' ' ALA . . . 177.15 172.72 42.02 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 291' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 290' ' ' GLY . . . 178.94 132.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 p -113.8 129.78 24.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 157.86 146.71 4.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -177.05 129.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 8.7 p -105.43 -179.09 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 178.73 83.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.03 6.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.8 140.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 61.4 p -119.48 106.55 42.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 154.52 42.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.78 34.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 303' ' ' GLN . . . . . 0.508 ' HB2' HG21 ' A' ' 425' ' ' THR . 0.6 OUTLIER -83.35 161.19 21.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 17.0 mt 67.09 86.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.03 151.21 22.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.68 161.48 37.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -152.03 -171.47 19.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -75.03 143.41 28.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.4 Cg_endo -74.95 162.55 37.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.772 HG13 ' HB2' ' A' ' 476' ' ' ASN . 12.4 p -103.4 106.71 52.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 134.36 17.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 312' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 313' ' ' PRO . 18.4 Cg_endo -75.02 149.17 36.22 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.03 166.0 30.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.776 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -145.24 132.18 20.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -156.44 -65.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 14.1 p -83.42 156.6 65.7 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 1.8 t -162.9 152.47 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mptt 70.77 105.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.56 105.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 8.3 p -168.9 142.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -81.84 -177.61 6.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -171.21 175.6 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.39 155.33 41.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.348 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -176.16 3.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 327' ' ' ILE . . . . . 0.579 ' O ' HD12 ' A' ' 328' ' ' LEU . 7.6 tt -156.56 170.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.218 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 328' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 327' ' ' ILE . 7.5 mp -128.36 173.67 9.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 25.9 p -164.72 102.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 330' ' ' LEU . 2.1 mm? -85.03 162.56 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -159.79 167.66 27.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -174.84 140.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -159.68 163.34 34.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 11.8 t -173.29 171.64 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -171.88 152.39 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 336' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 336' ' ' VAL . 9.8 p -168.98 96.99 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -174.54 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.95 175.71 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 339' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 339' ' ' ILE . 0.4 OUTLIER 79.95 114.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 12.3 p -110.9 179.18 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.02 174.21 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 10.4 t -124.43 136.51 54.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 9.5 t -69.14 145.3 96.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 344' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -74.99 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 12.3 m -146.61 172.32 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 66.08 92.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' PRO . . . . . 0.551 ' O ' ' HB3' ' A' ' 348' ' ' ALA . 18.4 Cg_endo -74.91 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 348' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 347' ' ' PRO . . . 75.01 159.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.89 175.52 6.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -177.75 -173.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 353' ' ' VAL . 1.5 m -55.64 140.69 40.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.22 31.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 353' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 351' ' ' SER . 54.6 t 60.56 163.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 354' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 353' ' ' VAL . . . -136.71 152.28 50.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 176.8 -173.6 46.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -167.72 160.69 34.37 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 10.9 p -143.88 -146.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 358' ' ' GLN . . . . . 0.448 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 1.1 mt-30 168.06 -54.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 358' ' ' GLN . 18.4 Cg_endo -74.98 169.17 23.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -143.58 -68.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -162.22 170.41 19.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 176.18 -179.79 47.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 65.44 123.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -172.42 124.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -175.07 100.64 0.26 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.26 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -175.13 176.07 47.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -154.83 -48.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 72.1 p 42.5 87.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -53.84 175.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -151.32 158.17 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.2 m -157.88 170.11 23.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 110.053 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -130.45 -60.58 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . 60.07 100.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -104.38 169.04 8.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.44 147.88 25.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.967 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 21.6 m -93.57 168.25 11.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.001 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 10.5 p -136.17 -63.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.45 92.55 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 380' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 381' ' ' ALA . 18.2 Cg_endo -75.04 -33.44 4.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 380' ' ' PRO . . . 60.09 115.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.42 138.17 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 383' ' ' VAL . 10.1 m -106.7 65.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 384' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 383' ' ' VAL . 13.4 m 41.5 -161.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.48 171.27 13.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 8.9 t -103.46 171.99 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 177.53 100.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.958 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.04 17.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -127.76 173.28 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 9.6 t -151.91 170.66 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.397 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 13.4 m -115.69 147.15 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.21 -55.86 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 66.38 178.55 9.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 54.7 m 63.48 74.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 110.37 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 395' ' ' VAL . 13.6 m -71.37 73.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -176.34 124.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -52.73 154.81 5.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -110.61 -163.23 18.6 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 3.6 m -130.87 90.29 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.675 ' O ' ' HB3' ' A' ' 401' ' ' ALA . . . -171.62 -109.63 0.23 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 400' ' ' GLY . . . 83.65 -65.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.754 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 145.5 -170.24 26.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.573 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -62.72 -171.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.8 pt? -124.44 -42.27 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -116.28 155.88 27.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.61 160.13 48.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.6 18.07 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.97 137.29 21.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 91.68 -19.8 45.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.33 153.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.483 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.7 mtt -112.71 -73.98 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 13.5 p90 -160.22 179.92 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.595 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -98.04 144.23 27.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.888 HG22 ' O ' ' A' ' 436' ' ' VAL . 5.8 m -125.02 167.11 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -131.07 122.64 27.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.894 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -70.41 151.65 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -120.73 -4.4 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.526 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.3 m-70 -149.46 169.36 21.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.554 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 9.9 p-10 -103.73 102.56 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -108.35 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 26.9 m -74.96 112.7 11.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.09 117.15 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -119.32 93.06 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.436 ' HB3' ' OE1' ' A' ' 427' ' ' GLU . 9.5 t70 -139.58 -176.9 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 303' ' ' GLN . 6.2 t -74.41 -9.77 58.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -167.89 52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.707 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -98.19 162.3 13.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.625 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -116.74 114.87 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.93 135.45 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.894 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.03 144.09 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -121.91 135.47 54.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.81 108.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 90.59 43.49 4.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.536 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 26.9 t0 -109.3 170.23 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.595 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -118.49 127.55 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.888 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.0 t -136.68 139.0 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.767 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -100.91 133.74 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.483 HG12 ' SD ' ' A' ' 411' ' ' MET . 13.4 t -84.82 112.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.738 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -120.23 153.74 55.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.88 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.564 1.823 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.47 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -83.63 -9.4 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.68 148.37 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.31 19.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.92 -27.81 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -9.27 58.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.3 tt0 -80.35 149.3 30.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -100.34 173.94 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.95 93.4 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.17 -8.05 28.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.59 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -120.27 132.75 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -116.72 168.43 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.0 OUTLIER -87.13 113.63 23.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -138.55 171.84 23.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.884 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.0 p -138.15 145.77 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.737 . . . . 0.0 109.261 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.512 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 7.7 mtmt -71.54 163.76 27.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -62.57 -46.3 88.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -35.79 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.884 ' HB2' HG22 ' A' ' 455' ' ' VAL . 89.2 m-20 -67.93 -33.2 74.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.767 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.63 -47.52 63.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -54.28 -26.23 27.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.3 mm-40 -91.28 17.15 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.73 -21.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -57.87 -30.66 66.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -146.07 56.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.08 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.89 -19.43 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -107.02 9.04 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.2 5.09 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 108.26 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 151.74 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.625 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -175.69 177.75 47.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 452' ' ' LEU . 0.6 OUTLIER -124.42 163.81 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 23.0 p90 -161.0 155.01 18.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 116.9 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.38 -31.0 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -67.47 -23.69 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.957 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -92.54 4.3 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.957 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -133.17 177.72 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -132.72 151.76 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -87.42 133.23 33.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.97 116.08 65.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 162.12 157.42 8.93 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 7.7 t -175.03 96.24 0.28 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.87 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -177.51 167.58 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -172.66 165.8 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.7 m -156.63 107.81 1.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.35 2.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 278' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 279' ' ' ILE . 3.6 tt0 176.27 144.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 278' ' ' GLU . 3.6 pt -155.2 -179.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.52 161.72 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.2 p -170.48 133.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -144.96 155.9 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -154.91 -177.72 6.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.85 106.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.08 7.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -137.81 147.24 56.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -165.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -158.94 169.81 23.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -163.32 176.42 39.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -178.6 179.18 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -166.47 173.5 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 46.9 m -151.24 110.61 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.36 20.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -128.42 -159.48 10.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -171.5 75.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 296' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 297' ' ' LEU . 3.3 m -152.05 148.43 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 297' ' ' LEU . . . . . 0.661 HD23 ' CD ' ' A' ' 298' ' ' PRO . 0.0 OUTLIER 161.59 -50.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 298' ' ' PRO . . . . . 0.661 ' CD ' HD23 ' A' ' 297' ' ' LEU . 18.4 Cg_endo -74.98 114.17 3.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.17 68.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.54 135.48 22.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.963 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.67 25.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.51 74.12 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -98.26 126.78 43.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 304' ' ' LEU . . . . . 0.428 ' C ' ' OD1' ' A' ' 424' ' ' ASP . 0.1 OUTLIER -177.02 97.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 305' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 306' ' ' LYS . 7.8 mtm180 -99.0 110.44 23.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 306' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 305' ' ' ARG . 1.3 mmmt 165.57 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 144.37 138.95 3.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 308' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo -75.04 143.59 29.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 309' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.94 161.54 38.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 310' ' ' VAL . . . . . 0.727 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.8 p -117.06 104.09 51.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 152.14 40.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.91 42.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 313' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.3 Cg_endo -74.99 148.46 35.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 314' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.3 Cg_endo -75.07 69.51 5.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.74 -53.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -89.06 170.99 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 317' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 318' ' ' PRO . 1.9 m -127.9 138.34 32.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.361 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 318' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 317' ' ' THR . 18.4 Cg_endo -74.97 135.25 18.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.68 168.32 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.88 85.59 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -157.91 120.2 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 33.5 m -86.3 175.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.17 174.19 12.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -148.15 173.34 13.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -175.76 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -143.21 175.04 10.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -163.78 118.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -110.71 136.8 49.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 61.8 p -157.81 147.37 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.013 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.6 tp -173.66 163.89 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -169.92 171.7 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -175.03 176.66 2.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -162.33 155.99 20.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 72.5 m -153.33 135.16 14.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.448 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -179.32 3.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 5.4 p -161.42 121.07 1.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -166.62 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.757 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -175.96 159.6 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 14.8 tt -171.57 154.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 13.9 t -70.41 127.98 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 30.3 t -127.85 125.64 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' THR . . . . . 0.498 HG22 ' HD3' ' A' ' 344' ' ' PRO . 20.1 m 62.33 144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 343' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 343' ' ' THR . 2.9 t -171.01 73.44 0.54 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 344' ' ' PRO . . . . . 0.498 ' HD3' HG22 ' A' ' 342' ' ' THR . 18.2 Cg_endo -75.04 175.81 10.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 345' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 344' ' ' PRO . 4.0 p 163.56 52.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 347' ' ' PRO . 1.0 OUTLIER -70.24 -49.61 17.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 347' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 346' ' ' GLN . 18.3 Cg_endo -74.97 170.94 19.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -174.65 -66.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.45 166.35 10.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -174.22 162.39 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 39.2 p -119.15 155.68 31.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 353' ' ' VAL . 3.7 tt0 179.38 -53.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 353' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 353' ' ' VAL . 11.7 p 36.57 52.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -117.04 145.26 43.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -134.23 -172.77 12.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 119.15 140.72 6.32 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 357' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 358' ' ' GLN . 3.0 t -148.11 -52.94 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.394 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 358' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 357' ' ' THR . 72.5 mt-30 -126.49 139.89 35.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -53.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -146.75 179.52 7.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -158.28 174.71 14.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 152.63 110.73 0.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -172.58 155.23 3.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -153.36 136.11 15.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -176.13 132.76 0.41 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 107.89 -174.0 18.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.15 167.64 21.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 7.5 m -125.58 127.3 46.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.431 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -63.01 -66.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.236 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 60.61 -177.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 13.2 m 61.86 112.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.92 150.13 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.307 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -173.13 172.36 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -168.04 177.69 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.64 120.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 25.1 t -171.46 106.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 378' ' ' SER . . . . . 0.615 ' C ' HD13 ' A' ' 379' ' ' LEU . 0.1 OUTLIER -179.37 162.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.011 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.774 HD13 ' N ' ' A' ' 379' ' ' LEU . 0.0 OUTLIER -124.33 164.42 30.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.173 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 380' ' ' PRO . . . . . 0.647 ' O ' ' HB3' ' A' ' 381' ' ' ALA . 18.1 Cg_endo -75.03 -81.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 380' ' ' PRO . . . 80.41 112.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.98 158.53 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.55 121.56 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 2.4 p -80.1 143.79 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.24 174.85 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 9.6 t -131.64 162.53 30.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.444 ' O ' ' CG ' ' A' ' 387' ' ' PHE . 8.7 p90 -102.79 131.08 22.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 388' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 387' ' ' PHE . 18.2 Cg_endo -75.05 -166.39 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -114.86 -178.47 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 2.5 m -137.36 105.59 5.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.455 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 85.1 t -121.73 133.06 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -84.23 -46.46 11.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 49.52 -160.26 0.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.2 m -120.12 151.71 38.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 395' ' ' VAL . 1.4 p -171.17 115.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.37 140.55 57.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -89.82 64.52 3.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 50.82 -169.52 0.3 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.29 123.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.967 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -172.17 159.75 30.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -100.16 88.31 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 461' ' ' ASN . . . -131.76 169.61 21.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -76.3 -177.06 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.415 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.1 pt? -120.07 -40.66 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.438 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 1.2 m-20 -106.32 153.71 21.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.42 161.05 43.8 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 138.7 23.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.0 131.8 14.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 95.58 -19.71 53.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 31.9 t80 -36.84 155.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -115.96 -68.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 14.0 p90 -163.85 176.46 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 138.57 33.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.3 m -119.31 167.25 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -135.04 124.2 24.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.661 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -68.78 152.87 44.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -122.63 -2.5 8.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.9 m-70 -144.72 169.91 17.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 19.9 p-10 -110.52 104.09 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.882 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.33 123.93 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -87.65 114.58 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.882 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.63 117.13 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -120.2 93.26 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 37.2 t0 -142.99 178.61 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.4 t -74.59 -13.49 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 7.1 p-10 -159.56 49.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 424' ' ' ASP . 3.5 mm-40 -96.69 170.08 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.558 HD13 ' HA3' ' A' ' 471' ' ' GLY . 5.0 tp -127.3 113.29 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.745 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.2 tt0 -79.77 137.59 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -128.17 143.45 51.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.504 ' CD ' ' OD1' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -126.61 126.36 43.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.82 102.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.98 47.8 2.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.504 ' OD1' ' CD ' ' A' ' 431' ' ' LYS . 3.2 t70 -108.95 169.69 8.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.22 121.07 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 430' ' ' LEU . 32.9 t -136.72 139.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.865 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -100.62 133.54 44.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.607 HG23 ' CG1' ' A' ' 414' ' ' VAL . 17.9 t -82.73 119.96 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.759 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.45 152.77 78.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.75 4.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.0 -176.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -17.32 42.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -174.02 148.0 1.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.9 16.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.27 -18.41 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.17 -15.71 27.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.34 141.6 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -89.6 171.41 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.73 113.16 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.92 -7.91 63.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.964 ' C ' HD23 ' A' ' 452' ' ' LEU . 2.7 m95 -118.48 149.47 41.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.964 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -135.12 167.55 20.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.33 112.71 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.759 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.97 173.08 21.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.865 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.7 p -137.43 144.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.441 ' CG ' HG22 ' A' ' 436' ' ' VAL . 5.2 mtmp? -75.11 160.88 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 460' ' ' TRP . 15.2 tt0 -58.52 -41.64 85.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.236 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -47.7 83.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 37.3 m-20 -58.86 -32.91 69.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.625 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.4 t90 -52.58 -41.78 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ASN . . . . . 0.485 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 1.2 m120 -53.47 -25.82 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.5 OUTLIER -92.93 18.78 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 7.6 t60 -45.35 -21.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.9 OUTLIER -58.35 -30.12 66.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -158.79 51.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.433 ' HA ' ' SG ' ' A' ' 469' ' ' CYS . 1.6 pt? -70.51 -29.88 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 4.8 tt0 -54.82 -17.9 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -102.4 6.62 40.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 1.6 p -129.68 8.25 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.7 OUTLIER -56.06 154.32 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.558 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -155.99 179.47 31.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.406 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.4 t -126.25 154.48 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -161.24 151.99 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 119.45 5.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -69.37 -32.93 72.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.727 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.4 OUTLIER -66.21 -24.86 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.888 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -89.9 2.66 54.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.888 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.6 p -129.84 -179.69 5.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -82.52 136.54 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.9 135.54 19.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 89.5 p -161.85 115.3 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -152.45 173.4 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -164.97 162.78 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 22.4 p -137.22 109.73 8.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.22 20.9 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -148.93 175.81 10.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 12.7 tt -167.03 164.51 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -158.33 166.75 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 54.5 t -151.69 144.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -149.05 154.29 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -168.13 166.27 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.588 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -154.94 121.23 2.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.67 15.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.82 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.36 114.84 6.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -156.2 -172.18 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -165.55 -179.85 39.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.74 -167.18 21.82 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -137.93 150.83 47.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 63.6 p -129.58 89.1 47.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -118.6 -141.61 6.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -160.91 162.75 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 70.2 p -129.68 165.95 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.2 Cg_endo -74.93 159.78 41.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.1 p -110.73 105.4 57.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.571 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.3 pt? -119.43 -41.29 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.403 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 52.6 m-20 -112.29 154.87 25.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 160.46 56.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.635 ' HB3' HD13 ' A' ' 466' ' ' LEU . 18.5 Cg_endo -74.93 134.65 18.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.99 143.47 29.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.43 -24.52 11.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.0 t80 -36.54 147.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.428 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.2 mtt -110.05 -67.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.491 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 21.7 p90 -160.65 174.81 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.579 ' HG3' HD22 ' A' ' 437' ' ' LEU . 0.2 OUTLIER -97.03 143.91 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.55 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.1 m -125.17 168.18 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 1.4 tp60 -134.58 125.74 27.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.739 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -68.35 156.37 37.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -124.58 -1.62 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.467 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -148.61 169.7 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 2.2 p-10 -107.62 102.46 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 1.029 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.57 108.59 16.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -75.38 113.42 12.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 1.029 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.16 115.76 29.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -121.26 94.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 11.8 t0 -140.74 -176.4 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.5 t -78.17 -1.92 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.19 42.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.772 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 0.4 OUTLIER -92.36 165.05 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 454' ' ' GLY . 8.5 tp -124.39 113.54 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.503 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.5 tt0 -77.54 133.57 38.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.085 HD11 HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -125.67 144.78 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.77 131.36 51.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.26 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.19 48.38 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.53 ' OD2' HD13 ' A' ' 430' ' ' LEU . 22.7 t0 -110.35 169.07 8.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.577 HG23 ' HB3' ' A' ' 457' ' ' GLU . 0.6 OUTLIER -118.41 126.54 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.085 HG21 HD11 ' A' ' 430' ' ' LEU . 48.6 t -137.32 142.49 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.1 OUTLIER -102.77 129.41 49.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.55 HG23 ' CG1' ' A' ' 414' ' ' VAL . 4.9 t -80.5 113.32 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.754 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -123.42 152.67 64.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.95 4.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.0 -176.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -79.25 -22.24 45.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -168.13 148.12 4.31 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 441' ' ' PHE . 18.4 Cg_endo -75.01 -23.06 14.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -20.39 61.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.229 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.63 -9.58 53.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -86.48 148.81 25.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -94.81 174.47 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 108.3 18.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.01 -2.88 58.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.728 ' C ' HD23 ' A' ' 452' ' ' LEU . 2.9 m95 -123.38 147.85 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.728 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.1 OUTLIER -134.51 169.05 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.88 113.26 25.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.754 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.47 176.51 19.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.686 HG22 ' HB2' ' A' ' 459' ' ' ASP . 14.7 p -137.91 137.8 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.85 158.6 35.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.577 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.8 tt0 -58.06 -40.65 81.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -38.75 89.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.686 ' HB2' HG22 ' A' ' 455' ' ' VAL . 61.8 m-20 -63.91 -32.45 73.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.611 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.9 t90 -51.01 -47.42 61.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.07 -26.89 51.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.441 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -94.9 17.18 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -45.21 -23.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -56.91 -30.23 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.33 42.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 467' ' ' GLU . 0.1 OUTLIER -58.2 -37.57 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.702 ' N ' HD23 ' A' ' 466' ' ' LEU . 6.7 tt0 -56.53 -17.49 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -109.42 7.41 24.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.09 1.08 9.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.452 HH21 HD11 ' A' ' 466' ' ' LEU . 1.5 mtt180 -58.91 150.36 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.32 179.06 36.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 153.16 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -158.91 151.05 17.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.03 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.423 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -68.71 -33.98 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.641 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.31 -28.64 69.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.801 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -89.19 3.76 50.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.801 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -130.52 174.83 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.62 144.98 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -80.68 137.71 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 414' ' ' VAL . 38.3 t -110.32 116.85 52.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' A' ' 273' ' ' PRO . 0.4 OUTLIER -163.25 136.97 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 110.027 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 272' ' ' SER . 18.4 Cg_endo -74.97 -172.07 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -144.95 -177.97 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -153.73 -177.36 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -148.49 145.79 21.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -74.99 -171.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.89 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -144.86 122.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -104.4 178.23 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.65 137.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -142.82 170.34 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.49 -177.23 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.64 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -165.66 122.16 1.02 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -166.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -153.45 125.16 3.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -167.55 177.03 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -175.68 -179.2 46.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.23 -168.66 23.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -165.75 174.61 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.353 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 292' ' ' THR . 1.4 t -162.63 111.33 1.08 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.86 8.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 295' ' ' ALA . . . -101.82 -179.97 27.78 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 294' ' ' GLY . . . 179.91 174.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 15.9 m 62.57 158.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.95 157.36 43.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.615 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.6 p -109.26 104.96 56.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.542 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.15 -39.42 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -109.66 153.68 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.57 160.91 49.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.462 ' HB3' HD13 ' A' ' 466' ' ' LEU . 18.4 Cg_endo -74.95 135.13 18.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.5 Cg_endo -74.98 143.82 29.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.55 -24.43 12.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.0 t80 -36.5 148.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 6.6 mtt -110.5 -65.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.2 p90 -163.2 178.39 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.554 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -99.79 145.36 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.654 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.5 m -125.14 167.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.8 tp60 -134.1 118.79 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.661 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -62.83 152.44 36.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.42 -2.64 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.521 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -149.09 169.78 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 419' ' ' ASP . 0.1 OUTLIER -107.65 102.59 11.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.865 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.68 111.72 22.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.05 113.63 14.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.4 117.38 32.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 47.1 p -119.57 94.4 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -141.66 -178.81 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.8 t -84.8 9.01 15.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.81 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.34 170.99 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.609 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -127.23 113.83 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.635 ' C ' HD22 ' A' ' 430' ' ' LEU . 1.7 tt0 -79.68 138.55 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.98 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -129.84 145.49 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.46 135.16 52.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.25 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.39 48.23 1.72 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.551 ' OD2' HD13 ' A' ' 430' ' ' LEU . 28.7 t70 -110.15 168.84 9.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 457' ' ' GLU . 3.4 m -118.45 124.48 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.98 HG21 HD11 ' A' ' 430' ' ' LEU . 10.9 t -135.85 144.26 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.0 OUTLIER -104.03 131.92 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.654 HG23 ' CG1' ' A' ' 414' ' ' VAL . 38.0 t -83.67 113.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.05 152.67 60.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.52 4.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -59.08 -174.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -81.22 -28.21 34.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.38 148.57 9.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.99 15.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -16.7 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.92 -20.33 22.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -76.99 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 449' ' ' GLU . 5.6 t0 -99.35 170.09 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 1.3 mt-10 -79.79 108.83 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.59 1.84 58.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.846 ' C ' HD23 ' A' ' 452' ' ' LEU . 4.2 m95 -126.73 153.48 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.846 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -141.85 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.65 113.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.64 174.69 20.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.873 HG22 ' HB2' ' A' ' 459' ' ' ASP . 8.6 p -136.93 141.99 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.68 159.97 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.594 ' HB3' HG23 ' A' ' 435' ' ' VAL . 8.2 tt0 -57.98 -41.36 82.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -39.59 88.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.873 ' HB2' HG22 ' A' ' 455' ' ' VAL . 70.3 m-20 -63.65 -33.35 75.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.542 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.2 t90 -51.3 -47.54 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -57.83 -27.08 62.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.466 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -91.99 17.54 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -45.27 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.3 OUTLIER -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 47.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.508 HD21 HH21 ' A' ' 470' ' ' ARG . 0.0 OUTLIER -64.06 -35.89 82.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.493 ' N ' HD23 ' A' ' 466' ' ' LEU . 8.3 tt0 -55.22 -18.12 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -108.93 8.37 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 1.76 9.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.508 HH21 HD21 ' A' ' 466' ' ' LEU . 2.7 mtt180 -61.46 151.51 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.609 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -162.03 -179.5 36.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.81 155.07 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -160.24 152.06 16.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 120.09 5.92 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.546 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -68.17 -36.44 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.615 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.1 m-20 -61.56 -31.23 71.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.794 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -85.47 1.68 47.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.794 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -128.79 171.17 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -130.62 148.64 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.448 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.8 mtt180 -79.51 139.26 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.505 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 87.4 t -110.92 116.04 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 19.0 t -173.23 136.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.784 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.3 41.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -115.26 -179.32 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -160.76 155.16 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.2 74.19 1.02 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.04 42.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.41 145.84 49.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 280' ' ' ARG . 3.7 mm -117.34 160.67 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.409 ' N ' HG22 ' A' ' 279' ' ' ILE . 9.7 tpp180 -134.02 141.49 47.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.98 126.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.25 157.09 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.55 175.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -156.52 148.49 17.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -173.08 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -168.25 112.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.34 14.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.78 124.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.99 -176.91 48.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 117.6 150.38 9.09 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.23 169.27 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 292' ' ' THR . 14.0 t -170.76 64.58 0.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.0 116.77 4.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 124.43 115.69 2.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -145.35 47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.6 p -116.03 103.14 10.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 110.407 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -75.04 160.88 39.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.654 HG13 ' HB2' ' A' ' 476' ' ' ASN . 8.2 p -107.46 104.53 52.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.49 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -41.67 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.77 155.55 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.22 160.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.413 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -75.01 134.38 17.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.94 142.88 28.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.23 -22.61 18.51 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.2 t80 -36.48 152.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -113.59 -67.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 18.9 p90 -160.87 -179.78 7.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.632 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -100.04 146.12 27.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 436' ' ' VAL . 6.3 m -125.87 166.21 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 7.5 tp60 -134.24 118.72 17.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.812 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.72 151.05 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.16 -3.35 9.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.2 m-70 -147.75 169.7 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.635 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -107.64 103.36 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.951 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -116.2 109.71 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.2 m -76.78 114.06 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.426 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.951 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.76 115.43 28.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' A' ' 423' ' ' THR . 0.5 OUTLIER -120.6 93.82 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 11.3 t0 -140.6 -175.51 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.1 t -79.19 -4.88 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -166.76 42.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.723 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -91.85 164.94 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 10.5 tp -124.78 112.86 17.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.746 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.3 tt0 -77.56 137.57 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.908 HD11 HG21 ' A' ' 436' ' ' VAL . 4.6 mm? -130.65 143.75 50.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -125.56 129.69 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.87 104.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.73 47.02 2.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.539 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 35.5 t0 -110.25 169.86 8.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 457' ' ' GLU . 2.3 m -119.47 125.48 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.908 HG21 HD11 ' A' ' 430' ' ' LEU . 12.7 t -136.83 145.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.722 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -108.7 129.42 55.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.462 HG23 ' CG1' ' A' ' 414' ' ' VAL . 22.6 t -79.27 119.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.754 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.17 153.27 76.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.09 -177.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.77 -31.2 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.69 146.37 16.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.38 16.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.76 -25.51 63.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -14.97 45.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.0 tt0 -77.97 146.2 35.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -98.97 169.26 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.83 106.73 14.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.4 58.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -121.0 137.42 54.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.937 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.96 170.58 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.7 OUTLIER -87.9 113.03 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.754 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -129.55 175.39 19.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.722 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.5 p -136.83 139.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 0.724 . . . . 0.0 109.294 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -76.91 159.85 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.641 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -57.85 -37.31 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -42.83 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.448 ' HB2' HG22 ' A' ' 455' ' ' VAL . 1.2 m-20 -62.69 -32.26 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.267 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -51.06 -47.49 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 107.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -53.79 -26.35 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -89.03 16.1 7.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 13.5 t60 -45.37 -22.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 462' ' ' GLN . 30.0 pttt -58.7 -39.13 79.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -148.46 51.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -30.31 67.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.483 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 23.6 mt-10 -55.54 -17.62 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.72 7.8 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.69 10.74 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.483 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.4 mtm180 -60.63 154.28 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.427 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -161.6 -179.03 36.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -129.37 160.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.452 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.3 p90 -162.1 156.34 18.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.937 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.8 tt0 -68.07 -33.11 73.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.654 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.61 -32.24 73.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.939 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -82.38 1.81 35.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.939 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -131.12 175.55 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -129.56 154.48 47.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.522 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 11.4 mtt180 -89.67 140.74 29.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.632 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 45.3 t -112.39 116.03 49.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 111.034 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.75 116.29 0.52 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.968 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.44 2.88 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -128.26 -174.69 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -149.96 -178.06 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.5 t -155.07 133.16 6.81 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.052 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -144.66 150.18 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.8 mp -126.79 135.54 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -123.36 167.87 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.9 p -161.2 127.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -118.07 169.6 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.17 173.81 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -161.97 107.11 1.15 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -120.84 155.96 56.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -130.16 172.86 11.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -118.89 -160.41 11.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -153.68 -147.47 4.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -164.23 -176.08 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 8.8 t -143.99 144.94 28.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.4 Cg_endo -75.04 -169.04 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.9 -160.31 10.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -166.55 155.16 10.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.0 m -127.98 133.11 49.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.97 39.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 476' ' ' ASN . 11.3 p -115.04 103.81 54.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.21 -38.72 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -115.97 154.75 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 160.38 59.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 134.39 17.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.565 1.824 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.03 144.5 30.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.49 -22.6 12.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.8 t80 -36.82 151.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -112.45 -69.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 21.6 p90 -160.56 175.87 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.556 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -95.72 145.8 25.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.663 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.3 m -128.62 163.75 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 2.2 tp60 -132.23 120.12 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.727 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -64.41 156.27 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.56 0.02 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 84.1 m-70 -146.2 169.79 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.611 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -110.17 101.96 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.856 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -114.74 112.22 22.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.36 112.78 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.856 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -107.46 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 43.3 p -119.39 93.94 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -141.99 -178.01 5.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.6 t -79.83 -3.49 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.4 OUTLIER -170.53 46.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.86 171.17 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 7.8 tp -125.42 117.4 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.684 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.1 tt0 -84.09 138.34 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.057 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -130.49 145.66 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -127.83 129.14 46.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.46 98.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.66 46.56 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.543 ' OD2' HD13 ' A' ' 430' ' ' LEU . 33.3 t70 -110.77 163.67 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.791 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.1 m -113.52 126.53 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.057 HG21 HD11 ' A' ' 430' ' ' LEU . 54.3 t -137.33 145.17 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.679 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -107.42 126.35 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.663 HG23 ' CG1' ' A' ' 414' ' ' VAL . 42.2 t -76.72 118.67 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.777 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.63 152.59 74.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.67 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.58 -172.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.5 -26.62 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -166.95 147.66 5.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.06 19.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.04 -13.41 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -97.18 -22.27 16.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -75.02 145.13 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -95.06 168.63 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 111.61 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.28 -11.87 63.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.9 m95 -116.06 149.35 39.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -139.14 172.14 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.74 113.13 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.777 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.0 175.61 19.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.548 HG13 ' HG ' ' A' ' 437' ' ' LEU . 9.1 p -137.94 136.48 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -73.05 160.14 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.586 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.7 tt0 -58.17 -37.88 75.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -45.07 88.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 8.2 m-20 -60.18 -31.69 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.679 ' CE3' HD11 ' A' ' 437' ' ' LEU . 4.3 t90 -50.93 -47.96 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.042 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -55.74 -25.81 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' A' ' 464' ' ' LYS . 63.2 mm-40 -92.11 17.18 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 6.8 t60 -45.73 -22.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 462' ' ' GLN . 6.7 tttm -58.21 -34.69 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.76 53.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.674 HD21 HH21 ' A' ' 470' ' ' ARG . 0.1 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.46 ' N ' HD23 ' A' ' 466' ' ' LEU . 7.1 tt0 -52.81 -34.52 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -96.54 9.53 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.11 5.07 8.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.674 HH21 HD21 ' A' ' 466' ' ' LEU . 4.9 mtt180 -62.46 154.99 26.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.01 -179.69 34.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.61 155.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.432 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 15.1 p90 -163.82 153.18 12.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 119.95 5.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.6 OUTLIER -67.19 -42.19 84.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.781 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -57.17 -28.91 63.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.873 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -83.91 2.44 38.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.873 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.15 175.62 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.02 144.01 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.7 mtt180 -80.64 135.48 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.494 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 57.9 t -106.5 115.53 60.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 59.5 p -177.3 111.86 0.23 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.553 0.796 . . . . 0.0 110.008 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.67 2.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -158.07 175.16 14.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -171.06 177.16 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.62 109.63 0.96 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.41 154.63 23.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.6 tt -166.56 156.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -168.36 136.77 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.49 137.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -153.51 140.49 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -171.93 153.42 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.568 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.11 109.51 0.41 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.84 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -177.73 91.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.3 Cg_endo -74.97 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 178.12 161.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 157.05 168.71 20.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 158.91 147.12 4.75 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -178.08 143.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.9 m -159.79 122.92 1.95 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 295' ' ' ALA . . . -174.45 -126.23 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 294' ' ' GLY . . . 71.55 152.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 13.4 t -168.66 157.47 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 161.08 39.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 476' ' ' ASN . 10.5 p -106.02 105.79 54.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 0.7 OUTLIER -118.21 -38.57 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 14.4 m-20 -115.51 154.72 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.58 159.59 55.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.57 -22.16 18.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.2 t80 -36.47 150.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.5 mtt -112.6 -69.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.7 p90 -158.76 -179.61 8.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.83 145.35 28.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.645 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.9 m -125.05 167.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.6 tp60 -133.79 124.51 26.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 1.061 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -67.92 154.16 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -122.87 -3.48 8.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.0 m-70 -149.62 170.08 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.01 101.94 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.871 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.4 111.67 22.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -79.53 114.48 18.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.871 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -111.34 117.52 33.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.1 p -119.09 94.53 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 0.7 OUTLIER -140.7 -175.17 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 7.9 t -74.46 -16.6 60.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.43 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -164.38 53.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 2.3 mm-40 -94.34 171.35 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.526 HD13 ' HA3' ' A' ' 471' ' ' GLY . 4.6 tp -122.71 114.91 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.633 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -85.15 131.29 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.061 HD12 ' HB2' ' A' ' 416' ' ' ALA . 2.7 mm? -121.95 146.69 46.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 127.59 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.95 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 92.85 50.21 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.549 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 4.2 t70 -110.64 168.49 9.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.619 HG23 ' CB ' ' A' ' 457' ' ' GLU . 5.4 m -120.1 117.41 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 455' ' ' VAL . 2.8 t -128.77 149.13 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.741 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.07 133.2 53.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.645 HG23 ' CG1' ' A' ' 414' ' ' VAL . 37.5 t -83.39 118.64 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.48 153.86 75.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 2.0 pm0 -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -169.69 145.11 2.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.51 17.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -67.67 -28.51 67.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 3.0 mt-10 -91.05 -15.86 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.6 tt0 -74.14 133.74 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.481 ' CG ' ' HB2' ' A' ' 451' ' ' TRP . 2.9 p-10 -80.73 175.78 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 120.48 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.26 -15.42 57.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.2 OUTLIER -123.45 159.71 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -143.88 170.95 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.427 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.1 112.76 23.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.03 175.82 20.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.741 HG13 ' HG ' ' A' ' 437' ' ' LEU . 13.1 p -137.89 145.14 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.257 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.549 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 2.4 mtmp? -80.66 160.05 25.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.619 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.5 tt0 -56.88 -41.79 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -40.2 95.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.016 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.678 ' HB2' HG22 ' A' ' 455' ' ' VAL . 65.1 m-20 -63.14 -32.83 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.729 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.72 -47.68 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.79 -26.98 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -94.26 16.45 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.11 -23.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -58.4 -31.65 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -130.52 43.0 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 2.9 pp -55.05 -31.2 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -24.02 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -112.03 7.7 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 -10.4 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 8.0 mtm180 -60.22 149.07 34.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.526 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -162.22 -179.33 36.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.415 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -124.66 152.96 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -157.76 149.23 16.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 119.57 5.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.39 -31.83 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.662 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.7 OUTLIER -66.22 -30.35 70.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.849 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.48 3.75 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.849 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -130.79 176.43 8.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 146.83 51.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.3 140.62 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.55 115.75 48.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.82 101.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.99 151.15 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -177.07 151.74 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 276' ' ' THR . 10.0 t -174.88 108.89 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.97 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -169.88 153.25 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 5.6 tt -174.15 158.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -178.74 100.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 282' ' ' ASN . 3.3 t -103.14 158.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . 0.405 ' N ' ' CG1' ' A' ' 281' ' ' VAL . 15.6 p-10 -168.07 148.88 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -171.28 149.05 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -176.1 115.96 0.28 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.61 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.15 116.8 1.1 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -178.72 4.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.82 159.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 121.36 146.05 7.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 167.19 105.48 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -172.33 124.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 0.0 OUTLIER -131.39 153.14 81.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 177.94 7.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 179.6 87.25 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -130.54 161.0 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.7 t -149.55 53.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.99 161.87 38.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 476' ' ' ASN . 11.5 p -109.26 105.32 57.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 179.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.655 ' CZ ' ' CE2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -50.27 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.543 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 8.5 m-20 -116.04 156.09 26.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.9 160.96 59.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.455 ' N ' ' NE2' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.98 134.34 17.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.0 145.25 31.21 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 85.2 -19.02 24.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.4 t80 -37.7 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.421 ' SD ' HG12 ' A' ' 438' ' ' VAL . 8.8 mtt -113.68 -70.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 23.1 p90 -161.47 176.88 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.654 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.684 HG11 HG23 ' A' ' 438' ' ' VAL . 1.0 OUTLIER -120.49 167.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.7 tp60 -133.61 118.12 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.817 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.19 156.97 23.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -124.97 -1.03 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.489 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.5 m-70 -148.98 169.87 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.572 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -106.98 103.91 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 1.024 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.1 t80 -115.26 113.56 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 22.1 m -80.13 114.46 19.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 1.024 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 116.34 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.0 p -120.77 94.27 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.531 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 20.9 t0 -140.56 -178.49 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.4 p -74.58 -6.01 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -168.7 47.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.83 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 1.1 tp10 -93.75 169.93 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.674 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -128.48 112.48 14.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.687 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.5 tt0 -77.87 132.35 37.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 436' ' ' VAL . 2.8 mm? -122.8 145.06 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -125.05 134.26 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.38 99.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.03 47.74 2.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.548 ' OD2' HD13 ' A' ' 430' ' ' LEU . 29.0 t70 -110.15 169.34 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.654 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -117.16 124.82 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 430' ' ' LEU . 3.3 t -137.08 139.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.803 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -99.97 130.94 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.684 HG23 HG11 ' A' ' 414' ' ' VAL . 4.3 t -80.41 110.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -120.56 153.89 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -54.86 -173.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -90.12 -31.76 16.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -156.48 146.23 15.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.82 20.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.78 -23.89 63.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.82 -21.25 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 3.0 tt0 -72.03 143.48 49.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -104.21 157.17 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.4 108.03 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.61 2.91 56.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.585 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -130.96 150.2 52.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.919 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -140.98 170.45 15.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 2.9 ttm -89.03 113.62 24.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.07 161.33 24.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.803 HG13 ' HG ' ' A' ' 437' ' ' LEU . 13.9 p -120.86 144.97 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.424 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 0.9 OUTLIER -78.73 160.8 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.54 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.3 tt0 -58.25 -40.26 81.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.672 ' HB2' HG22 ' A' ' 455' ' ' VAL . 40.6 m-20 -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.683 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.9 t90 -52.73 -47.05 67.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -63.1 -23.57 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -86.99 18.2 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 405' ' ' ASP . 2.0 t-80 -44.5 -24.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.55 -30.77 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -138.0 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 463' ' ' HIS . 0.2 OUTLIER -63.68 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -17.68 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 7.21 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . 0.413 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -114.21 -11.2 12.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 4.8 mtm180 -62.95 153.11 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.674 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -169.52 179.85 41.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 473' ' ' PHE . 2.9 t -124.18 158.56 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 472' ' ' VAL . 17.5 p90 -164.02 153.17 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.585 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 120.59 6.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.554 1.818 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.919 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.0 tt0 -67.43 -39.43 85.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.685 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.6 m-20 -58.86 -30.72 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.88 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -84.37 2.96 38.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.88 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -132.76 176.27 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -136.53 151.25 49.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 2.7 mtt180 -83.43 137.78 33.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.13 117.49 58.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.95 116.78 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -169.59 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -172.68 165.84 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -176.52 171.6 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -171.58 143.42 1.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -75.01 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.1 91.6 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.42 149.52 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -109.52 171.36 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.74 155.9 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.12 150.17 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.56 164.86 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.64 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.49 104.58 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.86 151.93 22.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.5 2.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -172.45 140.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -151.22 -177.85 25.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.53 125.9 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -153.3 132.28 12.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 292' ' ' THR . 12.0 t -114.97 107.16 50.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.57 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 147.09 105.55 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -128.71 121.68 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 21.0 m -109.56 128.53 55.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.99 161.62 38.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.0 p -111.91 105.4 56.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.475 ' NE ' ' N ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -124.84 -41.16 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -113.23 154.8 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.9 160.53 55.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.02 134.44 17.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 141.98 27.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.13 -22.84 24.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.7 t80 -36.75 147.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 111.007 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.416 ' CE ' HG12 ' A' ' 438' ' ' VAL . 7.7 mtt -108.76 -67.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 30.1 p90 -160.37 173.25 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.843 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -93.8 142.8 26.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.923 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.6 m -124.77 160.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 4.8 tp60 -129.58 125.45 36.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.762 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -69.2 146.81 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.37 -1.75 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.485 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.6 m-70 -148.62 170.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 p-10 -108.05 106.14 16.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.877 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -114.88 111.65 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 8.7 m -80.19 113.82 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.877 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.24 117.54 32.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -118.35 94.24 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -141.04 -174.78 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 7.0 t -85.06 -0.25 53.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.431 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -172.46 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.404 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 2.7 mm-40 -93.72 170.01 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.687 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.5 tp -123.64 114.35 19.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.486 ' C ' HD22 ' A' ' 430' ' ' LEU . 4.3 tt0 -83.73 135.68 34.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.063 HD11 ' CG2' ' A' ' 436' ' ' VAL . 3.7 mm? -128.79 143.98 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.95 124.83 40.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -27.23 108.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.82 48.5 3.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.68 ' HB3' HD12 ' A' ' 430' ' ' LEU . 6.0 t0 -107.03 169.09 8.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.843 HG13 ' HE3' ' A' ' 413' ' ' LYS . 13.9 t -119.31 114.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.063 ' CG2' HD11 ' A' ' 430' ' ' LEU . 68.9 t -129.65 136.17 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.8 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -102.74 128.61 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.661 HG23 ' CG1' ' A' ' 414' ' ' VAL . 45.5 t -76.65 120.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.768 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.36 153.08 80.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.6 -175.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -26.22 35.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.15 148.67 9.62 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.86 16.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -19.93 62.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.75 -10.22 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.64 152.85 22.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.415 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 13.0 t70 -108.88 164.93 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 111.0 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.25 -5.24 58.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.56 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.4 m95 -126.41 153.21 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -143.59 172.36 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.406 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -91.2 114.04 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.0 172.37 21.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.8 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.1 p -132.57 139.4 49.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.462 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -75.79 160.39 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.33 -35.96 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -43.31 75.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.468 ' HB2' HG22 ' A' ' 455' ' ' VAL . 4.9 m-20 -62.43 -32.64 73.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.8 t90 -51.7 -47.64 63.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -55.44 -25.87 38.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -90.51 16.9 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -23.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -57.65 -29.98 65.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -146.41 50.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 467' ' ' GLU . 0.2 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.589 ' HG3' HD23 ' A' ' 466' ' ' LEU . 4.5 mt-10 -57.97 -17.65 18.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -110.44 7.49 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.99 0.77 9.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.53 146.11 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.687 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -157.5 -179.95 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.5 t -124.94 154.35 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 18.1 p90 -159.61 149.56 14.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 119.14 5.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.705 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.47 -35.91 80.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.718 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.2 m-20 -62.29 -28.45 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -88.55 3.1 51.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.776 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.78 173.58 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -127.35 150.24 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -85.54 137.36 32.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.504 HG21 ' HZ3' ' A' ' 413' ' ' LYS . 46.8 t -114.43 117.71 42.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 2.8 t -173.73 113.35 0.33 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -170.12 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -168.91 165.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -152.63 173.79 14.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 4.5 m -162.08 89.54 1.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -151.0 174.42 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.2 tp -171.79 119.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.42 161.55 37.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . 0.52 HG22 ' H ' ' A' ' 282' ' ' ASN . 9.8 p -169.64 170.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . 0.52 ' H ' HG22 ' A' ' 281' ' ' VAL . 1.8 t30 -170.21 165.36 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -162.32 175.88 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.559 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.87 109.14 0.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.63 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -148.19 140.81 14.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -176.0 2.65 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -155.5 160.33 40.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -167.63 171.75 42.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -154.12 -172.47 22.14 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.78 149.72 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 52.8 m -152.68 112.92 2.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.34 35.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -108.7 -78.52 1.07 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 63.88 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.7 t -161.58 152.71 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.2 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.779 HG13 ' HB2' ' A' ' 476' ' ' ASN . 13.6 p -106.44 105.13 53.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.18 -34.52 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.51 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 7.1 m-20 -72.63 155.03 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 158.56 31.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.94 136.22 20.25 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.457 1.767 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 137.34 21.55 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.2 -23.3 15.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 25.8 t80 -36.84 152.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -115.6 -66.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.527 ' CE2' ' HD3' ' A' ' 480' ' ' ARG . 36.6 p90 -158.88 176.05 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.443 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -100.15 150.28 22.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.529 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.2 m -131.92 165.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -133.4 121.4 22.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.757 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -64.41 153.01 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -122.75 -1.48 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.1 m-70 -147.99 169.89 18.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.567 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -107.68 101.43 10.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.868 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -111.67 112.4 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.6 m -80.61 114.39 19.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.868 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.92 116.4 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.0 p -118.6 92.73 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 7.6 t0 -142.87 -174.9 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -85.83 -7.41 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -158.28 40.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -98.72 161.78 13.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -123.29 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.78 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.9 tt0 -82.26 139.05 34.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.063 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -130.17 141.59 50.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -123.02 131.43 53.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.97 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.17 44.44 3.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.589 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.8 t0 -107.03 166.34 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.566 HG23 ' CB ' ' A' ' 457' ' ' GLU . 1.2 m -114.92 124.56 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.063 HG21 HD11 ' A' ' 430' ' ' LEU . 18.9 t -136.61 144.94 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.71 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.56 132.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.529 HG23 ' CG1' ' A' ' 414' ' ' VAL . 6.0 t -84.78 118.2 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.761 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.09 152.82 73.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.53 4.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.43 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.48 -10.46 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.33 148.48 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.27 -27.86 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -86.01 -10.99 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.01 149.26 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -102.22 169.7 8.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.16 107.34 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.29 -10.24 59.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -123.53 143.27 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -131.93 172.41 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.74 112.92 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.761 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -128.37 -179.97 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 459' ' ' ASP . 11.1 p -138.97 144.7 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.27 158.72 26.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.566 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.2 tt0 -57.32 -38.2 73.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -40.04 87.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.775 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.4 m-20 -60.0 -33.14 71.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.445 ' CD1' ' HD3' ' A' ' 403' ' ' ARG . 3.7 t90 -52.52 -47.94 66.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -67.52 -25.18 65.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -85.56 18.53 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.634 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.83 -24.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.619 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.91 -32.73 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -139.01 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -32.03 70.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -61.04 -23.73 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -109.38 7.39 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -8.7 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -61.69 151.65 33.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.566 ' C ' HD12 ' A' ' 428' ' ' LEU . . . -167.11 178.59 41.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -122.17 160.08 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.5 p90 -163.39 154.04 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 117.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.0 tt0 -68.43 -29.82 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.779 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -67.56 -29.15 68.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.916 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.916 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -130.02 175.72 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.75 148.56 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.527 ' HD3' ' CE2' ' A' ' 412' ' ' PHE . 3.7 mtt180 -82.47 141.47 32.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.435 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 69.0 t -115.6 124.43 29.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 83.8 p -175.03 110.36 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 110.033 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.93 3.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 275' ' ' ALA . . . -173.99 153.48 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 274' ' ' ALA . . . 178.32 173.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.91 110.05 0.83 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.13 170.88 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.99 137.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -148.75 150.51 33.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.0 p -169.49 163.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.83 167.77 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -164.85 176.81 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -176.65 126.3 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -172.86 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.792 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.99 139.23 14.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.67 3.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -159.14 170.72 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.38 -177.24 23.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.99 -172.18 31.14 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' ' 292' ' ' THR . . . -149.73 174.87 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 292' ' ' THR . 8.3 t -175.43 69.8 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.56 12.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -157.1 -165.8 15.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -168.37 175.23 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.4 m -152.72 151.05 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 297' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -75.05 160.09 40.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.9 p -113.72 104.12 55.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.498 ' O ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.68 -34.97 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -111.71 155.35 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.7 161.4 47.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -74.99 134.96 18.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.03 137.79 22.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 92.15 -23.31 27.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.08 148.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -107.48 -69.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.2 p90 -159.98 177.11 11.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.578 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.3 OUTLIER -94.51 144.98 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.71 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.8 m -132.73 163.2 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 481' ' ' VAL . 1.5 tp60 -134.61 124.66 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.11 154.6 37.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 478' ' ' THR . 3.8 mt-30 -124.45 -1.56 8.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.476 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.0 m-70 -147.97 169.97 18.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.74 100.62 9.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.881 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -111.28 108.99 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.3 m -77.59 113.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.881 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.12 117.94 34.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.1 p -119.16 94.09 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.54 -177.51 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -84.91 6.65 24.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.42 45.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.67 170.37 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.525 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -125.53 113.52 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.424 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -81.97 135.57 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.925 HD11 ' CG2' ' A' ' 436' ' ' VAL . 3.2 mm? -126.83 147.99 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.83 129.85 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.19 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.69 47.35 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.555 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.0 t0 -111.05 166.81 10.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 457' ' ' GLU . 2.8 m -117.17 121.93 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.925 ' CG2' HD11 ' A' ' 430' ' ' LEU . 24.3 t -133.22 149.8 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.578 HD23 ' HE3' ' A' ' 413' ' ' LYS . 0.1 OUTLIER -113.71 128.29 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.71 HG23 ' CG1' ' A' ' 414' ' ' VAL . 55.9 t -77.08 120.64 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.75 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.95 4.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.44 -172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -86.5 -20.88 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.406 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -169.48 149.22 3.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . 0.406 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.01 -17.73 19.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -19.56 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -90.53 -7.99 51.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.442 ' CG ' ' HA ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -92.24 149.65 21.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.468 ' OD1' ' CD1' ' A' ' 451' ' ' TRP . 6.3 t70 -106.43 166.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.32 111.15 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 95.82 6.87 59.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.715 ' C ' HD23 ' A' ' 452' ' ' LEU . 5.2 m95 -131.57 156.02 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -146.72 169.1 19.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -90.83 112.76 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.75 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.06 166.91 24.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.898 HG22 ' HB2' ' A' ' 459' ' ' ASP . 9.7 p -129.97 145.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.498 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 3.4 mtmp? -75.99 163.75 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.582 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.5 tt0 -59.49 -44.99 92.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -40.76 75.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.898 ' HB2' HG22 ' A' ' 455' ' ' VAL . 88.9 m-20 -67.11 -31.3 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.522 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -50.08 -47.2 53.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.53 -26.58 43.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.498 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -88.5 16.57 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.483 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -45.28 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.597 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.2 mttp -58.33 -40.67 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -147.62 47.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 463' ' ' HIS . 2.1 pt? -70.8 -30.2 66.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 2.3 mt-10 -55.45 -17.17 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -101.79 8.09 41.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 469' ' ' CYS . 0.5 OUTLIER -130.3 8.51 5.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.439 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -57.12 155.3 8.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.525 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -158.24 -178.88 32.69 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.85 157.19 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -164.61 152.9 10.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.98 122.2 7.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.747 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.76 -40.54 79.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.672 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -59.21 -28.91 67.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.837 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -83.95 1.21 44.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.837 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.81 -179.92 5.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.84 154.26 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.478 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 9.2 mtt180 -78.5 138.48 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 413' ' ' LYS . 2.4 t -106.1 118.82 54.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.99 105.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 171.91 17.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.23 175.49 9.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -140.23 157.63 45.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 89.7 m -132.83 118.76 15.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.1 23.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.35 160.99 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.96 136.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.54 150.87 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.45 140.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -136.96 177.6 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.87 175.44 13.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.55 146.05 10.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.63 10.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.504 1.792 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.45 122.77 17.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.75 42.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.02 39.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.55 170.56 29.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.92 163.9 35.02 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -152.72 147.95 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 292' ' ' THR . 12.9 t -172.55 89.78 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.38 24.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . 0.643 ' O ' ' HB2' ' A' ' 295' ' ' ALA . . . -144.62 144.73 13.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 294' ' ' GLY . . . 167.04 104.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.7 p -111.73 -23.02 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.409 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -75.01 157.99 42.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 476' ' ' ASN . 5.0 p -107.83 105.05 55.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.403 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 404' ' ' LEU . 2.5 pt? -124.65 -42.42 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -114.98 155.02 27.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 160.49 58.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.69 18.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 144.19 30.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.21 -21.19 22.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.92 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.965 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -111.76 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.535 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.5 p90 -161.2 174.39 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.692 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -94.0 150.5 20.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.669 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -132.78 166.42 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 2.4 tp60 -132.82 122.95 25.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.934 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -65.39 151.5 46.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 478' ' ' THR . 4.0 mt-30 -120.48 -3.28 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.473 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.3 m-70 -149.26 169.63 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 8.4 t70 -105.64 104.39 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.898 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -114.07 108.82 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -78.71 113.6 16.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.898 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.38 118.15 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 41.7 p -118.63 94.36 4.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -141.35 -175.93 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -87.06 7.36 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -177.04 39.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.75 170.71 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.21 113.6 17.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.7 137.11 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.934 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -130.23 149.32 51.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -128.59 133.94 48.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.76 99.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.23 48.46 1.71 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.567 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 13.2 t70 -109.82 169.55 8.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.692 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.0 OUTLIER -118.46 121.49 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.472 ' C ' HD23 ' A' ' 437' ' ' LEU . 7.3 t -133.98 143.55 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.876 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.29 131.43 54.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.669 HG23 ' CG1' ' A' ' 414' ' ' VAL . 96.9 t -80.91 120.8 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.743 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.87 152.45 79.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.98 -171.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -85.21 -16.42 40.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.409 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -176.11 148.1 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . 0.409 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.1 Cg_endo -75.05 -19.7 17.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -92.49 -12.21 32.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.16 148.83 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -99.02 174.01 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.89 112.21 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.79 -9.76 62.14 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 3.0 m95 -117.18 158.82 23.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -149.45 170.85 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -91.92 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.743 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.21 175.5 19.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.876 HG13 ' HG ' ' A' ' 437' ' ' LEU . 8.9 p -136.16 142.28 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.266 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.403 ' HD2' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -79.57 159.94 26.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.518 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.3 tt0 -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.39 70.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER -60.43 -32.66 71.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.646 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.2 t90 -51.21 -47.79 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -54.37 -25.39 24.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.446 ' C ' ' N ' ' A' ' 464' ' ' LYS . 69.7 mm-40 -91.14 16.88 8.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -45.61 -22.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -57.79 -29.61 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -149.71 56.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 0.3 OUTLIER -69.52 -31.17 69.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.12 -17.89 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.05 7.78 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 -1.55 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 13.3 mtm180 -66.52 155.49 37.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.67 177.22 36.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.92 155.03 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.297 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.461 ' HB2' HD13 ' A' ' 430' ' ' LEU . 16.2 p90 -162.87 153.26 13.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.07 119.93 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.5 OUTLIER -69.16 -33.68 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.606 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -64.81 -27.81 69.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.822 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -87.11 4.52 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.822 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.42 178.82 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -133.09 144.65 50.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.46 142.25 33.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.46 115.43 34.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 94.4 p -159.96 148.53 13.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 179.19 6.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.95 170.99 14.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -143.18 174.51 10.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 0.1 OUTLIER -135.29 147.75 63.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -75.0 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -148.04 155.11 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 2.2 tt -138.35 155.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.06 167.67 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.09 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -146.64 167.91 22.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.55 174.65 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.01 147.6 19.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.68 4.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -134.47 146.11 57.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.56 14.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.574 1.828 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.0 163.41 32.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -110.55 -170.59 19.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.456 1.098 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -152.69 -155.52 7.13 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -144.74 172.47 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 6.6 m -139.44 136.08 17.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.57 -146.46 7.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -151.21 168.2 25.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 17.1 m -151.0 128.12 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -74.96 148.22 35.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.5 p -105.93 104.45 49.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.474 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -119.75 -39.7 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -112.82 153.34 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.66 161.46 53.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.98 134.28 17.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.94 141.46 26.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.769 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.64 -23.4 16.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.8 t80 -35.98 154.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -116.2 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 22.0 p90 -162.01 175.8 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 144.29 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.934 HG22 ' O ' ' A' ' 436' ' ' VAL . 5.2 m -125.6 164.73 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 2.8 tp60 -134.07 119.31 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.851 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.87 157.16 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.18 -2.38 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.7 m-70 -148.48 170.55 17.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.428 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.2 OUTLIER -109.17 104.67 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.888 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -115.2 120.39 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 55.3 m -85.02 114.86 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.888 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.97 116.56 30.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -119.1 94.4 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 16.3 t0 -141.84 -174.74 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -79.23 -14.53 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -160.22 45.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.403 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -92.35 170.58 9.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.692 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -126.29 118.24 24.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.567 ' O ' HD22 ' A' ' 430' ' ' LEU . 1.6 tt0 -84.98 127.96 34.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -117.22 145.39 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.49 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -128.05 131.01 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.73 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.66 42.39 3.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.586 ' OD2' HD13 ' A' ' 430' ' ' LEU . 12.9 t0 -103.98 164.75 11.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 457' ' ' GLU . 3.4 m -118.06 117.71 55.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.934 ' O ' HG22 ' A' ' 414' ' ' VAL . 2.5 t -131.49 141.73 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.715 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -102.15 132.32 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.628 HG23 ' CG1' ' A' ' 414' ' ' VAL . 32.5 t -80.23 116.1 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.772 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -124.08 152.93 67.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.77 4.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.443 1.759 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.85 -172.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -83.93 -20.44 32.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.89 148.16 1.66 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.89 14.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.11 -24.75 64.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.49 -12.48 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.46 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.4 142.73 29.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -84.9 173.43 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.31 108.73 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.27 -4.25 58.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.929 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.5 m95 -122.72 141.95 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.929 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.4 169.68 14.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 1.2 ttm -88.77 113.55 24.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.772 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.23 167.5 23.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.898 HG22 ' HB2' ' A' ' 459' ' ' ASP . 8.9 p -131.11 142.49 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -75.08 160.13 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.48 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.8 tt0 -57.69 -41.7 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -38.61 84.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.898 ' HB2' HG22 ' A' ' 455' ' ' VAL . 54.7 m-20 -66.14 -32.39 73.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.715 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.58 -48.53 63.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -55.93 -25.41 43.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -89.99 17.58 6.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 3.2 t60 -45.65 -22.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -58.22 -30.77 66.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -159.26 51.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -69.75 -30.19 67.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.2 OUTLIER -53.56 -20.77 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -99.83 8.11 44.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.46 6.65 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 4.0 mtm180 -60.57 152.97 24.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.692 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -160.04 -179.85 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -122.83 155.67 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -160.47 151.83 16.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.97 119.6 5.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -35.7 78.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.546 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -62.47 -31.5 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.889 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -85.04 0.72 50.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.889 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -128.71 174.39 9.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -131.56 153.07 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.9 mtt180 -86.95 133.68 33.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.267 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.14 119.59 56.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.48 107.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.016 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 274' ' ' ALA . 18.3 Cg_endo -74.94 -168.73 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 273' ' ' PRO . . . 178.05 162.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -169.33 168.02 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 9.0 m -161.15 100.86 1.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.72 145.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -169.8 123.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -140.23 121.22 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 282' ' ' ASN . 51.3 t -125.79 162.84 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . 0.432 ' N ' HG12 ' A' ' 281' ' ' VAL . 0.7 OUTLIER -169.89 163.41 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -177.74 178.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 173.49 114.26 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -174.66 92.62 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.1 Cg_endo -75.03 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 179.02 167.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 161.15 168.8 23.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 165.6 156.84 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -167.94 176.09 6.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 105.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -158.45 -161.48 11.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -178.63 156.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 78.6 m -156.16 135.05 11.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -74.98 161.02 39.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.58 HG13 ' HB2' ' A' ' 476' ' ' ASN . 9.9 p -110.6 113.67 55.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.1 pt? -119.14 -40.6 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.534 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 34.8 m-20 -112.39 155.12 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.0 161.39 58.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 134.27 17.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.03 139.28 24.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.771 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.77 -24.41 15.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.5 t80 -35.74 150.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 111.026 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.0 mtt -112.55 -68.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 17.9 p90 -160.77 177.92 9.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 146.04 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 436' ' ' VAL . 6.1 m -128.03 166.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.5 121.49 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.76 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.55 154.16 39.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -122.47 -3.39 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.518 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.1 m-70 -149.06 170.2 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 9.2 t70 -106.78 101.48 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.81 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -114.0 110.32 19.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.93 116.63 16.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.81 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 112.9 24.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . 0.546 ' N ' ' OE1' ' A' ' 427' ' ' GLU . 21.3 p -120.01 92.51 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.425 ' CB ' ' HG3' ' A' ' 427' ' ' GLU . 38.9 t0 -141.92 178.07 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.4 t -71.46 -4.51 26.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -169.73 44.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 423' ' ' THR . 1.9 mt-10 -92.09 167.93 11.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.585 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.92 119.96 30.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.74 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.4 tt0 -85.52 134.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.059 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -128.82 143.66 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.11 133.77 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.0 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.99 47.06 1.8 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.596 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 21.6 t70 -109.41 168.55 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 457' ' ' GLU . 0.8 OUTLIER -117.09 122.84 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.059 HG21 HD11 ' A' ' 430' ' ' LEU . 4.4 t -134.82 142.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.901 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -104.72 132.61 50.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.487 HG23 HG11 ' A' ' 414' ' ' VAL . 5.5 t -80.94 114.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.752 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.47 153.27 62.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.46 -178.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -87.28 0.33 55.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.54 147.34 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.27 20.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.1 -21.62 61.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -11.9 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 3.1 tt0 -84.09 144.97 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -105.27 164.39 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 108.39 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.04 -11.39 58.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.0 OUTLIER -119.31 150.93 39.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -141.14 172.1 13.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.61 114.66 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.752 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.54 169.24 23.2 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.901 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.4 p -133.03 145.53 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -78.33 160.37 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.467 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.9 tt0 -58.29 -43.73 88.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -38.54 78.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.635 ' HB2' HG22 ' A' ' 455' ' ' VAL . 3.1 m-20 -66.57 -31.44 72.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.772 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -50.51 -47.63 57.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -56.35 -25.44 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -88.07 16.82 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.8 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -45.45 -23.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.1 mtpm? -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.04 42.02 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.8 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.71 -29.89 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -55.35 -18.32 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -102.01 7.06 41.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.6 3.57 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -57.93 154.41 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.585 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -158.72 -179.69 33.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.9 156.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.507 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 22.7 p90 -160.45 149.12 13.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 119.76 5.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.725 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.3 tt0 -67.38 -37.53 83.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.58 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.3 m-20 -60.88 -28.42 68.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.85 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.52 3.01 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.85 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.91 173.36 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.29 155.87 47.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -88.58 134.96 33.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.16 117.96 58.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 112.34 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.027 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.7 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -160.75 178.67 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -167.52 175.32 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 276' ' ' THR . 6.5 t -174.23 95.61 0.31 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -175.52 2.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.05 163.47 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.2 tt -163.7 172.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -172.43 161.02 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.13 134.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -141.86 154.95 45.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.19 150.06 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.59 121.41 3.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.76 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.03 96.42 0.53 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.68 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.96 178.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 171.07 176.01 39.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 170.04 157.74 12.82 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.13 178.89 8.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.5 t -177.06 104.15 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -166.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 164.83 161.43 13.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -174.32 179.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.5 t -160.61 177.03 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.1 Cg_endo -75.07 161.88 37.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 476' ' ' ASN . 12.5 p -106.04 105.99 55.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.485 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -37.86 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.43 155.1 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.3 161.06 47.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.97 134.33 17.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 142.53 27.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.47 -22.23 14.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.2 t80 -36.09 152.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.464 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 10.0 mtt -113.02 -70.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 12.3 p90 -160.57 175.57 12.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 140.19 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.5 m -122.34 163.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 5.3 tp60 -133.88 120.05 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.729 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.58 150.09 49.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.81 -3.94 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.502 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.0 m-70 -145.88 170.44 16.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.35 105.5 15.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.912 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.7 OUTLIER -114.98 108.77 17.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -76.86 113.89 15.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.912 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -105.98 116.98 32.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 70.6 p -117.27 92.42 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -144.02 -174.13 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 1.5 t -92.02 8.44 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -178.82 61.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.523 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -119.07 171.62 8.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.88 113.99 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.618 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.6 tt0 -76.9 138.88 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 436' ' ' VAL . 3.8 mm? -130.68 136.9 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.5 127.29 50.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.532 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -30.24 105.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.34 3.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.577 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 6.5 t0 -103.52 164.66 11.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.546 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.4 m -119.05 116.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 430' ' ' LEU . 40.8 t -131.49 145.1 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.83 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -106.86 130.47 54.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.644 HG23 HG11 ' A' ' 414' ' ' VAL . 7.2 t -77.8 119.4 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.751 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.71 153.32 79.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.92 -171.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.79 -9.47 55.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 177.74 148.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.03 17.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.37 -22.99 61.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.83 -9.37 54.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.17 148.35 23.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -100.07 166.91 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.34 110.55 13.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.71 3.36 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.637 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.2 m95 -134.39 145.31 48.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -134.11 171.68 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -90.87 113.56 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.751 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.86 169.79 21.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 459' ' ' ASP . 11.1 p -132.26 145.32 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 160.42 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.546 ' HB3' HG23 ' A' ' 435' ' ' VAL . 4.5 tt0 -58.39 -42.52 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -39.15 88.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.803 ' HB2' HG22 ' A' ' 455' ' ' VAL . 82.4 m-20 -64.23 -31.71 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.83 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -51.73 -47.44 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -57.03 -25.53 58.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.499 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -89.75 17.24 6.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.8 OUTLIER -45.82 -22.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 4.8 tttt -58.59 -30.57 67.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.86 51.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.97 -30.48 67.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 3.5 mt-10 -55.67 -17.56 6.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -100.17 8.16 44.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 5.7 p -130.78 8.4 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.511 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -58.27 154.93 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -164.02 175.5 40.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.12 156.44 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -160.79 152.59 16.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.448 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -68.59 -35.09 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.694 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -63.35 -27.16 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.925 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.1 4.03 46.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.925 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -132.97 152.19 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 36.3 t -111.78 132.84 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 110.992 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 78.9 p -177.95 120.2 0.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -174.05 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -151.72 173.94 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.32 172.67 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 276' ' ' THR . 4.7 t -156.28 106.29 2.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.54 9.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.42 159.14 12.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.8 tt -169.87 132.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.79 147.75 41.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.0 p -158.18 135.03 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.87 174.32 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 285' ' ' PRO . 0.1 OUTLIER -167.06 134.23 1.95 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 284' ' ' GLU . 18.2 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -151.79 91.52 3.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.52 18.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.07 178.8 6.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 175.89 159.01 20.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 172.03 104.82 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -59.72 167.56 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 53.3 m -150.6 89.81 4.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -123.75 -136.04 4.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -159.19 158.37 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.796 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 10.9 t -115.54 149.68 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.3 p -104.91 105.75 52.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.02 -34.02 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.518 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 25.9 m-20 -75.43 156.81 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.21 158.3 34.2 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -75.03 136.91 20.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.05 139.08 23.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.75 -23.5 16.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 409' ' ' GLY . 16.3 t80 -35.67 149.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.1 mtt -112.14 -69.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 438' ' ' VAL . 19.2 p90 -154.83 179.62 8.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.733 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -103.75 142.22 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.475 HG13 HG23 ' A' ' 438' ' ' VAL . 3.1 m -124.26 164.36 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -131.33 122.15 25.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.645 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.45 153.4 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -122.19 -3.63 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.519 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -148.69 170.12 18.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.27 101.66 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.887 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -110.07 112.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.52 112.7 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.887 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -109.06 116.2 31.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.1 p -118.77 92.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.478 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 43.7 t0 -141.62 176.87 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.6 t -72.8 -3.33 24.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -175.58 56.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 472' ' ' VAL . 3.3 mm-40 -101.78 168.56 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.1 tp -118.24 113.86 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.654 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -84.73 138.22 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.974 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -130.63 145.94 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.5 129.03 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.21 105.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 91.31 49.96 2.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.486 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 39.4 t0 -113.32 170.72 8.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.733 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 2.6 m -119.31 128.37 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.974 ' CG2' HD11 ' A' ' 430' ' ' LEU . 4.7 t -137.06 144.88 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.661 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.03 133.31 52.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.78 HG21 ' CE1' ' A' ' 412' ' ' PHE . 54.2 t -82.06 117.94 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.78 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.35 151.83 75.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.75 -172.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -12.53 50.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.43 148.32 0.51 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -20.56 16.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.55 -21.54 60.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.4 -10.13 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.85 148.67 25.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 15.7 t0 -91.83 172.22 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.16 106.98 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 102.24 -7.87 54.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.611 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -122.41 135.45 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 472' ' ' VAL . 0.0 OUTLIER -119.01 168.3 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -87.47 113.18 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.78 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.91 175.89 20.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.598 HG13 ' HG ' ' A' ' 437' ' ' LEU . 8.5 p -136.77 145.31 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -80.09 159.34 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.568 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.1 tt0 -57.73 -37.36 73.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -44.57 95.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.595 ' HB2' HG22 ' A' ' 455' ' ' VAL . 35.8 m-20 -59.7 -32.2 70.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.661 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 -51.13 -48.18 61.84 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -68.8 -25.97 64.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -86.72 19.04 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -44.92 -23.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.578 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -56.86 -30.19 63.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.01 45.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -68.77 -42.94 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.596 ' N ' HD23 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -60.52 -16.19 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 7.48 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -122.41 0.11 9.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -55.04 134.26 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.468 ' O ' ' HE2' ' A' ' 453' ' ' MET . . . -157.82 179.86 33.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.606 HG22 ' OE2' ' A' ' 427' ' ' GLU . 3.1 m -122.67 166.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 24.5 p90 -160.62 154.43 19.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.611 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.03 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 475' ' ' GLU . 1.6 tt0 -67.76 -29.5 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.692 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.2 m-20 -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.891 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -91.15 5.06 50.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.891 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -131.74 174.37 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.57 155.64 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.9 mtm-85 -89.24 140.33 29.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.479 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 43.0 t -110.28 119.2 47.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 20.8 t -168.43 94.55 0.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.5 5.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -175.1 143.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -175.35 137.05 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 8.0 m -161.37 107.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.53 107.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.679 HD13 ' N ' ' A' ' 280' ' ' ARG . 0.1 OUTLIER -168.84 119.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.679 ' N ' HD13 ' A' ' 279' ' ' ILE . 0.1 OUTLIER -179.72 170.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 73.3 t 64.0 124.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 5.2 p30 178.48 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -171.01 174.9 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.92 103.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -179.34 71.1 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.73 17.75 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -175.76 174.63 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 150.16 151.39 5.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . 0.547 ' O ' ' HB2' ' A' ' 291' ' ' ALA . . . 149.93 149.51 5.02 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 290' ' ' GLY . . . 171.91 168.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 7.1 t -163.51 144.7 7.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -99.03 -151.84 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 296' ' ' THR . . . -178.96 170.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 295' ' ' ALA . 13.6 t 49.55 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.1 Cg_endo -75.02 162.68 36.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.2 p -104.89 105.69 52.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.958 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.494 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 -41.83 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -111.49 154.2 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.76 159.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.98 133.86 17.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.05 142.87 28.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.72 -22.84 15.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.4 t80 -36.59 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 0.784 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.5 mtt -115.19 -72.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.577 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 20.7 p90 -159.39 173.41 16.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.662 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -95.87 143.42 27.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.579 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -127.62 164.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -129.56 126.38 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.765 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -70.21 151.92 44.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -120.29 -3.12 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.516 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.0 m-70 -145.94 170.86 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.555 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.31 105.82 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.873 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -113.27 117.15 31.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 7.1 m -86.56 113.01 22.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.873 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -106.34 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 45.2 p -115.14 90.78 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -145.08 176.59 9.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.2 t -85.76 13.49 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 176.84 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.503 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.2 OUTLIER -120.47 172.4 7.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.581 HD13 ' HA3' ' A' ' 471' ' ' GLY . 2.3 tp -122.19 113.14 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.408 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.1 tt0 -82.93 123.28 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.918 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -112.06 149.12 32.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.6 131.39 46.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.333 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.0 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.27 49.47 2.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.546 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.6 t0 -111.45 170.24 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.662 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 1.6 m -119.27 123.39 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 430' ' ' LEU . 2.3 t -135.66 142.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -106.11 132.34 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.579 HG23 ' CG1' ' A' ' 414' ' ' VAL . 69.7 t -82.0 115.94 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.755 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -125.54 152.11 71.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.22 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -25.18 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -167.25 148.84 5.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.3 Cg_endo -75.02 -18.07 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -19.35 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -94.07 -6.52 44.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.01 150.11 21.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 24.0 t0 -98.47 171.05 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -83.38 108.5 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.48 -8.37 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.71 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.4 OUTLIER -123.46 135.48 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.71 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -122.73 170.9 9.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.7 ttm -86.68 113.19 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.755 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.54 172.28 21.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.3 p -136.17 144.99 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 109.268 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -76.43 160.76 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 435' ' ' VAL . 10.0 tt0 -59.26 -41.54 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -43.69 98.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.61 ' HB2' HG22 ' A' ' 455' ' ' VAL . 27.5 m-20 -59.78 -34.13 72.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.513 ' HB2' HD11 ' A' ' 437' ' ' LEU . 5.2 t90 -52.7 -43.14 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . 0.508 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 1.1 m120 -53.82 -26.59 24.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 39.8 mm-40 -96.37 19.5 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -44.74 -22.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.546 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 11.9 tttm -57.14 -29.67 63.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -149.35 52.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -32.08 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -18.4 7.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -106.04 7.7 31.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.8 7.88 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -61.61 152.19 31.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.581 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -161.67 -179.58 36.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -129.48 158.95 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.24 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.4 p90 -164.33 157.02 14.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 118.1 5.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.81 -31.74 70.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.698 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -65.93 -30.94 71.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.934 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -84.01 3.74 33.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.934 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -131.0 176.92 7.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -132.2 144.68 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.577 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.0 mtt180 -78.65 139.47 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.518 HG23 ' HA ' ' A' ' 414' ' ' VAL . 40.0 t -114.01 117.41 43.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 110.968 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 26.0 t -169.06 128.56 0.96 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -146.17 177.87 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.67 174.29 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 37.4 p -146.0 144.29 21.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -74.97 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.59 167.49 22.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.5 tp -142.68 137.18 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -119.01 170.96 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.7 p -144.22 166.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -148.05 174.65 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -141.7 178.11 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.19 146.55 37.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -171.01 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -138.59 149.02 61.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.77 2.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -148.18 178.98 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -133.39 -167.58 11.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -155.18 -155.66 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -157.28 -178.86 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 7.7 t -148.14 145.76 21.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.04 -169.61 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -125.46 -148.69 7.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -165.21 154.42 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 20.1 p -118.76 -172.71 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.624 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.4 p -106.1 104.53 50.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.534 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.04 -39.17 3.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.469 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 7.3 m-20 -111.15 154.69 23.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.67 160.33 56.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.0 135.68 19.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.94 143.63 29.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.0 -24.22 9.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.9 t80 -36.23 154.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.24 -67.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 38.1 p90 -161.43 177.78 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.757 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -97.92 151.0 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.552 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -132.72 166.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 4.3 tp60 -134.07 118.97 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.828 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.97 157.36 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -124.8 -3.41 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.542 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 83.4 m-70 -144.97 170.81 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.604 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 13.7 t70 -109.37 102.29 11.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.97 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -115.81 108.55 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.6 112.88 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.97 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.81 114.98 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 15.3 p -121.22 93.7 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 427' ' ' GLU . 26.2 t0 -141.2 -178.19 5.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . 0.523 HG23 ' OD2' ' A' ' 426' ' ' ASP . 15.1 t -77.51 -5.06 48.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 425' ' ' THR . 9.7 m-20 -164.71 43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.523 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -97.67 165.92 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.547 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -127.43 113.25 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.604 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.1 tt0 -76.44 137.16 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.929 HD11 HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -130.38 142.79 50.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.468 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.36 132.37 53.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.79 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.11 47.13 1.92 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.497 ' OD2' HD13 ' A' ' 430' ' ' LEU . 23.9 t70 -109.1 166.89 10.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.445 HG12 ' HE3' ' A' ' 413' ' ' LYS . 1.9 m -116.4 122.74 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.929 HG21 HD11 ' A' ' 430' ' ' LEU . 2.6 t -134.58 146.2 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.0 OUTLIER -106.43 132.46 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.552 HG23 ' CG1' ' A' ' 414' ' ' VAL . 20.4 t -81.82 113.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.739 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.91 153.06 63.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.93 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 111.021 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.0 -34.54 32.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -154.26 144.55 15.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.91 18.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.15 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -92.96 -16.91 24.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -71.96 144.66 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -95.34 171.2 8.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 99.4 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.49 -3.44 34.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.639 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.3 m95 -124.22 146.46 48.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -134.01 169.67 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -87.71 112.12 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.739 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.23 165.75 23.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.737 HG22 ' HB2' ' A' ' 459' ' ' ASP . 7.2 p -129.89 143.82 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.281 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.41 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 2.1 mtmp? -76.98 159.77 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.434 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.3 tt0 -58.14 -40.57 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.737 ' HB2' HG22 ' A' ' 455' ' ' VAL . 60.4 m-20 -65.07 -32.4 74.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.564 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -50.74 -48.48 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -54.2 -25.36 22.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.551 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -91.22 16.92 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -45.32 -21.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.462 ' N ' ' C ' ' A' ' 462' ' ' GLN . 3.5 tttt -57.98 -35.0 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.84 53.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.6 OUTLIER -71.84 -30.94 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.487 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.4 OUTLIER -54.6 -20.91 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.01 7.59 44.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 11.18 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 108.283 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.487 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 1.4 mtt180 -61.08 156.44 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.547 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -165.23 179.01 39.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -126.97 162.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.475 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 19.2 p90 -163.1 155.06 15.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 119.38 5.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.04 -35.95 79.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.624 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.3 OUTLIER -63.57 -26.17 68.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.943 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -87.94 1.55 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.943 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -132.17 177.67 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 145.46 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -77.81 141.18 39.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.757 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 77.7 t -112.69 116.77 47.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.61 108.34 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.997 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.35 171.16 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -166.44 153.33 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.04 110.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -163.22 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.61 142.83 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.03 -172.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 174.08 149.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 3.9 p -166.2 132.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -142.09 165.41 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.69 179.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.3 117.54 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -163.89 110.98 0.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.2 Cg_endo -74.96 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 179.78 170.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -179.83 -178.77 48.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -176.24 -177.07 44.96 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.04 177.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 292' ' ' THR . 10.0 t -172.2 110.51 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.71 2.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -173.25 174.28 45.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -176.8 174.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . 0.605 ' O ' HD12 ' A' ' 297' ' ' LEU . 13.9 t -171.91 172.83 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 296' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.4 Cg_endo -74.98 161.79 38.26 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.6 p -114.25 104.67 54.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.886 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.407 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.33 -38.13 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.424 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 6.1 m-20 -114.74 155.44 26.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.99 161.22 53.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -75.04 136.5 20.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.99 142.25 27.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.794 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.15 -22.82 17.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.5 t80 -35.82 147.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.478 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.2 mtt -106.28 -69.36 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 36.7 p90 -160.08 176.51 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.571 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.2 OUTLIER -91.23 145.24 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.0 m -132.71 161.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.558 ' N ' HG23 ' A' ' 481' ' ' VAL . 2.3 tp60 -134.66 126.53 29.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.767 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -67.56 155.3 39.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.04 -1.92 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 90.0 m-70 -148.35 170.15 18.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 419' ' ' ASP . 9.8 p-10 -108.66 102.04 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.835 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -113.83 115.87 28.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -82.62 115.01 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.835 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -110.86 117.07 32.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 39.1 p -118.79 94.2 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.44 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.61 -175.64 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.1 t -77.62 -13.97 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.12 53.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.482 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 1.9 mm-40 -97.62 171.47 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.711 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -126.57 114.46 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.736 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.0 tt0 -81.59 139.23 35.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.976 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -130.22 142.91 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.45 ' CE ' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -123.76 129.91 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.25 99.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.41 49.82 1.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.474 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 6.9 t0 -112.7 168.63 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.557 HG23 ' CB ' ' A' ' 457' ' ' GLU . 1.6 m -118.57 125.37 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.976 HG21 HD11 ' A' ' 430' ' ' LEU . 90.2 t -136.75 146.17 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.598 HD22 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.57 127.21 55.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.624 HG23 ' CG1' ' A' ' 414' ' ' VAL . 38.3 t -74.42 120.97 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.687 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.56 153.24 80.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.22 -173.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.57 -33.04 42.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -158.45 147.45 14.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -22.57 14.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.71 -16.66 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.97 -14.49 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.485 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.41 149.35 25.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -99.04 172.56 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.64 113.93 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.43 -10.37 63.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.886 ' C ' HD23 ' A' ' 452' ' ' LEU . 4.1 m95 -117.82 149.75 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.886 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -140.38 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.5 OUTLIER -90.69 112.83 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.687 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -136.69 159.03 24.39 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.971 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.1 p -121.89 142.42 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.71 . . . . 0.0 109.303 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.503 ' HG3' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -73.5 165.97 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.557 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.4 tt0 -61.21 -43.28 99.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -41.59 78.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.971 ' HB2' HG22 ' A' ' 455' ' ' VAL . 34.0 m-20 -67.13 -31.13 71.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.598 ' CE3' HD22 ' A' ' 437' ' ' LEU . 3.7 t90 -50.41 -48.01 56.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 107.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -57.22 -25.26 58.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.468 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -87.54 17.46 4.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.468 ' HA ' HD22 ' A' ' 466' ' ' LEU . 4.1 t60 -43.13 -24.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.468 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.7 OUTLIER -59.79 -46.34 89.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -139.02 42.4 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -69.59 -29.58 67.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.01 -19.48 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -103.56 7.17 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 4.18 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 156.47 27.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.711 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -161.27 177.35 37.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -112.88 157.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -163.99 152.3 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.564 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -68.11 -30.95 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.69 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -67.55 -26.65 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.898 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.78 3.91 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.898 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.7 p -131.06 -179.98 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -135.93 158.5 44.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.3 mtm180 -84.57 139.72 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 415' ' ' GLN . 95.9 t -112.52 116.06 48.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.21 117.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.971 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -154.58 -178.66 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -158.9 -178.77 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.9 t -171.76 118.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -166.21 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.47 147.19 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.7 pp -118.42 149.34 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 136.0 23.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 13.0 p -123.69 158.43 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.56 178.97 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -163.56 -176.08 4.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.68 137.94 5.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.43 137.33 11.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -166.78 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -165.3 177.84 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -159.12 -175.54 30.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -160.83 -163.03 13.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -171.36 162.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 1.1 m -141.58 133.01 13.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -74.96 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -151.7 -167.91 15.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -161.67 118.96 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 6.3 p -87.5 -178.88 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.96 161.91 38.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.761 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.7 p -106.53 105.84 55.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.03 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.467 ' NE ' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.7 -16.2 25.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.467 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . 2.1 m-20 -99.13 148.65 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 159.97 28.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.558 ' HA ' ' CE1' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.99 134.57 17.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 143.62 29.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.32 -19.64 34.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.5 t80 -37.04 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.29 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 21.9 p90 -158.6 -179.72 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.579 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.4 OUTLIER -100.84 143.51 30.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.571 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -124.23 166.85 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 6.8 tp60 -134.26 121.82 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.643 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.01 154.07 38.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -124.41 -1.11 8.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.499 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.8 m-70 -148.75 169.78 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 t70 -107.81 104.38 13.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.796 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -114.22 109.87 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.99 113.82 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.796 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -106.5 117.77 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 6.1 p -116.34 92.24 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -143.56 -174.61 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -91.6 7.7 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -178.63 59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.1 OUTLIER -116.51 171.69 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 471' ' ' GLY . 2.4 tp -122.73 113.28 18.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.528 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.2 tt0 -80.87 135.75 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.003 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -127.58 146.34 50.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.29 125.66 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -29.99 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.91 50.83 1.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.587 ' HB3' HD12 ' A' ' 430' ' ' LEU . 3.7 t0 -113.3 166.91 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.579 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.4 OUTLIER -119.52 121.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.003 ' CG2' HD11 ' A' ' 430' ' ' LEU . 9.9 t -131.46 147.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.748 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.12 124.27 50.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.571 HG23 ' CG1' ' A' ' 414' ' ' VAL . 11.7 t -74.32 117.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.768 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -127.4 151.82 75.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.041 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.95 -173.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -83.17 -14.26 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.401 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -179.24 149.77 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . 0.401 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.1 Cg_endo -75.04 -21.65 15.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.83 -20.47 61.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.96 -11.22 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.75 149.15 24.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -96.32 168.21 10.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.72 109.81 16.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.2 -2.5 56.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.9 OUTLIER -129.89 143.04 50.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -130.09 171.22 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.45 113.68 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.53 165.6 24.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.761 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.0 p -125.5 143.62 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -77.87 160.44 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.487 ' HB3' HG23 ' A' ' 435' ' ' VAL . 1.9 tt0 -58.22 -43.64 87.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.362 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -38.77 83.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.761 ' HB2' HG22 ' A' ' 455' ' ' VAL . 81.0 m-20 -63.31 -33.8 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.616 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 -53.5 -48.47 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -53.94 -26.14 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 6.6 mm-40 -108.53 19.84 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 407' ' ' PRO . 5.4 t60 -46.24 -21.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 5.7 ttpt -57.82 -30.37 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.0 42.5 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.413 HD22 ' CE1' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.32 -18.5 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -115.38 5.86 14.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 22.3 m -109.94 -20.53 12.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 128.79 28.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -149.6 179.82 26.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.79 153.62 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -161.74 151.42 13.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 120.3 6.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.59 81.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.761 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.1 m-20 -61.34 -24.88 66.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.861 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -89.06 2.52 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.861 HG23 ' CD1' ' A' ' 477' ' ' PHE . 2.4 p -132.38 178.18 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -133.15 147.43 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.53 138.19 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 73.9 t -109.04 122.72 39.0 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.07 109.23 0.2 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -157.38 -173.22 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -165.42 -179.01 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 276' ' ' THR . 8.0 t -161.38 107.41 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.75 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.19 158.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -170.16 142.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.45 168.8 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.9 p -174.67 144.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -151.29 162.17 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -177.97 162.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -154.44 143.66 15.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.86 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -176.21 97.19 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.465 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.3 Cg_endo -74.99 -173.58 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.433 1.754 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 177.4 173.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.33 -179.08 48.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 291' ' ' ALA . . . 177.15 172.72 42.02 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 290' ' ' GLY . . . 178.94 132.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 p -113.8 129.78 24.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 157.86 146.71 4.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -177.05 129.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 8.7 p -105.43 -179.09 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.4 Cg_endo -74.95 162.55 37.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.772 HG13 ' HB2' ' A' ' 476' ' ' ASN . 12.4 p -103.4 106.71 52.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.573 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.8 pt? -124.44 -42.27 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -116.28 155.88 27.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.61 160.13 48.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.6 18.07 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.97 137.29 21.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 91.68 -19.8 45.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.33 153.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.483 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.7 mtt -112.71 -73.98 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 13.5 p90 -160.22 179.92 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.595 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -98.04 144.23 27.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.888 HG22 ' O ' ' A' ' 436' ' ' VAL . 5.8 m -125.02 167.11 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 31.2 tp60 -131.07 122.64 27.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.894 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -70.41 151.65 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -120.73 -4.4 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.526 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.3 m-70 -149.46 169.36 21.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.554 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 9.9 p-10 -103.73 102.56 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -108.35 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 26.9 m -74.96 112.7 11.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.09 117.15 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -119.32 93.06 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.436 ' HB3' ' OE1' ' A' ' 427' ' ' GLU . 9.5 t70 -139.58 -176.9 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.2 t -74.41 -9.77 58.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -167.89 52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.707 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -98.19 162.3 13.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.625 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -116.74 114.87 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.93 135.45 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.894 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.03 144.09 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -121.91 135.47 54.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.81 108.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 90.59 43.49 4.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.536 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 26.9 t0 -109.3 170.23 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.595 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -118.49 127.55 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.888 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.0 t -136.68 139.0 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.767 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -100.91 133.74 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.483 HG12 ' SD ' ' A' ' 411' ' ' MET . 13.4 t -84.82 112.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.738 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -120.23 153.74 55.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.88 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.564 1.823 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.47 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -83.63 -9.4 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.68 148.37 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.31 19.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.92 -27.81 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -9.27 58.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.3 tt0 -80.35 149.3 30.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -100.34 173.94 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.95 93.4 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.17 -8.05 28.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.59 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -120.27 132.75 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -116.72 168.43 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.0 OUTLIER -87.13 113.63 23.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -138.55 171.84 23.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.884 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.0 p -138.15 145.77 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.737 . . . . 0.0 109.261 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.512 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 7.7 mtmt -71.54 163.76 27.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -62.57 -46.3 88.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -35.79 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.884 ' HB2' HG22 ' A' ' 455' ' ' VAL . 89.2 m-20 -67.93 -33.2 74.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.767 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.63 -47.52 63.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -54.28 -26.23 27.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.3 mm-40 -91.28 17.15 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.73 -21.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -57.87 -30.66 66.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -146.07 56.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.08 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.89 -19.43 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -107.02 9.04 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.2 5.09 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 108.26 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 151.74 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.625 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -175.69 177.75 47.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 452' ' ' LEU . 0.6 OUTLIER -124.42 163.81 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 23.0 p90 -161.0 155.01 18.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 116.9 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.38 -31.0 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -67.47 -23.69 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.957 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -92.54 4.3 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.957 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -133.17 177.72 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -132.72 151.76 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -87.42 133.23 33.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.97 116.08 65.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 7.7 t -175.03 96.24 0.28 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.87 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -177.51 167.58 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -172.66 165.8 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.7 m -156.63 107.81 1.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.35 2.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 279' ' ' ILE . 3.6 tt0 176.27 144.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 278' ' ' GLU . 3.6 pt -155.2 -179.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.52 161.72 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.2 p -170.48 133.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -144.96 155.9 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -154.91 -177.72 6.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.85 106.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.08 7.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -137.81 147.24 56.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -165.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -158.94 169.81 23.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -163.32 176.42 39.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -178.6 179.18 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -166.47 173.5 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 46.9 m -151.24 110.61 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.36 20.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -128.42 -159.48 10.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -171.5 75.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 296' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 297' ' ' LEU . 3.3 m -152.05 148.43 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 297' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 296' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 308' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 309' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.94 161.54 38.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 310' ' ' VAL . . . . . 0.727 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.8 p -117.06 104.09 51.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.886 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' LEU . . . . . 0.415 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.1 pt? -120.07 -40.66 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.438 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 1.2 m-20 -106.32 153.71 21.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.42 161.05 43.8 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 138.7 23.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.0 131.8 14.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 95.58 -19.71 53.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 31.9 t80 -36.84 155.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -115.96 -68.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 14.0 p90 -163.85 176.46 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 138.57 33.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.3 m -119.31 167.25 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.0 tp60 -135.04 124.2 24.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.661 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -68.78 152.87 44.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -122.63 -2.5 8.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.9 m-70 -144.72 169.91 17.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 19.9 p-10 -110.52 104.09 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.882 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.33 123.93 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -87.65 114.58 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.882 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.63 117.13 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -120.2 93.26 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 37.2 t0 -142.99 178.61 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.4 t -74.59 -13.49 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 7.1 p-10 -159.56 49.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 424' ' ' ASP . 3.5 mm-40 -96.69 170.08 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.558 HD13 ' HA3' ' A' ' 471' ' ' GLY . 5.0 tp -127.3 113.29 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.745 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.2 tt0 -79.77 137.59 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -128.17 143.45 51.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.504 ' CD ' ' OD1' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -126.61 126.36 43.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.82 102.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.98 47.8 2.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.504 ' OD1' ' CD ' ' A' ' 431' ' ' LYS . 3.2 t70 -108.95 169.69 8.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.22 121.07 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 430' ' ' LEU . 32.9 t -136.72 139.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.865 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -100.62 133.54 44.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.607 HG23 ' CG1' ' A' ' 414' ' ' VAL . 17.9 t -82.73 119.96 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.759 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.45 152.77 78.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.75 4.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.0 -176.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -17.32 42.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.418 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -174.02 148.0 1.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.07 -20.9 16.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.27 -18.41 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.17 -15.71 27.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.34 141.6 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -89.6 171.41 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.73 113.16 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.92 -7.91 63.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.964 ' C ' HD23 ' A' ' 452' ' ' LEU . 2.7 m95 -118.48 149.47 41.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.964 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -135.12 167.55 20.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.33 112.71 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.759 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.97 173.08 21.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.865 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.7 p -137.43 144.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.441 ' CG ' HG22 ' A' ' 436' ' ' VAL . 5.2 mtmp? -75.11 160.88 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 460' ' ' TRP . 15.2 tt0 -58.52 -41.64 85.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.236 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -47.7 83.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 37.3 m-20 -58.86 -32.91 69.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.625 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.4 t90 -52.58 -41.78 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ASN . . . . . 0.485 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 1.2 m120 -53.47 -25.82 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -92.93 18.78 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 7.6 t60 -45.35 -21.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.9 OUTLIER -58.35 -30.12 66.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -158.79 51.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.433 ' HA ' ' SG ' ' A' ' 469' ' ' CYS . 1.6 pt? -70.51 -29.88 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 4.8 tt0 -54.82 -17.9 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -102.4 6.62 40.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 1.6 p -129.68 8.25 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.7 OUTLIER -56.06 154.32 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.558 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -155.99 179.47 31.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.406 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.4 t -126.25 154.48 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -161.24 151.99 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 119.45 5.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -69.37 -32.93 72.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.727 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.4 OUTLIER -66.21 -24.86 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.888 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -89.9 2.66 54.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.888 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.6 p -129.84 -179.69 5.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -82.52 136.54 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.9 135.54 19.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -171.81 96.0 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 89.5 p -161.85 115.3 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -152.45 173.4 15.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -164.97 162.78 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 22.4 p -137.22 109.73 8.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.22 20.9 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -148.93 175.81 10.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 12.7 tt -167.03 164.51 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -158.33 166.75 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 54.5 t -151.69 144.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -149.05 154.29 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -168.13 166.27 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.588 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -154.94 121.23 2.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.67 15.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.82 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.36 114.84 6.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -156.2 -172.18 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -165.55 -179.85 39.5 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.74 -167.18 21.82 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -137.93 150.83 47.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 63.6 p -129.58 89.1 47.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -118.6 -141.61 6.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -160.91 162.75 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 70.2 p -129.68 165.95 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.7 70.9 8.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.22 36.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.772 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -119.06 167.25 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.53 120.91 36.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.2 42.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 107.97 7.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.88 137.68 36.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.76 48.24 2.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -71.3 150.05 45.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.15 167.58 21.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -141.72 176.48 21.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -75.04 152.47 40.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.2 Cg_endo -74.93 159.78 41.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.1 p -110.73 105.4 57.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.65 10.08 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.55 26.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 163.31 35.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.72 147.07 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -125.89 -70.69 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 317' ' ' THR . 2.4 t -166.76 112.62 0.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.01 32.25 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 54.2 p -157.54 175.38 14.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.36 175.88 5.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.7 124.95 12.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 322' ' ' VAL . 0.8 OUTLIER -135.09 117.2 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.6 148.31 42.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -146.84 177.69 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.91 176.19 12.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -173.51 149.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.49 152.08 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.67 174.24 10.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 77.8 p -130.68 -176.37 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.76 176.32 10.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -177.44 175.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.46 175.95 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 174.38 165.95 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 335' ' ' PHE . 9.2 t -172.47 145.21 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 334' ' ' THR . 2.1 m-85 -177.56 -173.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 96.0 t 56.45 99.69 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.45 16.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.545 1.813 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.83 97.99 5.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.345 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 340' ' ' SER . 1.3 mp -120.62 158.93 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 339' ' ' ILE . 0.4 OUTLIER 175.97 124.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.67 160.68 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 19.5 m -146.31 140.55 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 25.6 p -140.72 93.74 8.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.42 31.39 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 38.9 t -171.48 153.95 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.68 114.12 0.24 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -167.96 174.35 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.28 173.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -176.63 176.09 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 21.6 t -178.6 169.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.95 173.34 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 62.8 t -137.45 -64.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 65.42 165.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -152.33 61.88 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.1 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 45.03 -169.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 357' ' ' THR . 3.4 m 39.97 63.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.419 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -178.4 92.75 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.74 41.97 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -111.85 160.15 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -156.41 -61.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -46.97 162.76 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -152.15 172.72 15.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -77.39 166.7 22.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 143.49 38.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -172.95 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -150.69 -79.61 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 61.12 141.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 0.795 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 66.4 p -134.3 -174.4 3.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -144.97 -176.56 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -165.77 -179.88 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 52.3 m -167.23 169.82 12.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -154.65 179.7 8.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 375' ' ' ALA . . . -173.67 176.5 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 374' ' ' ALA . . . -179.47 170.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 21.7 p 174.78 165.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.961 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.15 177.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.78 -178.5 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 3.1 tt -170.92 90.96 0.46 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.41 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -160.27 168.19 25.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 2.3 p -160.68 132.42 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 4.6 m -105.11 156.48 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -162.04 123.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.53 173.06 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 12.9 t -163.41 122.51 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -117.7 125.78 27.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 389' ' ' ALA . 18.3 Cg_endo -75.04 -165.81 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 388' ' ' PRO . . . 177.18 134.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 31.4 p -142.63 167.31 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 4.3 p -170.71 136.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.25 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -158.05 154.87 28.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 117.66 75.15 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.5 p -112.93 -52.15 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.2 t -45.06 134.79 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -178.18 83.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 148.24 -118.14 0.95 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 89.21 -70.41 2.47 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 1.2 m 56.3 87.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.957 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -174.09 -164.96 29.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.151 . . . . 0.0 110.961 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -172.03 131.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -92.11 -175.07 42.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.571 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -70.82 -176.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 0.0 110.286 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.3 pt? -119.43 -41.29 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.403 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 52.6 m-20 -112.29 154.87 25.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 160.46 56.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.635 ' HB3' HD13 ' A' ' 466' ' ' LEU . 18.5 Cg_endo -74.93 134.65 18.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.99 143.47 29.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.43 -24.52 11.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.0 t80 -36.54 147.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.428 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.2 mtt -110.05 -67.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.491 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 21.7 p90 -160.65 174.81 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.579 ' HG3' HD22 ' A' ' 437' ' ' LEU . 0.2 OUTLIER -97.03 143.91 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.55 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.1 m -125.17 168.18 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 1.4 tp60 -134.58 125.74 27.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.739 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -68.35 156.37 37.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -124.58 -1.62 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.467 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -148.61 169.7 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 2.2 p-10 -107.62 102.46 11.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 1.029 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.57 108.59 16.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -75.38 113.42 12.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 1.029 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.16 115.76 29.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -121.26 94.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 11.8 t0 -140.74 -176.4 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.5 t -78.17 -1.92 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.19 42.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.772 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 0.4 OUTLIER -92.36 165.05 13.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 454' ' ' GLY . 8.5 tp -124.39 113.54 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.503 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.5 tt0 -77.54 133.57 38.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.085 HD11 HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -125.67 144.78 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.77 131.36 51.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.26 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.19 48.38 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.53 ' OD2' HD13 ' A' ' 430' ' ' LEU . 22.7 t0 -110.35 169.07 8.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.577 HG23 ' HB3' ' A' ' 457' ' ' GLU . 0.6 OUTLIER -118.41 126.54 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.085 HG21 HD11 ' A' ' 430' ' ' LEU . 48.6 t -137.32 142.49 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.1 OUTLIER -102.77 129.41 49.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.55 HG23 ' CG1' ' A' ' 414' ' ' VAL . 4.9 t -80.5 113.32 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.754 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -123.42 152.67 64.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.95 4.73 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.0 -176.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -79.25 -22.24 45.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -168.13 148.12 4.31 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 441' ' ' PHE . 18.4 Cg_endo -75.01 -23.06 14.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -20.39 61.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.229 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.63 -9.58 53.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -86.48 148.81 25.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -94.81 174.47 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 108.3 18.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.01 -2.88 58.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.728 ' C ' HD23 ' A' ' 452' ' ' LEU . 2.9 m95 -123.38 147.85 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.728 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.1 OUTLIER -134.51 169.05 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.88 113.26 25.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.754 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.47 176.51 19.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.686 HG22 ' HB2' ' A' ' 459' ' ' ASP . 14.7 p -137.91 137.8 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.85 158.6 35.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.577 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.8 tt0 -58.06 -40.65 81.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -38.75 89.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.686 ' HB2' HG22 ' A' ' 455' ' ' VAL . 61.8 m-20 -63.91 -32.45 73.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.611 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.9 t90 -51.01 -47.42 61.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.07 -26.89 51.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.441 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -94.9 17.18 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -45.21 -23.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -56.91 -30.23 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.33 42.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 467' ' ' GLU . 0.1 OUTLIER -58.2 -37.57 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.702 ' N ' HD23 ' A' ' 466' ' ' LEU . 6.7 tt0 -56.53 -17.49 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -109.42 7.41 24.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.09 1.08 9.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.452 HH21 HD11 ' A' ' 466' ' ' LEU . 1.5 mtt180 -58.91 150.36 24.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.32 179.06 36.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 153.16 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -158.91 151.05 17.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.03 120.1 5.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.423 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -68.71 -33.98 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.641 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.31 -28.64 69.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.801 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -89.19 3.76 50.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.801 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -130.52 174.83 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.438 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -132.62 144.98 50.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -80.68 137.71 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 414' ' ' VAL . 38.3 t -110.32 116.85 52.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 171.63 108.77 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' A' ' 273' ' ' PRO . 0.4 OUTLIER -163.25 136.97 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 110.027 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 272' ' ' SER . 18.4 Cg_endo -74.97 -172.07 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -144.95 -177.97 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -153.73 -177.36 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -148.49 145.79 21.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -74.99 -171.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.89 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -144.86 122.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -104.4 178.23 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.65 137.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -142.82 170.34 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.49 -177.23 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.64 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -165.66 122.16 1.02 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -166.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -153.45 125.16 3.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -167.55 177.03 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -175.68 -179.2 46.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.23 -168.66 23.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -165.75 174.61 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.353 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 292' ' ' THR . 1.4 t -162.63 111.33 1.08 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.86 8.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 295' ' ' ALA . . . -101.82 -179.97 27.78 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 294' ' ' GLY . . . 179.91 174.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 15.9 m 62.57 158.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.3 69.2 0.41 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -68.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -165.29 139.88 4.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 26.5 t -120.73 129.22 25.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.86 42.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.99 69.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -98.71 149.28 22.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . 0.408 ' O ' ' CG ' ' A' ' 424' ' ' ASP . 1.7 tp -170.54 89.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.53 150.56 22.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.45 151.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 179.09 155.18 14.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.99 138.95 23.72 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.95 157.36 43.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.615 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.6 p -109.26 104.96 56.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -74.97 135.0 18.55 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.3 Cg_endo -75.06 160.77 39.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.19 20.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -45.02 128.96 7.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -101.26 169.47 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 8.1 m 61.21 114.27 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 85.08 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.16 -175.19 2.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -172.16 156.45 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -161.37 114.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 35.3 m -55.35 162.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -152.39 68.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -170.12 158.97 7.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -142.71 130.04 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -167.85 89.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.7 tp -153.02 140.05 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.8 tt -164.36 120.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.1 150.14 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.5 tp -132.45 129.26 39.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.13 174.07 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -145.7 168.9 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.75 161.89 29.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 50.3 p -138.33 177.73 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 335' ' ' PHE . 10.1 p90 -154.4 149.28 26.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 337' ' ' PRO . 40.4 t -127.96 125.24 23.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 336' ' ' VAL . 18.3 Cg_endo -75.0 170.61 20.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.522 1.801 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.2 -167.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.34 -48.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.88 106.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 9.1 m -126.42 -177.63 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 34.3 p 40.61 80.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 87.8 m -104.23 106.66 54.62 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.463 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.62 14.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.53 -166.32 1.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -110.31 133.81 20.97 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 149.17 36.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -152.92 -173.65 4.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.53 167.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . 65.11 91.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.17 167.06 20.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -117.33 98.39 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 72.5 t 63.77 147.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -161.23 72.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 129.12 166.07 11.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 162.97 163.99 16.93 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 38.3 p -138.89 -61.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.73 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -47.36 104.89 0.44 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 175.74 10.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.58 163.77 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -98.41 -51.74 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -142.38 -146.62 4.67 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -172.39 112.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.38 137.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.267 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.482 ' CB ' ' HD3' ' A' ' 366' ' ' PRO . 1.1 mt-10 170.58 -56.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.07 -54.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 51.76 59.12 8.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 60.94 107.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 3.2 t -147.79 53.37 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.424 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -140.68 160.54 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -161.72 -64.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 6.6 t 65.67 138.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -156.43 170.49 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -169.61 168.26 9.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -152.31 167.76 27.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 43.1 p -142.24 162.51 35.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.041 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 21.2 p -178.85 164.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.994 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.86 159.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 1.6 pp -171.44 95.22 0.42 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -133.27 139.86 47.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.45 179.55 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 9.8 p -158.99 151.68 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.75 -32.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 41.06 74.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.3 t -76.25 148.58 37.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -131.67 162.67 54.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.04 34.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -124.6 147.3 48.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 11.7 t -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 8.3 p -117.74 142.65 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -138.16 160.73 38.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 98.59 120.1 4.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.0 t -109.25 143.94 38.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 64.88 159.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.03 131.02 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 157.84 101.45 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -140.34 155.41 24.61 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 16.2 m -97.37 -60.23 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.005 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 121.69 92.54 1.19 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -141.16 102.18 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -150.76 175.93 29.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.542 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -74.1 -178.69 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.15 -39.42 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -109.66 153.68 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.57 160.91 49.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.462 ' HB3' HD13 ' A' ' 466' ' ' LEU . 18.4 Cg_endo -74.95 135.13 18.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.5 Cg_endo -74.98 143.82 29.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.55 -24.43 12.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.0 t80 -36.5 148.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 6.6 mtt -110.5 -65.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.2 p90 -163.2 178.39 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.554 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -99.79 145.36 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.654 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.5 m -125.14 167.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.8 tp60 -134.1 118.79 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.661 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -62.83 152.44 36.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.42 -2.64 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.521 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -149.09 169.78 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 419' ' ' ASP . 0.1 OUTLIER -107.65 102.59 11.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.865 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.68 111.72 22.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.05 113.63 14.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.4 117.38 32.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 47.1 p -119.57 94.4 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 304' ' ' LEU . 24.4 t0 -141.66 -178.81 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.8 t -84.8 9.01 15.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.81 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -92.34 170.99 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.609 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -127.23 113.83 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.635 ' C ' HD22 ' A' ' 430' ' ' LEU . 1.7 tt0 -79.68 138.55 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.98 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -129.84 145.49 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.46 135.16 52.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.25 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.39 48.23 1.72 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.551 ' OD2' HD13 ' A' ' 430' ' ' LEU . 28.7 t70 -110.15 168.84 9.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 457' ' ' GLU . 3.4 m -118.45 124.48 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.98 HG21 HD11 ' A' ' 430' ' ' LEU . 10.9 t -135.85 144.26 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.0 OUTLIER -104.03 131.92 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.654 HG23 ' CG1' ' A' ' 414' ' ' VAL . 38.0 t -83.67 113.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.05 152.67 60.29 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.52 4.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.559 1.82 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -59.08 -174.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -81.22 -28.21 34.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.38 148.57 9.29 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.99 15.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -16.7 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.92 -20.33 22.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -76.99 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 449' ' ' GLU . 5.6 t0 -99.35 170.09 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 1.3 mt-10 -79.79 108.83 13.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.59 1.84 58.85 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.846 ' C ' HD23 ' A' ' 452' ' ' LEU . 4.2 m95 -126.73 153.48 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.846 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -141.85 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -91.65 113.45 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.64 174.69 20.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.873 HG22 ' HB2' ' A' ' 459' ' ' ASP . 8.6 p -136.93 141.99 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.68 159.97 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.594 ' HB3' HG23 ' A' ' 435' ' ' VAL . 8.2 tt0 -57.98 -41.36 82.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -39.59 88.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.873 ' HB2' HG22 ' A' ' 455' ' ' VAL . 70.3 m-20 -63.65 -33.35 75.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.542 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.2 t90 -51.3 -47.54 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -57.83 -27.08 62.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.466 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -91.99 17.54 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -45.27 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.3 OUTLIER -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 47.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.508 HD21 HH21 ' A' ' 470' ' ' ARG . 0.0 OUTLIER -64.06 -35.89 82.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.493 ' N ' HD23 ' A' ' 466' ' ' LEU . 8.3 tt0 -55.22 -18.12 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -108.93 8.37 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 1.76 9.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.508 HH21 HD21 ' A' ' 466' ' ' LEU . 2.7 mtt180 -61.46 151.51 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.609 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -162.03 -179.5 36.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.81 155.07 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -160.24 152.06 16.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 120.09 5.92 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.546 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -68.17 -36.44 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.615 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.1 m-20 -61.56 -31.23 71.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.794 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -85.47 1.68 47.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.794 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.6 OUTLIER -128.79 171.17 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -130.62 148.64 52.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.448 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.8 mtt180 -79.51 139.26 37.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.505 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 87.4 t -110.92 116.04 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 172.45 96.03 0.1 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 19.0 t -173.23 136.1 0.71 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.784 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.3 41.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -115.26 -179.32 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -160.76 155.16 23.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.2 74.19 1.02 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.04 42.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.41 145.84 49.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 280' ' ' ARG . 3.7 mm -117.34 160.67 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.409 ' N ' HG22 ' A' ' 279' ' ' ILE . 9.7 tpp180 -134.02 141.49 47.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.98 126.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.25 157.09 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.55 175.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.613 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -156.52 148.49 17.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -173.08 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -168.25 112.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.34 14.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.78 124.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.99 -176.91 48.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 117.6 150.38 9.09 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.23 169.27 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 292' ' ' THR . 14.0 t -170.76 64.58 0.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.0 116.77 4.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 124.43 115.69 2.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -145.35 47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.6 p -116.03 103.14 10.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 110.407 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.87 98.7 6.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.27 21.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.48 63.24 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 47.6 m -120.7 94.86 48.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.69 41.34 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 78.6 p -156.3 60.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.65 132.23 44.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 67.98 81.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -102.12 150.7 22.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 145.54 31.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -133.7 -171.98 12.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.2 Cg_endo -74.98 146.95 33.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -75.04 160.88 39.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.654 HG13 ' HB2' ' A' ' 476' ' ' ASN . 8.2 p -107.46 104.53 52.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.33 42.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.24 42.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.783 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.2 Cg_endo -74.98 141.63 26.93 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.4 Cg_endo -74.99 72.4 4.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.57 79.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -112.31 123.07 49.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 5.0 m -47.0 110.5 1.3 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 61.07 5.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 74.3 m 63.99 158.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.96 143.14 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 322' ' ' VAL . 4.7 pm0 -74.59 146.97 42.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 321' ' ' GLU . 17.9 m 43.28 -161.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -166.95 -63.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.75 166.75 11.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -143.04 89.23 2.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 40.59 87.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 4.2 tp -67.56 141.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 329' ' ' SER . 2.6 pp -159.04 167.75 28.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . 0.405 ' N ' HD12 ' A' ' 328' ' ' LEU . 4.6 t -163.64 144.15 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 330' ' ' LEU . 2.2 pp -163.86 154.7 15.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -167.06 168.59 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.23 145.63 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.28 166.6 31.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 5.7 m 62.95 124.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.432 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.819 ' CD1' HG12 ' A' ' 336' ' ' VAL . 0.1 OUTLIER -177.87 -179.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.819 HG12 ' CD1' ' A' ' 335' ' ' PHE . 6.0 p 32.21 82.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.76 169.24 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 3.7 pt -116.35 170.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.34 162.86 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.52 170.69 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 12.2 t -138.24 153.75 49.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.36 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 1.6 m -136.59 88.54 19.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.9 30.66 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.485 1.781 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.55 127.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -169.56 140.94 1.88 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 167.26 27.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -177.07 112.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -148.06 155.61 41.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -128.04 101.74 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 81.1 p 179.07 130.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.48 -59.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 4.6 p -43.43 -42.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -66.83 -59.17 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 135.48 141.16 4.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -144.3 -161.29 8.89 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 13.6 t -135.71 149.13 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 65.52 152.07 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -168.36 83.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . 56.91 175.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -170.61 85.8 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -164.88 140.6 5.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.773 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -179.18 131.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -166.92 109.07 0.65 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.66 8.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -160.08 -87.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.59 133.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 9.8 t -165.57 139.61 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -176.23 169.71 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -176.34 169.77 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.3 125.9 22.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -159.35 170.14 22.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . 61.0 174.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . 65.29 70.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 28.5 t -174.99 118.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 18.6 p -159.5 -63.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 10.6 m 66.61 139.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.58 91.07 0.4 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.29 39.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -108.68 143.19 38.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.89 171.55 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 83.8 t 63.04 117.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.77 -31.14 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.84 110.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 9.7 t -130.99 151.86 50.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -127.32 145.59 54.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -174.37 127.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 18.7 m -156.44 143.4 18.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 391' ' ' VAL . 2.6 p -166.6 53.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -131.22 125.57 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -173.56 -156.45 13.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.7 t -143.93 140.7 29.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.441 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 10.7 p -48.03 143.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -151.81 111.01 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 146.0 77.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.127 . . . . 0.0 110.989 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -119.29 -78.01 0.56 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 4.3 m 62.45 131.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.967 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 401' ' ' ALA . . . 86.03 169.29 45.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 400' ' ' GLY . . . 75.32 -74.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -69.79 173.78 37.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.49 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -74.6 -173.33 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -41.67 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.77 155.55 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.22 160.45 54.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.413 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -75.01 134.38 17.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.94 142.88 28.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.23 -22.61 18.51 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.2 t80 -36.48 152.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.774 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -113.59 -67.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 18.9 p90 -160.87 -179.78 7.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.632 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -100.04 146.12 27.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 436' ' ' VAL . 6.3 m -125.87 166.21 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 7.5 tp60 -134.24 118.72 17.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.812 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.72 151.05 43.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -121.16 -3.35 9.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.2 m-70 -147.75 169.7 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.635 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -107.64 103.36 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.951 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -116.2 109.71 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.2 m -76.78 114.06 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.426 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.951 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.76 115.43 28.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' A' ' 423' ' ' THR . 0.5 OUTLIER -120.6 93.82 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 11.3 t0 -140.6 -175.51 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.1 t -79.19 -4.88 52.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -166.76 42.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.723 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -91.85 164.94 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 10.5 tp -124.78 112.86 17.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.746 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.3 tt0 -77.56 137.57 38.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.908 HD11 HG21 ' A' ' 436' ' ' VAL . 4.6 mm? -130.65 143.75 50.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -125.56 129.69 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.87 104.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.73 47.02 2.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.539 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 35.5 t0 -110.25 169.86 8.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 457' ' ' GLU . 2.3 m -119.47 125.48 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.908 HG21 HD11 ' A' ' 430' ' ' LEU . 12.7 t -136.83 145.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.722 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -108.7 129.42 55.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.462 HG23 ' CG1' ' A' ' 414' ' ' VAL . 22.6 t -79.27 119.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.754 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.17 153.27 76.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.09 -177.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.77 -31.2 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.69 146.37 16.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.38 16.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.76 -25.51 63.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -14.97 45.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.0 tt0 -77.97 146.2 35.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -98.97 169.26 9.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.83 106.73 14.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.4 58.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -121.0 137.42 54.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.937 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.96 170.58 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.7 OUTLIER -87.9 113.03 23.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.754 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -129.55 175.39 19.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.722 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.5 p -136.83 139.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 0.724 . . . . 0.0 109.294 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -76.91 159.85 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.641 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -57.85 -37.31 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -42.83 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.448 ' HB2' HG22 ' A' ' 455' ' ' VAL . 1.2 m-20 -62.69 -32.26 73.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.267 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -51.06 -47.49 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 107.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -53.79 -26.35 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -89.03 16.1 7.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 13.5 t60 -45.37 -22.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 462' ' ' GLN . 30.0 pttt -58.7 -39.13 79.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -148.46 51.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -30.31 67.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.483 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 23.6 mt-10 -55.54 -17.62 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.72 7.8 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.69 10.74 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.483 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.4 mtm180 -60.63 154.28 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.427 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -161.6 -179.03 36.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -129.37 160.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.452 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.3 p90 -162.1 156.34 18.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.937 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.8 tt0 -68.07 -33.11 73.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.654 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -64.61 -32.24 73.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.939 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -82.38 1.81 35.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.939 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -131.12 175.55 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -129.56 154.48 47.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.522 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 11.4 mtt180 -89.67 140.74 29.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.632 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 45.3 t -112.39 116.03 49.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 111.034 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -179.02 116.72 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.118 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.75 116.29 0.52 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.968 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.44 2.88 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -128.26 -174.69 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -149.96 -178.06 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.5 t -155.07 133.16 6.81 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.052 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -144.66 150.18 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.8 mp -126.79 135.54 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -123.36 167.87 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 1.9 p -161.2 127.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -118.07 169.6 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.17 173.81 8.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -161.97 107.11 1.15 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.92 10.6 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -120.84 155.96 56.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -130.16 172.86 11.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -118.89 -160.41 11.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -153.68 -147.47 4.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -164.23 -176.08 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 8.8 t -143.99 144.94 28.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.4 Cg_endo -75.04 -169.04 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.9 -160.31 10.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -166.55 155.16 10.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.0 m -127.98 133.11 49.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 115.67 44.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.06 3.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 168.28 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.83 138.85 21.68 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.093 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.55 35.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 40.5 t -131.64 84.14 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.021 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.62 141.14 57.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 66.9 100.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.36 140.26 37.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.05 124.04 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -118.26 159.87 14.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.86 40.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.97 39.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 476' ' ' ASN . 11.3 p -115.04 103.81 54.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 153.71 41.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.26 28.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.45 1.763 . . . . 0.0 110.972 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 120.34 6.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 135.52 19.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.1 160.34 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -137.28 153.56 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 3.0 m 57.65 90.79 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.05 39.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 320' ' ' LYS . 83.3 p -169.52 171.72 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 319' ' ' SER . 0.0 OUTLIER 29.73 66.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -105.24 8.98 34.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 55.7 t -136.05 110.64 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.28 123.81 23.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -124.5 77.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.89 130.49 55.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.53 131.33 31.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 2.5 tt -97.71 162.98 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.02 155.8 49.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 3.6 t -170.19 145.27 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.44 175.13 8.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -158.27 164.67 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -165.69 169.65 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -147.49 170.04 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 8.8 t -169.16 143.86 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.12 156.21 37.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 336' ' ' VAL . 14.5 p -122.88 114.44 29.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.87 3.76 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.0 173.49 10.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.3 tt -169.03 145.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.7 t -141.63 169.84 16.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 11.8 p -174.09 137.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 69.3 p -101.69 178.21 4.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 5.2 t -160.88 146.24 10.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.78 8.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 35.6 p -174.54 151.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.057 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 61.93 100.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 178.37 7.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -133.31 177.89 7.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 68.58 163.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -160.0 -64.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.05 85.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -175.61 115.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 51.9 t -146.08 -65.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -85.61 149.36 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -169.17 -173.23 36.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . 0.639 ' O ' HG22 ' A' ' 357' ' ' THR . . . 112.83 -86.15 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 356' ' ' GLY . 15.3 t 47.12 -162.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -130.33 99.43 19.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.86 8.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -174.6 60.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -177.42 170.83 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 159.13 157.98 8.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -148.78 -65.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.46 162.6 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.07 156.53 64.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -64.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 150.58 -165.99 30.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -139.12 171.2 14.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 25.1 m -125.56 136.52 53.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -99.3 -179.66 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -135.73 -174.78 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 5.4 t -137.86 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.5 179.52 7.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -133.01 177.94 7.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -163.07 -176.72 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 1.5 t -153.17 174.13 14.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -179.49 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.052 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.46 177.27 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.97 106.7 10.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' ' 381' ' ' ALA . 18.4 Cg_endo -74.99 -61.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 380' ' ' PRO . . . 67.92 146.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 93.8 t -147.55 133.31 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.59 106.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 24.2 t -103.0 142.29 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -128.69 164.73 22.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 75.1 p -139.92 -174.63 3.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -153.68 94.67 2.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -175.18 2.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 390' ' ' THR . . . 65.72 143.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 389' ' ' ALA . 1.4 t -179.66 50.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.06 168.71 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 23.5 p30 177.39 164.22 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -132.35 143.95 15.66 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 14.0 t -170.88 159.32 6.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.7 t 62.36 115.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -178.94 114.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -137.52 -148.27 5.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 157.81 108.71 0.27 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 41.3 t -109.96 146.01 35.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -111.73 -112.39 3.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -93.5 -64.43 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 72.93 -168.35 53.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -72.3 -178.38 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.21 -38.72 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -115.97 154.75 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 160.38 59.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 134.39 17.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.565 1.824 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.03 144.5 30.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.49 -22.6 12.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.8 t80 -36.82 151.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -112.45 -69.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 21.6 p90 -160.56 175.87 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.556 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -95.72 145.8 25.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.663 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.3 m -128.62 163.75 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 2.2 tp60 -132.23 120.12 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.727 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -64.41 156.27 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -125.56 0.02 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 84.1 m-70 -146.2 169.79 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.611 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -110.17 101.96 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.856 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -114.74 112.22 22.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.36 112.78 16.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.856 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -107.46 116.91 32.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 43.3 p -119.39 93.94 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -141.99 -178.01 5.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.6 t -79.83 -3.49 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.436 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.4 OUTLIER -170.53 46.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.86 171.17 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 7.8 tp -125.42 117.4 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.684 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.1 tt0 -84.09 138.34 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.057 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -130.49 145.66 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -127.83 129.14 46.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.46 98.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.66 46.56 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.543 ' OD2' HD13 ' A' ' 430' ' ' LEU . 33.3 t70 -110.77 163.67 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.791 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.1 m -113.52 126.53 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.057 HG21 HD11 ' A' ' 430' ' ' LEU . 54.3 t -137.33 145.17 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.679 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -107.42 126.35 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.663 HG23 ' CG1' ' A' ' 414' ' ' VAL . 42.2 t -76.72 118.67 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.777 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.63 152.59 74.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.67 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.58 -172.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.5 -26.62 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -166.95 147.66 5.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.246 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.06 19.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.04 -13.41 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -97.18 -22.27 16.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -75.02 145.13 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -95.06 168.63 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 111.61 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.28 -11.87 63.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 2.9 m95 -116.06 149.35 39.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -139.14 172.14 13.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.74 113.13 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.777 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.0 175.61 19.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.548 HG13 ' HG ' ' A' ' 437' ' ' LEU . 9.1 p -137.94 136.48 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -73.05 160.14 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.586 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.7 tt0 -58.17 -37.88 75.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -45.07 88.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 8.2 m-20 -60.18 -31.69 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.679 ' CE3' HD11 ' A' ' 437' ' ' LEU . 4.3 t90 -50.93 -47.96 60.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.042 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -55.74 -25.81 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' A' ' 464' ' ' LYS . 63.2 mm-40 -92.11 17.18 9.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 6.8 t60 -45.73 -22.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 462' ' ' GLN . 6.7 tttm -58.21 -34.69 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.76 53.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.674 HD21 HH21 ' A' ' 470' ' ' ARG . 0.1 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.46 ' N ' HD23 ' A' ' 466' ' ' LEU . 7.1 tt0 -52.81 -34.52 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -96.54 9.53 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.11 5.07 8.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.674 HH21 HD21 ' A' ' 466' ' ' LEU . 4.9 mtt180 -62.46 154.99 26.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.01 -179.69 34.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.61 155.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.432 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 15.1 p90 -163.82 153.18 12.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 119.95 5.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.6 OUTLIER -67.19 -42.19 84.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.781 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -57.17 -28.91 63.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.873 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -83.91 2.44 38.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.873 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.15 175.62 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -129.02 144.01 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.7 mtt180 -80.64 135.48 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.494 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 57.9 t -106.5 115.53 60.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 67.82 70.18 1.2 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 59.5 p -177.3 111.86 0.23 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.553 0.796 . . . . 0.0 110.008 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.67 2.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -158.07 175.16 14.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -171.06 177.16 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.62 109.63 0.96 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.17 33.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.41 154.63 23.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.6 tt -166.56 156.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -168.36 136.77 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.49 137.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -153.51 140.49 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -171.93 153.42 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.568 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.11 109.51 0.41 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.84 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -177.73 91.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.3 Cg_endo -74.97 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 178.12 161.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 157.05 168.71 20.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 158.91 147.12 4.75 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -178.08 143.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.9 m -159.79 122.92 1.95 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 295' ' ' ALA . . . -174.45 -126.23 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 294' ' ' GLY . . . 71.55 152.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 13.4 t -168.66 157.47 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -162.06 93.2 1.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -179.78 5.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.777 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.19 126.58 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 301' ' ' PRO . 0.3 OUTLIER -120.92 138.13 27.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 300' ' ' SER . 18.4 Cg_endo -74.98 157.1 43.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.001 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 20.9 t -135.44 158.75 43.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.536 ' CB ' HG21 ' A' ' 425' ' ' THR . 1.3 pt20 -77.99 131.64 37.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . 0.411 ' O ' ' OD2' ' A' ' 424' ' ' ASP . 2.8 mt -140.38 51.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 306' ' ' LYS . 0.0 OUTLIER -87.35 121.55 29.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 305' ' ' ARG . 1.7 mmmt 166.28 162.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 151.17 162.0 10.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.75 35.92 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 161.08 39.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 476' ' ' ASN . 10.5 p -106.02 105.79 54.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.15 36.26 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.73 37.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.09 21.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.9 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -164.43 75.21 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 5.4 t60 53.82 76.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 18.6 m -81.46 114.01 46.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.27 20.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.13 119.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.4 111.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -106.37 150.49 25.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.92 162.3 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.98 172.68 7.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -152.91 159.32 42.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.27 155.31 13.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.86 162.22 41.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 3.3 tt -172.88 163.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.73 161.72 42.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.93 140.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.03 146.05 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.42 171.55 14.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.52 171.58 16.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.57 164.97 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 15.2 t -166.73 157.1 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -167.85 155.78 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 6.0 p -164.26 122.03 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.67 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . 0.415 ' C ' HG23 ' A' ' 339' ' ' ILE . 0.4 OUTLIER -169.52 130.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . 0.535 ' C ' HD12 ' A' ' 339' ' ' ILE . 2.3 pp -152.08 152.59 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 15.1 t -171.33 157.95 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . 0.415 ' C ' ' CG2' ' A' ' 342' ' ' THR . 5.6 p -167.47 146.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . 0.415 ' CG2' ' C ' ' A' ' 341' ' ' VAL . 11.9 p -148.58 165.4 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 343' ' ' THR . 13.0 t -169.25 104.38 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -176.93 3.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.39 168.84 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -175.16 96.67 0.27 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.86 38.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.011 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -174.21 123.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 350' ' ' ALA . 0.0 OUTLIER -177.07 160.42 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 349' ' ' GLU . . . 70.42 120.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 73.7 p -168.96 126.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.052 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.19 178.52 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.347 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 354' ' ' ALA . 4.1 m -121.64 -47.24 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 353' ' ' VAL . . . 59.24 178.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 165.1 177.26 37.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -175.07 -169.72 37.25 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 1.9 t -139.43 126.19 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 110.358 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.1 152.42 1.0 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.25 6.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -126.86 156.28 41.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -129.02 -53.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 161.81 -123.1 1.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 66.52 175.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -102.75 -160.72 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 366' ' ' PRO . 1.8 mt-10 169.43 -55.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -74.97 151.3 39.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 160.75 -164.38 34.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.66 143.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 8.8 t -158.04 159.42 36.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -129.27 176.16 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -154.51 174.09 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 50.9 p -152.31 152.82 32.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.57 172.57 12.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -154.23 156.04 36.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -146.17 171.12 15.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 46.1 t -174.28 149.84 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.6 166.01 34.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.944 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.86 171.42 18.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.032 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 92.14 8.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.44 6.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -153.64 177.89 10.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 13.9 p -160.18 124.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.05 149.69 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.8 p -153.56 148.65 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.21 -166.52 2.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 17.2 m -138.91 119.34 13.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -128.24 145.65 56.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 160.21 40.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -84.29 153.8 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.5 m -130.66 136.52 48.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.99 141.22 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -101.6 157.47 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -74.46 169.32 54.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.4 m -146.11 147.43 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.422 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 3.2 p -103.82 135.32 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -111.97 -59.44 1.99 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.01 -123.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 111.051 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -140.72 162.92 26.62 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 4.1 m -97.28 154.2 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.753 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 117.04 -148.84 18.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 64.29 122.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 117.29 176.91 17.6 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -71.86 -178.9 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 0.7 OUTLIER -118.21 -38.57 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 14.4 m-20 -115.51 154.72 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.58 159.59 55.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.88 17.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.8 30.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.57 -22.16 18.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.2 t80 -36.47 150.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.5 mtt -112.6 -69.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.7 p90 -158.76 -179.61 8.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.83 145.35 28.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.645 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.9 m -125.05 167.31 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.6 tp60 -133.79 124.51 26.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 1.061 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -67.92 154.16 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -122.87 -3.48 8.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.0 m-70 -149.62 170.08 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.01 101.94 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.871 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -112.4 111.67 22.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -79.53 114.48 18.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.871 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -111.34 117.52 33.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.1 p -119.09 94.53 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 0.7 OUTLIER -140.7 -175.17 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.536 HG21 ' CB ' ' A' ' 303' ' ' GLN . 7.9 t -74.46 -16.6 60.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -164.38 53.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 2.3 mm-40 -94.34 171.35 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.526 HD13 ' HA3' ' A' ' 471' ' ' GLY . 4.6 tp -122.71 114.91 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.633 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -85.15 131.29 34.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.061 HD12 ' HB2' ' A' ' 416' ' ' ALA . 2.7 mm? -121.95 146.69 46.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 127.59 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.95 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 92.85 50.21 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.549 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 4.2 t70 -110.64 168.49 9.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.619 HG23 ' CB ' ' A' ' 457' ' ' GLU . 5.4 m -120.1 117.41 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 455' ' ' VAL . 2.8 t -128.77 149.13 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.741 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.07 133.2 53.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.645 HG23 ' CG1' ' A' ' 414' ' ' VAL . 37.5 t -83.39 118.64 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.48 153.86 75.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 2.0 pm0 -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -169.69 145.11 2.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.51 17.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -67.67 -28.51 67.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 3.0 mt-10 -91.05 -15.86 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.6 tt0 -74.14 133.74 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.481 ' CG ' ' HB2' ' A' ' 451' ' ' TRP . 2.9 p-10 -80.73 175.78 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 120.48 37.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.103 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.26 -15.42 57.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.2 OUTLIER -123.45 159.71 28.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -143.88 170.95 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.427 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.1 112.76 23.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.03 175.82 20.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.741 HG13 ' HG ' ' A' ' 437' ' ' LEU . 13.1 p -137.89 145.14 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.257 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.549 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 2.4 mtmp? -80.66 160.05 25.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.619 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.5 tt0 -56.88 -41.79 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -40.2 95.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.016 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.678 ' HB2' HG22 ' A' ' 455' ' ' VAL . 65.1 m-20 -63.14 -32.83 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.729 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.72 -47.68 63.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.79 -26.98 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -94.26 16.45 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.11 -23.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -58.4 -31.65 67.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -130.52 43.0 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 2.9 pp -55.05 -31.2 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -24.02 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -112.03 7.7 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 -10.4 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 108.295 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 8.0 mtm180 -60.22 149.07 34.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.526 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -162.22 -179.33 36.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.415 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -124.66 152.96 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -157.76 149.23 16.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 119.57 5.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.39 -31.83 71.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.662 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.7 OUTLIER -66.22 -30.35 70.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.849 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.48 3.75 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.849 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -130.79 176.43 8.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 146.83 51.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.3 140.62 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.55 115.75 48.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -125.49 -142.29 5.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.82 101.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.99 151.15 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -177.07 151.74 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 276' ' ' THR . 10.0 t -174.88 108.89 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.97 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -169.88 153.25 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 5.6 tt -174.15 158.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -178.74 100.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 282' ' ' ASN . 3.3 t -103.14 158.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . 0.405 ' N ' ' CG1' ' A' ' 281' ' ' VAL . 15.6 p-10 -168.07 148.88 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -171.28 149.05 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -176.1 115.96 0.28 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.61 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.15 116.8 1.1 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -178.72 4.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.82 159.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 121.36 146.05 7.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 167.19 105.48 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -172.33 124.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 0.0 OUTLIER -131.39 153.14 81.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 177.94 7.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.445 1.76 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 179.6 87.25 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -130.54 161.0 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.7 t -149.55 53.3 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.12 114.85 60.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 7.4 mttm 56.34 69.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 36.7 p -89.19 135.72 31.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.04 13.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 8.6 t -71.66 101.49 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.513 ' CB ' HG21 ' A' ' 425' ' ' THR . 9.6 pt20 -89.92 149.18 22.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 4.4 mt 66.38 101.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -100.37 123.76 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 307' ' ' GLY . 0.0 OUTLIER -109.2 143.72 38.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . 0.407 ' N ' ' HE2' ' A' ' 306' ' ' LYS . . . -153.2 168.73 32.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.2 Cg_endo -75.01 147.71 34.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.99 161.87 38.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 476' ' ' ASN . 11.5 p -109.26 105.32 57.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.02 155.37 42.81 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 313' ' ' PRO . 18.0 Cg_endo -75.0 141.72 26.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -75.0 160.38 40.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 66.48 6.04 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -148.76 154.08 39.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -101.07 146.27 27.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.495 HG23 ' HD2' ' A' ' 318' ' ' PRO . 1.5 m -130.43 139.97 37.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' A' ' 317' ' ' THR . 18.1 Cg_endo -75.02 137.55 21.83 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 1.6 m -173.26 85.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.11 156.57 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.84 126.28 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 16.7 m -89.35 155.02 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 152.72 25.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -150.96 150.09 30.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -161.56 146.05 13.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -171.96 138.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -173.27 120.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.754 HD22 ' C ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -168.53 145.02 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 57.7 p -174.78 140.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 331' ' ' PHE . 3.5 tp -169.19 157.62 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' A' ' 330' ' ' LEU . 0.6 OUTLIER -175.4 147.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -175.79 148.96 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -178.1 141.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.0 t -171.71 140.3 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -173.29 158.61 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 336' ' ' VAL . 12.6 p -172.11 115.96 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -178.2 82.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 23.9 pt -106.79 162.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.07 124.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.957 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 13.5 p -169.8 141.56 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . 0.482 HG22 ' HD3' ' A' ' 344' ' ' PRO . 2.7 m -154.67 149.4 26.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 6.2 m -159.58 86.29 2.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.435 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . 0.482 ' HD3' HG22 ' A' ' 342' ' ' THR . 18.3 Cg_endo -74.95 -175.62 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 67.6 p -173.55 171.49 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 173.45 94.18 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.93 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -174.81 150.12 1.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.4 145.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -169.17 157.01 7.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.99 152.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -149.08 115.64 5.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 10.0 m -100.63 166.19 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -154.35 151.07 28.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -172.37 168.69 41.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -178.26 -92.64 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 359' ' ' PRO . 17.6 m 61.88 84.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.776 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -51.08 -53.49 47.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.597 ' O ' HG22 ' A' ' 357' ' ' THR . 18.3 Cg_endo -75.04 178.57 7.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 62.45 165.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -54.1 113.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -79.76 80.7 1.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -105.48 143.63 33.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -150.72 168.33 24.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.54 120.42 67.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -41.85 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 128.57 -83.62 0.33 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 75.8 -58.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 66.9 p -69.39 108.69 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.395 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -158.7 130.58 6.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -176.51 124.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.49 121.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.946 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -176.51 138.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -174.19 170.2 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -172.06 170.27 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 98.0 p -149.17 169.32 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.76 160.26 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.49 161.83 24.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' A' ' 380' ' ' PRO . 0.2 OUTLIER -155.6 154.86 28.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . 0.445 ' HD2' HD23 ' A' ' 379' ' ' LEU . 18.4 Cg_endo -75.01 -176.77 3.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -153.56 137.3 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 3.4 p -164.58 122.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 1.004 HG13 HG23 ' A' ' 384' ' ' VAL . 1.9 p -164.57 146.57 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 1.004 HG23 HG13 ' A' ' 383' ' ' VAL . 3.7 t 75.49 139.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -179.95 120.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 53.3 m -122.97 154.01 38.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -147.89 144.16 18.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 124.25 8.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -123.19 138.93 54.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 10.1 t -158.8 156.79 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 7.9 p -120.81 123.82 71.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -128.46 116.49 19.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -110.06 154.99 16.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 73.6 p -121.12 131.52 54.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 3.2 p -102.88 -4.97 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -176.5 164.31 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.51 -66.27 2.41 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.566 1.166 . . . . 0.0 111.031 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 174.87 100.36 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.46 162.06 32.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.009 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -146.0 73.92 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -54.81 165.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 90.83 -178.93 42.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.655 ' CZ ' ' CE2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -57.21 -169.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.244 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -50.27 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.543 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 8.5 m-20 -116.04 156.09 26.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.9 160.96 59.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.455 ' N ' ' NE2' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.98 134.34 17.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.0 145.25 31.21 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 85.2 -19.02 24.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.4 t80 -37.7 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.421 ' SD ' HG12 ' A' ' 438' ' ' VAL . 8.8 mtt -113.68 -70.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 23.1 p90 -161.47 176.88 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.654 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.684 HG11 HG23 ' A' ' 438' ' ' VAL . 1.0 OUTLIER -120.49 167.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.7 tp60 -133.61 118.12 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.817 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.19 156.97 23.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -124.97 -1.03 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.489 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.5 m-70 -148.98 169.87 19.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.572 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -106.98 103.91 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 1.024 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.1 t80 -115.26 113.56 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 22.1 m -80.13 114.46 19.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 1.024 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 116.34 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.0 p -120.77 94.27 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.531 ' CB ' ' OE1' ' A' ' 427' ' ' GLU . 20.9 t0 -140.56 -178.49 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.513 HG21 ' CB ' ' A' ' 303' ' ' GLN . 9.4 p -74.58 -6.01 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -168.7 47.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.83 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 1.1 tp10 -93.75 169.93 9.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.674 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -128.48 112.48 14.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.687 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.5 tt0 -77.87 132.35 37.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 436' ' ' VAL . 2.8 mm? -122.8 145.06 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -125.05 134.26 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.38 99.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.03 47.74 2.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.548 ' OD2' HD13 ' A' ' 430' ' ' LEU . 29.0 t70 -110.15 169.34 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.654 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -117.16 124.82 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 430' ' ' LEU . 3.3 t -137.08 139.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.803 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -99.97 130.94 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.684 HG23 HG11 ' A' ' 414' ' ' VAL . 4.3 t -80.41 110.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -120.56 153.89 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -54.86 -173.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -90.12 -31.76 16.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -156.48 146.23 15.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.82 20.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.78 -23.89 63.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.82 -21.25 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 3.0 tt0 -72.03 143.48 49.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -104.21 157.17 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.4 108.03 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.61 2.91 56.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.585 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -130.96 150.2 52.22 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.919 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -140.98 170.45 15.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 2.9 ttm -89.03 113.62 24.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.07 161.33 24.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.803 HG13 ' HG ' ' A' ' 437' ' ' LEU . 13.9 p -120.86 144.97 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.424 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 0.9 OUTLIER -78.73 160.8 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.54 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.3 tt0 -58.25 -40.26 81.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.672 ' HB2' HG22 ' A' ' 455' ' ' VAL . 40.6 m-20 -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.683 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.9 t90 -52.73 -47.05 67.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -63.1 -23.57 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -86.99 18.2 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 405' ' ' ASP . 2.0 t-80 -44.5 -24.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.55 -30.77 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -138.0 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 463' ' ' HIS . 0.2 OUTLIER -63.68 -31.42 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -17.68 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 7.21 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.413 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -114.21 -11.2 12.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 4.8 mtm180 -62.95 153.11 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.674 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -169.52 179.85 41.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 473' ' ' PHE . 2.9 t -124.18 158.56 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.422 ' N ' ' CG1' ' A' ' 472' ' ' VAL . 17.5 p90 -164.02 153.17 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.585 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 120.59 6.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.554 1.818 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.919 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.0 tt0 -67.43 -39.43 85.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.685 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.6 m-20 -58.86 -30.72 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.88 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -84.37 2.96 38.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.88 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -132.76 176.27 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -136.53 151.25 49.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 2.7 mtt180 -83.43 137.78 33.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.13 117.49 58.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 140.29 106.03 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.95 116.78 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -169.59 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -172.68 165.84 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -176.52 171.6 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 9.4 t -171.58 143.42 1.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.3 Cg_endo -75.01 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.1 91.6 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.42 149.52 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -109.52 171.36 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.74 155.9 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.12 150.17 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.56 164.86 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.64 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.49 104.58 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.86 151.93 22.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.5 2.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -172.45 140.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -151.22 -177.85 25.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.53 125.9 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -153.3 132.28 12.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 292' ' ' THR . 12.0 t -114.97 107.16 50.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.57 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 147.09 105.55 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -128.71 121.68 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 21.0 m -109.56 128.53 55.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.4 mp -95.16 112.09 57.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 126.9 29.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.95 120.18 29.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 157.02 42.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.59 81.43 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.408 ' HB2' HG21 ' A' ' 425' ' ' THR . 10.8 pt20 -95.35 139.02 32.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.3 100.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -102.16 147.51 26.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -116.88 143.98 45.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -144.51 161.83 27.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.97 150.44 38.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.428 1.752 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.99 161.62 38.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.0 p -111.91 105.4 56.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.09 43.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.97 21.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.35 40.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.793 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -44.54 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.31 59.19 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -116.92 153.0 33.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 318' ' ' PRO . 4.9 t -131.27 146.2 60.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 317' ' ' THR . 18.5 Cg_endo -74.98 119.92 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.428 1.751 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 320' ' ' LYS . 8.5 t -117.67 158.12 25.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 319' ' ' SER . 0.2 OUTLIER -178.84 147.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -106.22 170.0 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.5 p -139.39 153.38 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.0 120.24 41.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -54.84 176.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -65.06 177.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -161.63 170.59 19.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 14.0 mt 63.58 117.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.91 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 77.6 p -115.72 143.17 45.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.49 159.06 33.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -155.82 146.58 22.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.95 151.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -178.52 144.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.4 t -172.1 132.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 162.18 23.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 3.2 p -156.84 119.35 2.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.18 42.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -175.7 128.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 1.5 tt -171.53 149.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.4 m -134.58 -179.24 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.004 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 2.7 p -156.42 145.4 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 72.4 p -131.24 -173.97 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 25.3 m -156.36 90.46 2.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.6 161.05 41.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.45 117.57 2.36 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -164.09 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 349' ' ' GLU . . . -171.64 155.13 3.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 348' ' ' ALA . 1.6 mt-10 166.39 156.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.326 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -171.28 147.88 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 7.4 t -171.56 138.05 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -160.11 90.32 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 84.1 t -96.93 134.84 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -154.01 158.97 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 138.31 171.73 12.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 357' ' ' THR . . . 75.67 -177.0 50.12 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 356' ' ' GLY . 22.1 m -38.49 143.24 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -64.49 116.11 25.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -177.03 -61.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -176.51 174.63 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -179.24 147.97 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -174.7 175.92 2.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.85 171.71 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -150.6 137.64 11.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -120.15 -120.0 2.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -146.24 148.1 32.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.766 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 6.4 t -144.44 132.52 21.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -60.37 165.67 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -78.49 -70.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.32 -64.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.11 101.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -150.13 169.86 20.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -174.04 155.57 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 53.8 p -173.26 169.34 4.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.26 170.66 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 88.5 p -119.02 169.61 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.6 94.47 2.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.03 32.15 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -107.39 -173.65 2.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 383' ' ' VAL . 9.1 p -147.55 161.45 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.411 ' N ' HG22 ' A' ' 382' ' ' VAL . 7.7 p -127.27 153.24 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.2 p -138.15 137.29 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -114.52 165.75 12.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 39.7 p -108.39 -167.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 388' ' ' PRO . 3.5 p90 -142.17 140.66 19.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 111.039 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 387' ' ' PHE . 18.2 Cg_endo -74.98 163.82 34.61 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -154.66 161.61 41.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 12.3 t -76.83 148.88 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.7 -63.07 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 59.88 93.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -83.06 -162.02 31.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.43 123.47 42.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 70.0 t -89.05 134.06 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.07 149.2 25.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -165.48 123.88 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 58.59 169.61 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 3.9 m -131.39 83.51 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -81.3 106.49 2.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -77.2 -53.82 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 76.4 -174.67 53.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.558 ' H ' ' NE ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -72.32 -171.6 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -124.84 -41.16 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -113.23 154.8 26.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.9 160.53 55.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.02 134.44 17.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 141.98 27.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.13 -22.84 24.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.7 t80 -36.75 147.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 111.007 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.416 ' CE ' HG12 ' A' ' 438' ' ' VAL . 7.7 mtt -108.76 -67.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 30.1 p90 -160.37 173.25 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.843 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -93.8 142.8 26.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.923 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.6 m -124.77 160.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 4.8 tp60 -129.58 125.45 36.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.762 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -69.2 146.81 52.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.37 -1.75 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.485 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.6 m-70 -148.62 170.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 p-10 -108.05 106.14 16.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.877 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -114.88 111.65 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 8.7 m -80.19 113.82 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.877 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.24 117.54 32.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 29.7 p -118.35 94.24 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -141.04 -174.78 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.408 HG21 ' HB2' ' A' ' 303' ' ' GLN . 7.0 t -85.06 -0.25 53.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -172.46 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.404 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 2.7 mm-40 -93.72 170.01 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.687 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.5 tp -123.64 114.35 19.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.486 ' C ' HD22 ' A' ' 430' ' ' LEU . 4.3 tt0 -83.73 135.68 34.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.063 HD11 ' CG2' ' A' ' 436' ' ' VAL . 3.7 mm? -128.79 143.98 51.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.95 124.83 40.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -27.23 108.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.82 48.5 3.62 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.68 ' HB3' HD12 ' A' ' 430' ' ' LEU . 6.0 t0 -107.03 169.09 8.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.843 HG13 ' HE3' ' A' ' 413' ' ' LYS . 13.9 t -119.31 114.92 46.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.063 ' CG2' HD11 ' A' ' 430' ' ' LEU . 68.9 t -129.65 136.17 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.8 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -102.74 128.61 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.661 HG23 ' CG1' ' A' ' 414' ' ' VAL . 45.5 t -76.65 120.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.768 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.36 153.08 80.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.6 -175.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -26.22 35.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.15 148.67 9.62 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.86 16.38 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -19.93 62.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.75 -10.22 46.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.64 152.85 22.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.415 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 13.0 t70 -108.88 164.93 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 111.0 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.25 -5.24 58.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.56 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.4 m95 -126.41 153.21 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -143.59 172.36 12.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.406 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -91.2 114.04 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.0 172.37 21.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.8 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.1 p -132.57 139.4 49.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.462 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -75.79 160.39 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.33 -35.96 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -43.31 75.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.468 ' HB2' HG22 ' A' ' 455' ' ' VAL . 4.9 m-20 -62.43 -32.64 73.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.623 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.8 t90 -51.7 -47.64 63.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -55.44 -25.87 38.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -90.51 16.9 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -23.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -57.65 -29.98 65.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . 0.407 ' HE3' ' CG ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -146.41 50.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 467' ' ' GLU . 0.2 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.589 ' HG3' HD23 ' A' ' 466' ' ' LEU . 4.5 mt-10 -57.97 -17.65 18.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -110.44 7.49 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.99 0.77 9.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.53 146.11 36.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.687 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -157.5 -179.95 32.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.5 t -124.94 154.35 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 18.1 p90 -159.61 149.56 14.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 119.14 5.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.705 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.47 -35.91 80.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.718 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.2 m-20 -62.29 -28.45 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -88.55 3.1 51.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.776 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.78 173.58 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -127.35 150.24 49.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.0 mtt180 -85.54 137.36 32.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.504 HG21 ' HZ3' ' A' ' 413' ' ' LYS . 46.8 t -114.43 117.71 42.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -176.64 145.53 7.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 2.8 t -173.73 113.35 0.33 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -170.12 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -168.91 165.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -152.63 173.79 14.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 4.5 m -162.08 89.54 1.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -175.46 2.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -151.0 174.42 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.2 tp -171.79 119.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.42 161.55 37.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . 0.52 HG22 ' H ' ' A' ' 282' ' ' ASN . 9.8 p -169.64 170.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . 0.52 ' H ' HG22 ' A' ' 281' ' ' VAL . 1.8 t30 -170.21 165.36 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -162.32 175.88 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.559 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.87 109.14 0.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.63 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -148.19 140.81 14.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -176.0 2.65 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -155.5 160.33 40.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -167.63 171.75 42.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -154.12 -172.47 22.14 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.78 149.72 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 52.8 m -152.68 112.92 2.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.34 35.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -108.7 -78.52 1.07 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . 63.88 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.7 t -161.58 152.71 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.18 86.4 0.8 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.98 21.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -110.87 119.46 39.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 10.7 p -95.14 138.31 22.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 150.42 38.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 47.5 t -86.14 104.86 16.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.4 ' NE2' ' HB2' ' A' ' 304' ' ' LEU . 0.0 OUTLIER -61.54 136.24 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . 0.4 ' HB2' ' NE2' ' A' ' 303' ' ' GLN . 0.3 OUTLIER 66.94 88.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -101.72 136.66 41.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 144.63 42.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -150.79 162.57 29.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo -74.96 145.98 32.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.2 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.779 HG13 ' HB2' ' A' ' 476' ' ' ASN . 13.6 p -106.44 105.13 53.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -74.94 149.35 36.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.4 Cg_endo -75.02 157.22 42.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.3 Cg_endo -74.99 151.61 39.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.2 Cg_endo -75.0 -54.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.09 91.6 5.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -114.41 140.94 48.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.622 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 4.9 t -57.09 118.13 22.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 72.67 4.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.88 174.76 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 116.38 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.15 138.57 49.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 322' ' ' VAL . 71.8 t -72.79 77.79 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 128.48 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.52 148.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -110.24 136.56 49.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.02 162.22 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.4 pp -75.29 -171.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.465 HD22 ' C ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -151.6 172.11 16.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . 0.45 ' N ' HD22 ' A' ' 328' ' ' LEU . 0.4 OUTLIER -128.42 155.0 45.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.74 149.07 52.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 331' ' ' PHE . 10.0 p90 -129.16 167.83 17.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.15 160.24 31.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.98 166.06 23.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 22.0 m -150.49 146.26 26.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -148.08 164.61 33.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.49 124.63 5.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.06 7.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.91 148.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 6.3 tt -168.26 158.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.5 t -136.26 161.99 34.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.45 172.25 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 2.2 t -149.02 142.35 25.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 8.6 m -120.18 107.97 38.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -177.11 3.24 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 90.5 p -155.62 171.19 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -157.44 122.14 2.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.87 5.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -153.09 177.11 11.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.23 161.07 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -164.1 165.69 22.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 20.8 t -177.26 138.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.06 168.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 93.8 t 63.46 137.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -176.54 155.45 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 132.63 179.12 15.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 152.68 -122.64 1.33 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 41.0 m 61.35 98.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.381 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . 0.472 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER 171.18 -55.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 358' ' ' GLN . 18.3 Cg_endo -75.04 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -52.99 168.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -42.2 125.22 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 152.37 86.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -175.79 172.26 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 68.26 81.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.99 83.51 44.24 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.98 25.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -165.53 167.7 39.11 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.52 158.97 40.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.259 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 15.3 t -144.29 164.43 30.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -171.9 159.88 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -170.77 165.68 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 10.0 p -172.17 143.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 374' ' ' ALA . 0.0 OUTLIER -171.46 171.52 5.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 373' ' ' GLU . . . 179.81 139.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -172.71 153.19 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 53.5 p -179.42 164.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.93 164.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.5 114.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.11 92.69 6.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.25 6.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -150.34 132.45 15.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 7.2 p -170.81 125.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 9.1 p -167.54 153.78 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.3 p -163.19 140.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.78 128.75 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.093 . . . . 0.0 110.365 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.7 m 62.09 128.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 387' ' ' PHE . 20.4 p90 -106.86 138.13 19.7 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 387' ' ' PHE . 18.3 Cg_endo -75.05 131.04 13.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.442 1.759 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -168.62 64.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 72.6 p -126.37 62.66 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 32.8 m -105.12 126.81 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.18 148.41 37.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -129.36 152.32 19.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.152 . . . . 0.0 110.988 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.8 m 59.67 151.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 35.2 m -100.96 164.09 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -89.99 117.81 29.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -143.99 133.26 5.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 150.85 129.83 1.65 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.93 142.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 0.734 . . . . 0.0 109.98 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -105.06 -62.78 0.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -124.51 141.35 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -154.47 -166.51 15.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.634 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -104.98 137.47 42.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.18 -34.52 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.51 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 7.1 m-20 -72.63 155.03 40.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 158.56 31.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.94 136.22 20.25 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.457 1.767 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 137.34 21.55 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.2 -23.3 15.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 25.8 t80 -36.84 152.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -115.6 -66.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.527 ' CE2' ' HD3' ' A' ' 480' ' ' ARG . 36.6 p90 -158.88 176.05 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.049 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.443 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -100.15 150.28 22.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.529 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.2 m -131.92 165.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -133.4 121.4 22.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.757 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -64.41 153.01 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -122.75 -1.48 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.1 m-70 -147.99 169.89 18.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.567 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -107.68 101.43 10.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.868 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -111.67 112.4 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.6 m -80.61 114.39 19.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.868 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.92 116.4 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.0 p -118.6 92.73 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 7.6 t0 -142.87 -174.9 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -85.83 -7.41 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -158.28 40.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -98.72 161.78 13.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 471' ' ' GLY . 0.3 OUTLIER -123.29 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.78 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.9 tt0 -82.26 139.05 34.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.063 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -130.17 141.59 50.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -123.02 131.43 53.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.97 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.17 44.44 3.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.589 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.8 t0 -107.03 166.34 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.566 HG23 ' CB ' ' A' ' 457' ' ' GLU . 1.2 m -114.92 124.56 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.063 HG21 HD11 ' A' ' 430' ' ' LEU . 18.9 t -136.61 144.94 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.71 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.56 132.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.529 HG23 ' CG1' ' A' ' 414' ' ' VAL . 6.0 t -84.78 118.2 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.761 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -126.09 152.82 73.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.53 4.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.43 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.48 -10.46 56.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.33 148.48 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.27 -27.86 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -86.01 -10.99 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.01 149.26 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -102.22 169.7 8.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.16 107.34 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.29 -10.24 59.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -123.53 143.27 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -131.93 172.41 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.74 112.92 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.761 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -128.37 -179.97 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 459' ' ' ASP . 11.1 p -138.97 144.7 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.27 158.72 26.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.566 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.2 tt0 -57.32 -38.2 73.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -40.04 87.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.775 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.4 m-20 -60.0 -33.14 71.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.445 ' CD1' ' HD3' ' A' ' 403' ' ' ARG . 3.7 t90 -52.52 -47.94 66.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -67.52 -25.18 65.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -85.56 18.53 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.634 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.83 -24.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.619 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.91 -32.73 68.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -139.01 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -32.03 70.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -61.04 -23.73 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -109.38 7.39 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -8.7 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -61.69 151.65 33.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.566 ' C ' HD12 ' A' ' 428' ' ' LEU . . . -167.11 178.59 41.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -122.17 160.08 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.5 p90 -163.39 154.04 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 117.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.0 tt0 -68.43 -29.82 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.779 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -67.56 -29.15 68.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.916 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -86.98 3.43 45.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.916 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -130.02 175.72 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.75 148.56 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.527 ' HD3' ' CE2' ' A' ' 412' ' ' PHE . 3.7 mtt180 -82.47 141.47 32.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.435 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 69.0 t -115.6 124.43 29.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -97.12 -83.01 1.67 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 83.8 p -175.03 110.36 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 110.033 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.93 3.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 275' ' ' ALA . . . -173.99 153.48 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 274' ' ' ALA . . . 178.32 173.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.91 110.05 0.83 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.13 170.88 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.99 137.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -148.75 150.51 33.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.0 p -169.49 163.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.83 167.77 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -164.85 176.81 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.581 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -176.65 126.3 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -172.86 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.792 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.99 139.23 14.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -176.67 3.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -159.14 170.72 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.38 -177.24 23.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -163.99 -172.18 31.14 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . 0.406 ' O ' ' HB ' ' A' ' 292' ' ' THR . . . -149.73 174.87 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 292' ' ' THR . 8.3 t -175.43 69.8 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.56 12.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -157.1 -165.8 15.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -168.37 175.23 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 4.4 m -152.72 151.05 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 297' ' ' LEU . 2.5 pp -146.23 97.78 4.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -179.67 5.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -164.88 139.26 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.2 122.86 27.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.1 42.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.554 1.818 . . . . 0.0 111.015 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 11.9 t -111.75 75.19 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -98.43 137.06 37.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 3.0 mt 71.3 56.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -80.48 150.8 29.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.67 166.33 21.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -150.6 160.99 28.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.95 152.52 41.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -75.05 160.09 40.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.9 p -113.72 104.12 55.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -74.97 140.19 25.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.2 Cg_endo -75.0 159.38 41.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.4 Cg_endo -75.0 147.57 34.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.3 Cg_endo -75.03 104.35 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.88 115.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -84.67 132.91 34.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 317' ' ' THR . 14.7 t -164.4 109.33 0.88 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.17 3.26 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.66 141.31 28.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.31 166.47 18.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.3 155.32 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 323' ' ' LYS . 10.5 p -136.96 169.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . 0.472 ' N ' HG22 ' A' ' 322' ' ' VAL . 13.1 mtmt 66.66 106.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -176.02 85.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.06 164.13 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.13 146.5 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 13.1 mm -134.63 146.23 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 328' ' ' LEU . 0.0 OUTLIER -152.06 153.63 34.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . 0.482 ' N ' HD22 ' A' ' 328' ' ' LEU . 0.6 OUTLIER -179.7 156.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.0 161.28 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -175.35 154.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -175.79 145.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -171.51 135.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.4 t -164.27 153.06 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -178.0 99.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 10.8 m -98.36 122.21 54.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.68 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -166.0 153.15 9.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 4.3 tp -164.98 125.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 11.2 p -134.74 153.64 51.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.976 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 25.5 m -144.97 179.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 22.0 m -157.95 134.23 9.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.395 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 10.3 t -120.43 127.83 26.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.023 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 18.9 m -163.96 179.18 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -150.42 153.71 34.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -164.57 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -143.66 -60.36 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.67 160.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -178.78 167.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.38 171.01 19.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.79 164.29 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 4.6 p -124.44 143.42 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -127.49 130.85 49.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -152.07 137.28 5.85 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -146.4 173.13 26.78 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 10.8 p -130.42 105.39 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -175.19 165.73 2.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.96 2.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 62.52 136.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -174.97 114.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -140.28 164.54 26.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -166.45 152.18 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -154.88 167.89 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 366' ' ' PRO . 1.1 mt-10 -164.34 140.32 4.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.257 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.02 -175.2 2.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -127.57 -150.52 7.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -156.9 169.12 25.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 2.4 t -158.23 124.62 4.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.37 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -117.9 163.26 16.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -170.11 158.98 7.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.62 163.37 4.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.96 163.86 38.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -169.75 152.66 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -165.0 172.59 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.04 170.38 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.6 162.66 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.66 112.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.93 68.9 0.5 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 174.23 13.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -171.17 143.71 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.62 157.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 11.7 p -161.4 145.11 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.95 144.82 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -167.74 135.51 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 74.8 p -110.01 175.41 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -170.95 104.32 0.4 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 160.79 39.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -151.27 151.64 32.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 3.6 m -147.92 110.17 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 87.0 t -131.73 129.33 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -157.2 104.2 2.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 164.01 108.67 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.4 t -171.11 61.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.448 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 4.9 t -87.29 145.74 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -119.65 153.92 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 66.25 143.61 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -128.17 -158.85 9.83 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 4.5 t -120.8 137.19 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 50.48 -170.31 0.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -150.72 -66.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 127.13 -168.71 19.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.498 ' O ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -76.11 173.09 11.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.68 -34.97 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -111.71 155.35 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.7 161.4 47.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -74.99 134.96 18.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.03 137.79 22.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 92.15 -23.31 27.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.08 148.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -107.48 -69.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.2 p90 -159.98 177.11 11.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.578 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.3 OUTLIER -94.51 144.98 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.71 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.8 m -132.73 163.2 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 481' ' ' VAL . 1.5 tp60 -134.61 124.66 25.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.11 154.6 37.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 478' ' ' THR . 3.8 mt-30 -124.45 -1.56 8.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.476 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.0 m-70 -147.97 169.97 18.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.74 100.62 9.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.881 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -111.28 108.99 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 46.3 m -77.59 113.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.881 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.12 117.94 34.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.1 p -119.16 94.09 4.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -141.54 -177.51 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -84.91 6.65 24.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.42 45.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.67 170.37 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.525 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -125.53 113.52 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.424 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -81.97 135.57 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.925 HD11 ' CG2' ' A' ' 436' ' ' VAL . 3.2 mm? -126.83 147.99 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.83 129.85 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.19 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.69 47.35 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.555 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.0 t0 -111.05 166.81 10.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 457' ' ' GLU . 2.8 m -117.17 121.93 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.925 ' CG2' HD11 ' A' ' 430' ' ' LEU . 24.3 t -133.22 149.8 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.578 HD23 ' HE3' ' A' ' 413' ' ' LYS . 0.1 OUTLIER -113.71 128.29 56.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.71 HG23 ' CG1' ' A' ' 414' ' ' VAL . 55.9 t -77.08 120.64 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.75 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.95 4.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.44 -172.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -86.5 -20.88 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.406 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -169.48 149.22 3.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.406 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.01 -17.73 19.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -19.56 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -90.53 -7.99 51.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.442 ' CG ' ' HA ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -92.24 149.65 21.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.468 ' OD1' ' CD1' ' A' ' 451' ' ' TRP . 6.3 t70 -106.43 166.8 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.32 111.15 9.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 95.82 6.87 59.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.715 ' C ' HD23 ' A' ' 452' ' ' LEU . 5.2 m95 -131.57 156.02 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -146.72 169.1 19.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -90.83 112.76 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.75 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.06 166.91 24.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.898 HG22 ' HB2' ' A' ' 459' ' ' ASP . 9.7 p -129.97 145.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.498 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 3.4 mtmp? -75.99 163.75 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.582 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.5 tt0 -59.49 -44.99 92.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -40.76 75.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.898 ' HB2' HG22 ' A' ' 455' ' ' VAL . 88.9 m-20 -67.11 -31.3 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.522 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -50.08 -47.2 53.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -55.53 -26.58 43.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.498 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -88.5 16.57 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.483 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -45.28 -22.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.597 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.2 mttp -58.33 -40.67 82.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -147.62 47.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 463' ' ' HIS . 2.1 pt? -70.8 -30.2 66.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 2.3 mt-10 -55.45 -17.17 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -101.79 8.09 41.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 469' ' ' CYS . 0.5 OUTLIER -130.3 8.51 5.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.439 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -57.12 155.3 8.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.525 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -158.24 -178.88 32.69 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.85 157.19 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -164.61 152.9 10.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -74.98 122.2 7.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.747 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -68.76 -40.54 79.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.672 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -59.21 -28.91 67.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.837 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -83.95 1.21 44.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.837 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.81 -179.92 5.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.84 154.26 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.478 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 9.2 mtt180 -78.5 138.48 38.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 413' ' ' LYS . 2.4 t -106.1 118.82 54.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -156.91 -162.03 11.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.99 105.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 171.91 17.4 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.23 175.49 9.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -140.23 157.63 45.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 89.7 m -132.83 118.76 15.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.1 23.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.35 160.99 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.96 136.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.54 150.87 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.45 140.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -136.96 177.6 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.87 175.44 13.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.55 146.05 10.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.63 10.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.504 1.792 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.45 122.77 17.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.75 42.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.02 39.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -149.55 170.56 29.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -161.92 163.9 35.02 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -152.72 147.95 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 292' ' ' THR . 12.9 t -172.55 89.78 0.41 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.38 24.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . 0.643 ' O ' ' HB2' ' A' ' 295' ' ' ALA . . . -144.62 144.73 13.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 294' ' ' GLY . . . 167.04 104.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 1.7 p -111.73 -23.02 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.409 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 53.99 87.41 0.14 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.97 3.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.76 165.95 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.43 104.29 55.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 140.93 26.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 0.452 ' HB3' ' CG ' ' A' ' 305' ' ' ARG . 0.2 OUTLIER -47.77 114.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.52 129.92 45.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.32 58.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . 0.452 ' CG ' ' HB3' ' A' ' 302' ' ' SER . 77.0 mtp180 -80.57 151.15 29.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.85 163.76 24.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -145.09 171.55 26.19 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.123 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.5 Cg_endo -74.95 148.34 35.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -75.01 157.99 42.4 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 476' ' ' ASN . 5.0 p -107.83 105.05 55.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 159.73 40.81 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.99 41.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.62 43.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 72.02 4.77 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -123.23 -61.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.58 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.616 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 4.0 t -144.54 113.6 5.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.2 87.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.8 157.94 15.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -142.16 165.77 26.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 4.6 p -174.57 125.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -103.15 -179.5 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.97 178.56 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -144.42 -179.51 6.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.95 -178.96 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 7.9 tt -155.96 171.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 329' ' ' SER . 0.0 OUTLIER -145.4 169.3 18.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . 0.498 ' N ' HD22 ' A' ' 328' ' ' LEU . 0.2 OUTLIER -141.88 163.88 31.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.96 148.93 44.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -124.73 -175.05 3.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.14 174.55 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -172.67 126.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 11.7 p -98.03 -177.88 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -166.04 168.9 15.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 13.0 p -153.63 128.78 4.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.71 4.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.769 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -174.91 146.35 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -173.66 133.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 64.4 p -155.66 149.54 25.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 8.5 p -168.56 162.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 6.0 t -167.83 150.79 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 5.2 m -161.93 108.47 1.16 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.37 163.9 6.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -170.54 108.11 0.43 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . 0.462 ' O ' ' HB2' ' A' ' 348' ' ' ALA . 18.2 Cg_endo -74.98 175.49 11.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 347' ' ' PRO . . . 177.08 134.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 350' ' ' ALA . 2.7 mm-40 174.12 158.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 349' ' ' GLU . . . 75.33 130.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.39 120.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 110.053 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 155.0 22.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 72.9 t -125.58 -61.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 59.47 108.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -145.34 172.33 26.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -153.84 -102.5 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 4.0 m -42.28 -30.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.0 94.37 4.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.45 38.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -125.58 137.8 53.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -72.28 112.69 8.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -86.48 -119.42 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -172.76 164.22 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.54 130.54 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.13 144.61 8.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.7 8.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -87.54 -145.53 10.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.11 175.42 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 22.9 p -132.41 -179.37 5.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -140.99 173.14 11.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -140.12 157.74 45.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 31.5 m -141.63 147.85 38.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -110.45 171.1 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -123.62 173.91 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -146.8 168.45 21.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 60.0 p -131.98 171.17 13.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 1.3 m -151.72 169.63 21.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 9.6 p -151.87 171.5 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 379' ' ' LEU . 1.9 pt? -148.89 151.46 34.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -179.11 4.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -117.33 175.75 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 68.4 t -107.48 137.75 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 87.5 t -112.01 116.59 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 7.5 p -85.48 149.4 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -126.89 170.92 11.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 16.7 m -127.84 161.34 29.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 387' ' ' PHE . 0.8 OUTLIER -136.5 152.28 74.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.6 43.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -99.64 149.36 23.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.2 p -125.98 159.11 33.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 35.2 m -103.37 139.05 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -104.8 158.47 16.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -176.9 -149.68 7.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.5 m -99.41 128.8 45.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 34.9 m -133.37 156.47 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.3 76.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 110.256 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -162.52 -153.45 7.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 108.31 -156.33 15.8 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 6.5 t -55.64 152.16 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.966 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -108.26 -77.79 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -55.6 135.33 51.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -177.18 -169.6 38.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.403 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -74.0 -171.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.754 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 404' ' ' LEU . 2.5 pt? -124.65 -42.42 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -114.98 155.02 27.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 160.49 58.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.69 18.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.051 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 144.19 30.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.21 -21.19 22.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 20.7 t80 -36.92 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.965 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -111.76 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.535 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.5 p90 -161.2 174.39 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.692 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -94.0 150.5 20.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.669 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -132.78 166.42 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 2.4 tp60 -132.82 122.95 25.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.934 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -65.39 151.5 46.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 478' ' ' THR . 4.0 mt-30 -120.48 -3.28 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.473 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 91.3 m-70 -149.26 169.63 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 8.4 t70 -105.64 104.39 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.898 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -114.07 108.82 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -78.71 113.6 16.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.898 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.38 118.15 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 41.7 p -118.63 94.36 4.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -141.35 -175.93 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -87.06 7.36 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -177.04 39.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.75 170.71 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.21 113.6 17.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.7 137.11 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.934 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -130.23 149.32 51.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -128.59 133.94 48.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.76 99.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.23 48.46 1.71 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.567 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 13.2 t70 -109.82 169.55 8.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.692 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.0 OUTLIER -118.46 121.49 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.472 ' C ' HD23 ' A' ' 437' ' ' LEU . 7.3 t -133.98 143.55 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.876 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.29 131.43 54.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.669 HG23 ' CG1' ' A' ' 414' ' ' VAL . 96.9 t -80.91 120.8 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.743 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.87 152.45 79.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.98 -171.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -85.21 -16.42 40.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.409 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -176.11 148.1 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.409 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.1 Cg_endo -75.05 -19.7 17.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -92.49 -12.21 32.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.16 148.83 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -99.02 174.01 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.89 112.21 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.79 -9.76 62.14 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 474' ' ' PRO . 3.0 m95 -117.18 158.82 23.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -149.45 170.85 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -91.92 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.743 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.21 175.5 19.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.876 HG13 ' HG ' ' A' ' 437' ' ' LEU . 8.9 p -136.16 142.28 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.266 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.403 ' HD2' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -79.57 159.94 26.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.518 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.3 tt0 -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.39 70.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER -60.43 -32.66 71.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.646 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.2 t90 -51.21 -47.79 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -54.37 -25.39 24.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.446 ' C ' ' N ' ' A' ' 464' ' ' LYS . 69.7 mm-40 -91.14 16.88 8.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -45.61 -22.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -57.79 -29.61 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -149.71 56.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 0.3 OUTLIER -69.52 -31.17 69.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.12 -17.89 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.05 7.78 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 -1.55 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 108.294 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 13.3 mtm180 -66.52 155.49 37.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.67 177.22 36.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.92 155.03 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.297 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.461 ' HB2' HD13 ' A' ' 430' ' ' LEU . 16.2 p90 -162.87 153.26 13.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.07 119.93 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.5 OUTLIER -69.16 -33.68 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.606 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.6 OUTLIER -64.81 -27.81 69.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.822 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -87.11 4.52 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.822 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -131.42 178.82 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -133.09 144.65 50.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.46 142.25 33.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.46 115.43 34.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -172.05 71.59 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 94.4 p -159.96 148.53 13.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 179.19 6.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -142.95 170.99 14.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -143.18 174.51 10.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 0.1 OUTLIER -135.29 147.75 63.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -75.0 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -148.04 155.11 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 2.2 tt -138.35 155.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.06 167.67 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 10.0 p -150.09 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -146.64 167.91 22.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.55 174.65 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.01 147.6 19.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.68 4.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -134.47 146.11 57.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.56 14.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.574 1.828 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.0 163.41 32.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -110.55 -170.59 19.62 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.456 1.098 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -152.69 -155.52 7.13 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -144.74 172.47 12.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 6.6 m -139.44 136.08 17.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.2 Cg_endo -75.0 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -121.57 -146.46 7.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -151.21 168.2 25.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 17.1 m -151.0 128.12 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.97 114.08 56.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 149.73 37.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -99.63 126.68 45.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.33 136.75 19.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 145.98 32.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.54 1.811 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 2.8 m -130.36 113.92 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.491 ' CB ' HG21 ' A' ' 425' ' ' THR . 24.6 pt20 -85.09 145.91 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 424' ' ' ASP . 0.2 OUTLIER -147.65 77.06 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -101.54 108.9 20.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 307' ' ' GLY . 14.7 tppt? 177.78 154.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 306' ' ' LYS . . . 170.36 144.7 4.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.99 143.38 29.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.553 1.817 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -74.96 148.22 35.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.5 p -105.93 104.45 49.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -74.98 145.71 31.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.2 Cg_endo -75.02 146.81 33.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -74.98 158.45 42.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.13 4.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -60.19 -58.92 6.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 6.3 m80 66.31 106.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 319' ' ' SER . 38.2 m -77.89 113.58 34.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.17 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . 0.594 ' O ' HG22 ' A' ' 317' ' ' THR . 22.9 t -80.98 156.5 25.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.21 149.37 42.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.53 168.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.2 m -93.21 -34.48 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 5.0 tttp 59.04 176.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -150.17 143.39 25.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -176.68 126.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -156.47 161.44 40.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 327' ' ' ILE . 0.0 OUTLIER -170.98 87.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.81 138.78 51.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 78.1 p -127.22 162.03 27.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.11 168.51 20.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.22 152.43 30.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -119.18 168.61 10.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.96 127.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.2 t -156.3 153.26 28.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.425 ' O ' HG13 ' A' ' 336' ' ' VAL . 17.8 p90 -136.36 179.45 6.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 335' ' ' PHE . 0.0 OUTLIER -153.76 118.04 2.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.16 2.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -171.57 82.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 4.6 mt -114.46 143.46 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 55.2 p 179.06 69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.06 113.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 343' ' ' THR . 24.2 p -130.85 -74.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.448 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 0.4 OUTLIER 75.75 136.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -75.03 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 346' ' ' GLN . 19.0 m -130.4 -59.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 345' ' ' SER . 0.3 OUTLIER 58.62 115.2 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.304 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -169.09 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -157.46 -65.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.21 169.83 10.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -166.02 66.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 32.2 m 63.16 159.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -167.55 164.11 14.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 354' ' ' ALA . 34.9 m -66.09 156.39 6.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 353' ' ' VAL . . . 71.41 169.16 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -79.85 -160.43 20.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.082 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -100.32 -159.07 28.09 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 358' ' ' GLN . 15.9 p -124.17 159.93 28.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 357' ' ' THR . 0.0 OUTLIER -38.48 99.27 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.94 42.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -128.76 146.12 50.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -69.33 163.31 25.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -155.5 -160.82 10.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -130.16 174.94 9.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -174.3 166.29 4.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.63 151.07 68.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.25 23.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -104.4 -159.39 24.05 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' ' 369' ' ' THR . 0.1 OUTLIER -163.03 -65.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 368' ' ' GLU . 10.7 t 54.27 165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -143.18 170.81 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -163.83 133.85 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.22 162.68 3.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -161.21 158.32 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -147.34 -61.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . 62.71 99.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.6 166.16 25.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.44 149.1 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.96 156.65 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.66 96.09 0.37 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -179.8 5.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -154.05 139.05 17.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 6.2 p -172.6 141.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 1.6 p -143.08 149.52 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 9.4 p -153.66 149.61 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -162.08 88.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.2 m -92.81 112.09 23.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.67 91.68 17.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 111.005 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.09 9.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.806 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -97.77 -170.96 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 27.2 p -143.94 54.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 78.6 t -86.7 82.24 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.66 155.37 18.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -62.82 168.78 17.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 31.0 p -60.38 174.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.805 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 8.7 p -138.15 150.38 24.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.13 101.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 106.56 -75.94 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.948 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 71.8 144.68 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.24 85.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 44.89 84.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -129.71 168.07 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.267 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 80.4 -162.65 45.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.474 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -72.63 -177.67 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -119.75 -39.7 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -112.82 153.34 28.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.66 161.46 53.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.98 134.28 17.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.94 141.46 26.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.462 1.769 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.64 -23.4 16.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.8 t80 -35.98 154.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.9 mtt -116.2 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 22.0 p90 -162.01 175.8 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 144.29 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.934 HG22 ' O ' ' A' ' 436' ' ' VAL . 5.2 m -125.6 164.73 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 2.8 tp60 -134.07 119.31 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.851 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.87 157.16 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.18 -2.38 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.7 m-70 -148.48 170.55 17.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.428 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.2 OUTLIER -109.17 104.67 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.888 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -115.2 120.39 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 55.3 m -85.02 114.86 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.888 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.97 116.56 30.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -119.1 94.4 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 304' ' ' LEU . 16.3 t0 -141.84 -174.74 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.491 HG21 ' CB ' ' A' ' 303' ' ' GLN . 14.9 t -79.23 -14.53 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -160.22 45.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.403 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -92.35 170.58 9.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.692 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -126.29 118.24 24.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.567 ' O ' HD22 ' A' ' 430' ' ' LEU . 1.6 tt0 -84.98 127.96 34.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 416' ' ' ALA . 0.8 OUTLIER -117.22 145.39 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.49 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -128.05 131.01 49.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.73 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.66 42.39 3.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.586 ' OD2' HD13 ' A' ' 430' ' ' LEU . 12.9 t0 -103.98 164.75 11.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 457' ' ' GLU . 3.4 m -118.06 117.71 55.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.934 ' O ' HG22 ' A' ' 414' ' ' VAL . 2.5 t -131.49 141.73 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.715 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -102.15 132.32 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.628 HG23 ' CG1' ' A' ' 414' ' ' VAL . 32.5 t -80.23 116.1 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.772 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -124.08 152.93 67.79 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.77 4.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.443 1.759 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.85 -172.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -83.93 -20.44 32.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.89 148.16 1.66 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.89 14.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.11 -24.75 64.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.438 ' O ' ' NH2' ' A' ' 305' ' ' ARG . 1.9 mt-10 -87.49 -12.48 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.46 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.4 142.73 29.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -84.9 173.43 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.31 108.73 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.27 -4.25 58.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.929 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.5 m95 -122.72 141.95 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.929 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.4 169.68 14.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 1.2 ttm -88.77 113.55 24.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.772 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.23 167.5 23.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.898 HG22 ' HB2' ' A' ' 459' ' ' ASP . 8.9 p -131.11 142.49 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -75.08 160.13 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.48 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.8 tt0 -57.69 -41.7 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -38.61 84.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.898 ' HB2' HG22 ' A' ' 455' ' ' VAL . 54.7 m-20 -66.14 -32.39 73.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.715 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.58 -48.53 63.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -55.93 -25.41 43.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -89.99 17.58 6.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 3.2 t60 -45.65 -22.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -58.22 -30.77 66.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -159.26 51.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -69.75 -30.19 67.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.2 OUTLIER -53.56 -20.77 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -99.83 8.11 44.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.46 6.65 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.45 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 4.0 mtm180 -60.57 152.97 24.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.692 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -160.04 -179.85 35.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.419 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -122.83 155.67 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -160.47 151.83 16.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.97 119.6 5.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -35.7 78.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.546 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -62.47 -31.5 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.889 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -85.04 0.72 50.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.889 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -128.71 174.39 9.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -131.56 153.07 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 3.9 mtt180 -86.95 133.68 33.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.267 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.14 119.59 56.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 82.18 126.45 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.48 107.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 110.016 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 274' ' ' ALA . 18.3 Cg_endo -74.94 -168.73 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 273' ' ' PRO . . . 178.05 162.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -169.33 168.02 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 9.0 m -161.15 100.86 1.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.72 145.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -169.8 123.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -140.23 121.22 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 282' ' ' ASN . 51.3 t -125.79 162.84 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . 0.432 ' N ' HG12 ' A' ' 281' ' ' VAL . 0.7 OUTLIER -169.89 163.41 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -177.74 178.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 173.49 114.26 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -174.66 92.62 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.1 Cg_endo -75.03 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 179.02 167.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 161.15 168.8 23.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 165.6 156.84 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -167.94 176.09 6.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 105.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -158.45 -161.48 11.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -178.63 156.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 78.6 m -156.16 135.05 11.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.45 103.44 3.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -163.37 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 147.25 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 18.1 p -121.23 108.96 35.55 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.32 42.84 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.51 1.795 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.57 80.15 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -98.68 160.65 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.28 88.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -102.11 151.04 22.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 164.91 27.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -154.43 -179.19 29.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -75.01 151.45 39.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.5 Cg_endo -74.98 161.02 39.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.58 HG13 ' HB2' ' A' ' 476' ' ' ASN . 9.9 p -110.6 113.67 55.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -74.99 143.58 29.24 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 313' ' ' PRO . 18.4 Cg_endo -74.98 146.16 32.42 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -75.01 173.23 14.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.449 1.762 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.27 127.02 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.35 74.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 317' ' ' THR . 1.2 m -121.43 93.78 48.7 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.86 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.02 -159.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 78.46 133.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -147.8 133.14 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 14.6 p -78.53 157.66 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -130.38 -169.29 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -148.29 -166.68 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -159.98 -168.97 2.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.85 153.81 28.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . 0.731 HD13 ' H ' ' A' ' 327' ' ' ILE . 0.3 OUTLIER -121.85 -161.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -171.07 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 14.4 p -174.85 116.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.67 179.91 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -155.67 148.6 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -147.19 168.82 20.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -174.1 140.21 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.68 150.81 49.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . 0.462 ' O ' HG13 ' A' ' 336' ' ' VAL . 1.1 m-85 -146.09 161.14 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 335' ' ' PHE . 33.5 m -155.92 114.97 2.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.5 3.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.441 1.758 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.47 149.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.1 tt -170.02 146.15 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . 0.558 ' O ' HG13 ' A' ' 341' ' ' VAL . 3.2 t -178.97 128.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 340' ' ' SER . 30.5 m -157.78 157.25 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 1.5 m -162.16 139.58 8.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 2.9 m -162.78 114.11 1.09 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 44.6 t -176.82 160.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -174.82 89.37 0.31 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 176.74 9.52 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -176.26 163.2 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -178.32 173.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -172.52 175.84 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 1.7 m 179.26 171.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -145.73 176.04 9.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.73 152.5 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -177.4 156.94 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 161.81 168.66 24.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 154.33 -140.64 7.61 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 68.4 p 42.97 91.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.83 117.32 66.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -64.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 61.7 101.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -122.64 174.02 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 145.59 -138.6 7.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 62.8 65.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.258 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 63.1 130.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 56.59 95.29 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 173.13 15.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -121.82 -111.15 2.14 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 65.8 133.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 14.0 t -129.5 149.27 51.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -150.86 139.75 20.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -130.54 -64.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.08 146.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.96 125.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -175.65 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -45.8 129.15 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.14 140.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.54 155.55 36.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 37.5 p -124.96 -63.84 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.54 132.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 176.12 10.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -148.54 92.49 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 46.1 t -103.3 -74.0 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 70.32 125.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 3.4 t -145.95 125.46 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -176.4 152.5 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 8.9 t -144.46 146.01 32.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.69 94.21 39.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.59 5.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.56 153.53 42.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.8 t -168.23 146.31 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 72.5 t -70.04 144.15 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -131.34 134.47 46.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -168.77 125.68 1.3 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 396' ' ' GLU . 22.7 p -107.62 -35.05 6.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 48.6 t 64.79 -79.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 394' ' ' THR . 4.4 mm-40 64.7 102.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -139.61 138.32 9.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 97.39 112.86 3.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 60.8 p -135.91 133.87 38.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 55.67 104.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -110.23 91.0 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 163.18 173.93 32.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.142 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -75.28 -177.91 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.1 pt? -119.14 -40.6 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.534 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 34.8 m-20 -112.39 155.12 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.0 161.39 58.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 134.27 17.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.03 139.28 24.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.466 1.771 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.77 -24.41 15.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.5 t80 -35.74 150.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 111.026 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.0 mtt -112.55 -68.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 17.9 p90 -160.77 177.92 9.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 146.04 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 436' ' ' VAL . 6.1 m -128.03 166.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.5 121.49 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.76 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.55 154.16 39.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -122.47 -3.39 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.518 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.1 m-70 -149.06 170.2 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 9.2 t70 -106.78 101.48 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.81 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -114.0 110.32 19.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.93 116.63 16.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.81 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.63 112.9 24.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . 0.546 ' N ' ' OE1' ' A' ' 427' ' ' GLU . 21.3 p -120.01 92.51 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.425 ' CB ' ' HG3' ' A' ' 427' ' ' GLU . 38.9 t0 -141.92 178.07 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 6.4 t -71.46 -4.51 26.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -169.73 44.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 423' ' ' THR . 1.9 mt-10 -92.09 167.93 11.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.585 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.92 119.96 30.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.74 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.4 tt0 -85.52 134.91 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.059 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -128.82 143.66 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.11 133.77 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -40.0 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.99 47.06 1.8 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.596 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 21.6 t70 -109.41 168.55 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 457' ' ' GLU . 0.8 OUTLIER -117.09 122.84 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.059 HG21 HD11 ' A' ' 430' ' ' LEU . 4.4 t -134.82 142.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.901 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -104.72 132.61 50.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.487 HG23 HG11 ' A' ' 414' ' ' VAL . 5.5 t -80.94 114.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.752 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.47 153.27 62.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.46 -178.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -87.28 0.33 55.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.54 147.34 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.27 20.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.1 -21.62 61.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -11.9 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 3.1 tt0 -84.09 144.97 28.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -105.27 164.39 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 108.39 7.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.04 -11.39 58.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.0 OUTLIER -119.31 150.93 39.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -141.14 172.1 13.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.61 114.66 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.752 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.54 169.24 23.2 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.901 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.4 p -133.03 145.53 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -78.33 160.37 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.467 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.9 tt0 -58.29 -43.73 88.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -38.54 78.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.635 ' HB2' HG22 ' A' ' 455' ' ' VAL . 3.1 m-20 -66.57 -31.44 72.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.772 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -50.51 -47.63 57.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.051 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -56.35 -25.44 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -88.07 16.82 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.8 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -45.45 -23.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.1 mtpm? -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.04 42.02 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.8 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.71 -29.89 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -55.35 -18.32 6.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -102.01 7.06 41.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.6 3.57 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -57.93 154.41 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.585 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -158.72 -179.69 33.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.9 156.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.507 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 22.7 p90 -160.45 149.12 13.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 119.76 5.79 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.725 ' HB2' HD11 ' A' ' 452' ' ' LEU . 2.3 tt0 -67.38 -37.53 83.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.58 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.3 m-20 -60.88 -28.42 68.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.85 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.52 3.01 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.85 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.7 OUTLIER -130.91 173.36 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.29 155.87 47.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -88.58 134.96 33.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.16 117.96 58.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 144.22 -67.99 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 112.34 0.17 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 0.0 110.027 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.7 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -160.75 178.67 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -167.52 175.32 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 276' ' ' THR . 6.5 t -174.23 95.61 0.31 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -175.52 2.41 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.05 163.47 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 6.2 tt -163.7 172.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -172.43 161.02 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.13 134.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -141.86 154.95 45.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.19 150.06 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.59 121.41 3.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.76 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.03 96.42 0.53 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.68 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -178.96 178.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 171.07 176.01 39.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 170.04 157.74 12.82 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -162.13 178.89 8.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 1.5 t -177.06 104.15 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -166.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 164.83 161.43 13.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -174.32 179.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 0.813 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 7.5 t -160.61 177.03 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 1.2 pp -173.31 110.21 0.33 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.45 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.32 159.48 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 69.9 m -119.1 113.36 35.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.82 42.74 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 13.5 p -137.46 77.36 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.508 ' HB2' HG21 ' A' ' 425' ' ' THR . 1.5 pt20 -98.16 161.14 13.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 3.3 tp 67.66 95.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -102.06 151.56 22.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -122.53 145.37 48.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -154.94 157.22 27.46 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.94 148.52 35.7 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.1 Cg_endo -75.07 161.88 37.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.803 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 476' ' ' ASN . 12.5 p -106.04 105.99 55.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.03 144.27 29.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.3 Cg_endo -75.01 139.01 23.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -74.95 165.8 30.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 57.21 4.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.5 -177.48 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -116.89 153.58 32.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 33.4 m -148.27 100.12 3.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.68 31.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.34 169.69 21.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.59 -167.09 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.63 145.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 33.9 m -150.01 175.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -110.33 124.52 51.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -57.92 162.3 3.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -179.86 122.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -137.01 149.18 47.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.6 tp -166.26 147.49 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.67 157.45 12.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.67 151.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.84 145.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -174.88 150.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -176.96 152.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.341 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.24 153.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.7 t -169.31 172.85 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -175.96 151.21 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 29.9 m -146.39 139.87 14.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.12 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -175.22 64.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 2.5 mt -80.59 141.29 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 90.2 p -157.69 151.82 24.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 11.8 p -170.27 159.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 2.9 t -159.09 156.71 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 343' ' ' THR . 12.8 t -151.83 101.58 2.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.398 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.5 -175.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 347' ' ' PRO . 1.7 pt20 -156.29 140.72 11.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 346' ' ' GLN . 18.3 Cg_endo -75.03 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -153.16 169.11 23.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.79 -178.59 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -152.52 -169.09 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 352' ' ' GLU . 0.4 OUTLIER 168.69 173.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 351' ' ' SER . 0.0 OUTLIER 81.3 53.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.44 139.41 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -174.71 156.72 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 142.85 160.59 8.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.82 -135.36 0.65 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 358' ' ' GLN . 1.8 m -42.75 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 0.724 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 357' ' ' THR . 6.3 mt-30 64.67 146.72 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.2 23.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -112.94 163.58 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -157.13 161.73 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -141.27 -106.2 0.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 65.69 118.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.32 164.42 32.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.75 137.47 23.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.69 6.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -135.62 162.66 24.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.05 164.12 26.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 14.9 t -173.91 154.56 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -168.05 149.4 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -172.15 146.88 1.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.29 141.36 6.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.926 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -166.84 171.48 11.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 110.356 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -141.07 172.54 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -151.59 175.17 12.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 86.7 p -140.49 166.61 24.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 60.5 m -115.57 170.16 8.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.14 161.83 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.023 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 4.6 tp -133.97 99.27 13.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.74 41.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -150.81 -179.46 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 64.8 t 57.69 103.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 383' ' ' VAL . 11.8 p -133.56 62.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.4 p -147.55 154.02 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.1 159.17 17.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.2 m -146.19 131.92 18.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -57.53 121.23 46.93 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.39 2.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -47.35 128.79 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.8 t -173.96 120.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 34.7 m -86.87 138.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.24 -51.66 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 102.34 -128.22 9.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 25.8 m 58.64 110.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.385 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.06 -64.37 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.04 -62.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 109.34 -153.83 16.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 56.05 61.9 6.93 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 3.5 t -42.83 164.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 97.89 85.55 1.81 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -155.07 79.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 143.16 -170.06 25.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.485 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -75.2 179.18 5.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.275 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -37.86 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.43 155.1 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.3 161.06 47.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.97 134.33 17.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 142.53 27.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 86.47 -22.23 14.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.2 t80 -36.09 152.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.777 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.464 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 10.0 mtt -113.02 -70.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 12.3 p90 -160.57 175.57 12.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 140.19 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.5 m -122.34 163.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 5.3 tp60 -133.88 120.05 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.729 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.58 150.09 49.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.81 -3.94 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.502 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.0 m-70 -145.88 170.44 16.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.35 105.5 15.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.912 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 0.7 OUTLIER -114.98 108.77 17.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -76.86 113.89 15.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.912 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -105.98 116.98 32.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 70.6 p -117.27 92.42 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -144.02 -174.13 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 303' ' ' GLN . 1.5 t -92.02 8.44 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -178.82 61.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.523 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -119.07 171.62 8.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.88 113.99 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.618 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.6 tt0 -76.9 138.88 40.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 436' ' ' VAL . 3.8 mm? -130.68 136.9 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.5 127.29 50.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.532 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -30.24 105.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.34 3.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.577 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 6.5 t0 -103.52 164.66 11.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.546 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.4 m -119.05 116.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 430' ' ' LEU . 40.8 t -131.49 145.1 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.83 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -106.86 130.47 54.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.644 HG23 HG11 ' A' ' 414' ' ' VAL . 7.2 t -77.8 119.4 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.751 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.71 153.32 79.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.92 -171.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.79 -9.47 55.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 177.74 148.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.03 17.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.37 -22.99 61.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.83 -9.37 54.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.17 148.35 23.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -100.07 166.91 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.34 110.55 13.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.71 3.36 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.637 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.2 m95 -134.39 145.31 48.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -134.11 171.68 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -90.87 113.56 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.751 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.86 169.79 21.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 459' ' ' ASP . 11.1 p -132.26 145.32 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 160.42 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.546 ' HB3' HG23 ' A' ' 435' ' ' VAL . 4.5 tt0 -58.39 -42.52 87.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -39.15 88.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.803 ' HB2' HG22 ' A' ' 455' ' ' VAL . 82.4 m-20 -64.23 -31.71 73.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.83 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -51.73 -47.44 64.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -57.03 -25.53 58.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.499 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -89.75 17.24 6.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 0.8 OUTLIER -45.82 -22.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 4.8 tttt -58.59 -30.57 67.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.86 51.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.4 OUTLIER -69.97 -30.48 67.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 3.5 mt-10 -55.67 -17.56 6.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -100.17 8.16 44.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 5.7 p -130.78 8.4 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.511 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -58.27 154.93 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -164.02 175.5 40.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.12 156.44 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -160.79 152.59 16.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.448 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -68.59 -35.09 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.694 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.0 OUTLIER -63.35 -27.16 69.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.925 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.1 4.03 46.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.925 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -132.97 152.19 51.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 137.96 31.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 36.3 t -111.78 132.84 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 110.992 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 173.88 120.17 0.57 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 78.9 p -177.95 120.2 0.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -174.05 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -151.72 173.94 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.32 172.67 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 276' ' ' THR . 4.7 t -156.28 106.29 2.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.54 9.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.42 159.14 12.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.8 tt -169.87 132.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.79 147.75 41.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.0 p -158.18 135.03 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.87 174.32 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 285' ' ' PRO . 0.1 OUTLIER -167.06 134.23 1.95 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 284' ' ' GLU . 18.2 Cg_endo -74.98 174.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -151.79 91.52 3.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.52 18.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -139.07 178.8 6.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 175.89 159.01 20.96 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . 172.03 104.82 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -59.72 167.56 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 53.3 m -150.6 89.81 4.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.38 12.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -123.75 -136.04 4.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -159.19 158.37 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.796 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 10.9 t -115.54 149.68 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 298' ' ' PRO . 1.8 pp -123.93 144.67 45.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . 0.835 ' O ' HD12 ' A' ' 297' ' ' LEU . 18.3 Cg_endo -75.05 178.98 6.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -153.03 122.0 6.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 93.6 p -115.43 113.12 43.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 146.77 33.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 46.0 p -112.03 71.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.53 139.19 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 304' ' ' LEU . 9.2 tp 71.82 41.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.5 137.36 48.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -134.92 -171.01 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -170.8 177.35 43.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.18 37.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.3 p -104.91 105.75 52.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.02 146.37 32.5 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.4 Cg_endo -74.95 164.74 32.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.68 42.88 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.48 4.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 178.48 134.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -164.62 119.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.577 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 15.6 m -123.56 85.75 52.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.2 20.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 28.2 p -178.15 162.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 2.8 mttt 68.88 99.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.94 144.05 8.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 7.0 p -141.78 138.1 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -127.74 171.11 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 64.11 142.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 177.57 142.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.36 130.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 1.2 pt -139.19 171.79 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.88 159.86 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 89.1 p -175.48 169.24 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.3 pp -172.13 163.49 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.48 155.65 22.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -130.8 175.23 9.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -144.57 163.07 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 18.0 p -114.85 -169.31 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -117.67 174.71 6.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 337' ' ' PRO . 3.6 m -141.85 149.0 51.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 336' ' ' VAL . 18.3 Cg_endo -75.0 174.15 13.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -112.01 -30.72 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . 0.651 HG23 ' N ' ' A' ' 340' ' ' SER . 0.0 OUTLIER 53.51 -179.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . 0.651 ' N ' HG23 ' A' ' 339' ' ' ILE . 47.3 m -150.35 157.53 43.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 342' ' ' THR . 7.7 p -109.54 166.72 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . 0.409 ' N ' HG22 ' A' ' 341' ' ' VAL . 12.5 t -110.19 166.46 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 54.7 m -86.2 133.61 40.39 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -75.02 -37.05 2.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.19 172.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.957 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.7 111.25 0.86 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 179.36 6.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -116.64 -179.22 3.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.376 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -128.26 -49.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . 61.1 161.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 98.6 p -153.66 166.32 33.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -165.34 172.49 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 77.8 t 63.79 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -156.96 162.98 39.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -106.55 -179.24 23.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.29 -137.44 0.17 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 59.7 m -143.75 -63.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -175.34 165.11 2.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.36 2.05 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.464 1.771 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . 63.38 119.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -179.22 107.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 165.26 -162.26 35.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -131.86 155.92 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -141.96 101.58 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.488 ' N ' ' CD ' ' A' ' 366' ' ' PRO . 0.4 OUTLIER -57.48 -52.45 74.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.03 -81.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.446 1.761 . . . . 0.0 110.984 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 96.16 -81.48 0.78 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 127.34 21.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 25.6 m -107.06 -63.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.367 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -173.33 -65.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 64.35 173.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 5.2 t 69.82 125.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 177.64 134.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -169.32 174.25 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -168.97 143.36 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 33.2 p -172.42 142.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 12.7 p 174.88 179.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 34.3 t 61.55 140.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 4.6 pp -162.61 152.76 13.78 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 149.05 36.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -169.86 146.42 3.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 5.4 p -173.78 136.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 13.1 p -158.44 135.82 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 385' ' ' GLU . 8.3 p -158.47 169.45 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . 0.489 ' H ' HG22 ' A' ' 384' ' ' VAL . 40.8 tt0 -176.54 143.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -168.81 158.97 9.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -159.55 93.81 1.74 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.47 5.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -126.5 -65.42 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 18.7 m 60.25 76.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 6.3 p -172.71 120.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.91 125.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 164.78 63.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 50.9 p -130.24 161.15 31.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 3.2 p -103.39 -36.72 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 39.74 82.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -112.81 -168.31 17.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 102.48 144.1 14.05 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 42.8 t -121.3 -49.92 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -166.97 -59.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -174.6 76.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -87.41 -154.81 27.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.1 OUTLIER -116.34 140.36 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.78 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.02 -34.02 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.518 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 25.9 m-20 -75.43 156.81 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.21 158.3 34.2 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -75.03 136.91 20.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.05 139.08 23.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.75 -23.5 16.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 409' ' ' GLY . 16.3 t80 -35.67 149.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.1 mtt -112.14 -69.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 438' ' ' VAL . 19.2 p90 -154.83 179.62 8.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.733 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -103.75 142.22 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.475 HG13 HG23 ' A' ' 438' ' ' VAL . 3.1 m -124.26 164.36 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -131.33 122.15 25.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.645 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.45 153.4 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -122.19 -3.63 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.519 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.4 m-70 -148.69 170.12 18.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -106.27 101.66 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.887 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 0.8 OUTLIER -110.07 112.08 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.52 112.7 17.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.887 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -109.06 116.2 31.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.1 p -118.77 92.83 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.478 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 43.7 t0 -141.62 176.87 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.6 t -72.8 -3.33 24.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -175.58 56.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 472' ' ' VAL . 3.3 mm-40 -101.78 168.56 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.1 tp -118.24 113.86 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.654 ' C ' HD22 ' A' ' 430' ' ' LEU . 2.9 tt0 -84.73 138.22 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.974 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -130.63 145.94 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -126.5 129.03 47.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.21 105.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 91.31 49.96 2.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.486 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 39.4 t0 -113.32 170.72 8.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.733 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 2.6 m -119.31 128.37 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.974 ' CG2' HD11 ' A' ' 430' ' ' LEU . 4.7 t -137.06 144.88 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.661 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.03 133.31 52.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.78 HG21 ' CE1' ' A' ' 412' ' ' PHE . 54.2 t -82.06 117.94 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.78 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.35 151.83 75.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 117.25 4.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.75 -172.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -12.53 50.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.43 148.32 0.51 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -20.56 16.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.55 -21.54 60.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.4 -10.13 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.85 148.67 25.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 15.7 t0 -91.83 172.22 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.16 106.98 17.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 102.24 -7.87 54.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.611 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -122.41 135.45 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 472' ' ' VAL . 0.0 OUTLIER -119.01 168.3 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.2 OUTLIER -87.47 113.18 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 111.032 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.78 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.91 175.89 20.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.598 HG13 ' HG ' ' A' ' 437' ' ' LEU . 8.5 p -136.77 145.31 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -80.09 159.34 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.568 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.1 tt0 -57.73 -37.36 73.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -44.57 95.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.595 ' HB2' HG22 ' A' ' 455' ' ' VAL . 35.8 m-20 -59.7 -32.2 70.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.661 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 -51.13 -48.18 61.84 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -68.8 -25.97 64.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -86.72 19.04 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -44.92 -23.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.578 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -56.86 -30.19 63.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.01 45.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 467' ' ' GLU . 0.0 OUTLIER -68.77 -42.94 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.596 ' N ' HD23 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -60.52 -16.19 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 7.48 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -122.41 0.11 9.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -55.04 134.26 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.468 ' O ' ' HE2' ' A' ' 453' ' ' MET . . . -157.82 179.86 33.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.606 HG22 ' OE2' ' A' ' 427' ' ' GLU . 3.1 m -122.67 166.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 24.5 p90 -160.62 154.43 19.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.611 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.03 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 475' ' ' GLU . 1.6 tt0 -67.76 -29.5 68.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.692 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.2 m-20 -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.891 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -91.15 5.06 50.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.891 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -131.74 174.37 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.57 155.64 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 5.9 mtm-85 -89.24 140.33 29.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.479 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 43.0 t -110.28 119.2 47.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -96.73 -113.11 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 20.8 t -168.43 94.55 0.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.5 5.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -175.1 143.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -175.35 137.05 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 8.0 m -161.37 107.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.53 107.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.679 HD13 ' N ' ' A' ' 280' ' ' ARG . 0.1 OUTLIER -168.84 119.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.679 ' N ' HD13 ' A' ' 279' ' ' ILE . 0.1 OUTLIER -179.72 170.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 73.3 t 64.0 124.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 5.2 p30 178.48 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -171.01 174.9 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.92 103.5 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.39 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -179.34 71.1 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.73 17.75 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -175.76 174.63 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 150.16 151.39 5.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . 0.547 ' O ' ' HB2' ' A' ' 291' ' ' ALA . . . 149.93 149.51 5.02 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 290' ' ' GLY . . . 171.91 168.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 7.1 t -163.51 144.7 7.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -99.03 -151.84 27.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 296' ' ' THR . . . -178.96 170.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 295' ' ' ALA . 13.6 t 49.55 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.8 110.5 1.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? 77.17 103.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 31.0 p -103.69 138.08 19.43 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.92 39.12 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.803 . . . . 0.0 111.042 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 20.8 t -175.88 83.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.913 ' HG2' HG21 ' A' ' 425' ' ' THR . 0.0 OUTLIER -91.81 124.39 35.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . 0.427 ' C ' ' OD1' ' A' ' 424' ' ' ASP . 0.7 OUTLIER -162.91 68.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 306' ' ' LYS . 0.2 OUTLIER -102.31 114.16 28.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 305' ' ' ARG . 1.4 mmmt 167.18 164.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 150.24 161.28 9.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -74.95 142.28 27.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.1 Cg_endo -75.02 162.68 36.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' ' 476' ' ' ASN . 7.2 p -104.89 105.69 52.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.76 20.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 313' ' ' PRO . 18.2 Cg_endo -75.08 145.68 31.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.1 Cg_endo -75.02 162.03 37.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 62.27 5.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -110.98 -60.61 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.08 128.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 318' ' ' PRO . 2.6 m -138.3 130.93 16.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 317' ' ' THR . 18.3 Cg_endo -74.99 176.65 9.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 44.7 m -134.51 -73.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -161.47 140.81 10.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.81 -71.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 9.1 p -166.81 155.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 140.46 29.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.16 166.41 24.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 65.2 123.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.17 159.33 17.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.61 137.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.66 167.51 11.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 48.3 p -136.76 122.61 20.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 2.7 tt -174.03 67.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 331' ' ' PHE . 3.5 p90 -112.47 153.55 27.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -161.16 143.67 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -108.04 115.73 30.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.0 t -167.35 137.06 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.42 94.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 336' ' ' VAL . 7.1 p -126.06 100.35 30.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.05 17.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.453 1.765 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.5 126.9 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 339' ' ' ILE . 5.4 tp -174.02 113.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 90.6 p -98.89 134.1 42.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 28.3 m -124.25 165.72 20.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 11.5 t -166.73 156.35 11.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 343' ' ' THR . 9.0 t -162.43 92.94 1.27 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.406 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.12 34.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -178.53 125.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -164.1 114.8 0.96 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.79 3.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -157.24 149.38 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -169.95 116.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -164.27 148.2 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.26 142.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -174.72 118.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 8.5 p -172.94 158.69 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -125.09 163.91 21.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -128.46 -162.59 11.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -174.14 -85.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 8.8 t -43.48 151.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 64.37 92.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.23 25.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -115.92 167.88 10.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -127.05 159.8 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -129.91 -171.48 12.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -141.91 169.33 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.41 166.89 21.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -167.86 120.83 0.74 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.12 6.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 134.09 137.52 3.83 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.53 113.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 3.9 m -149.65 152.77 35.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.383 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -121.02 -63.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 61.92 114.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.81 134.66 3.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.94 126.74 9.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -125.61 169.68 12.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -135.92 -60.74 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 3.9 m 63.29 111.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 17.8 p -174.73 127.38 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 23.3 p -146.28 -72.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.7 65.84 0.63 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 167.68 26.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -167.52 36.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 384' ' ' VAL . 37.5 t -85.95 149.69 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.1 m -136.94 39.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.515 ' H ' HG12 ' A' ' 382' ' ' VAL . 6.1 t -88.75 146.97 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.01 96.44 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . 0.417 HG23 HG12 ' A' ' 384' ' ' VAL . 19.4 p -94.93 -169.83 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.586 ' O ' ' CD2' ' A' ' 387' ' ' PHE . 32.5 p90 -165.3 93.14 0.89 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.02 21.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -171.82 96.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 4.5 m -110.64 148.07 32.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.33 104.09 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -100.53 167.11 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 130.95 149.02 6.4 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 395' ' ' VAL . 7.8 t -137.87 -49.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.439 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.447 ' N ' HG23 ' A' ' 394' ' ' THR . 77.5 t 62.65 128.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -150.98 153.16 34.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -164.54 90.52 0.1 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -93.07 140.77 15.22 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 93.0 p 51.54 177.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -152.27 173.24 31.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -140.16 147.83 40.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 123.76 -177.61 16.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.646 ' H ' ' NE ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -82.23 -171.58 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.333 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 -41.83 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -111.49 154.2 25.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.76 159.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.98 133.86 17.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.05 142.87 28.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.452 1.764 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.72 -22.84 15.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.4 t80 -36.59 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 0.784 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.5 mtt -115.19 -72.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.577 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 20.7 p90 -159.39 173.41 16.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.662 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -95.87 143.42 27.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.579 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.4 m -127.62 164.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -129.56 126.38 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.765 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -70.21 151.92 44.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -120.29 -3.12 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.516 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.0 m-70 -145.94 170.86 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.555 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -108.31 105.82 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.873 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -113.27 117.15 31.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 7.1 m -86.56 113.01 22.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.873 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -106.34 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 45.2 p -115.14 90.78 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 304' ' ' LEU . 38.4 t70 -145.08 176.59 9.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.913 HG21 ' HG2' ' A' ' 303' ' ' GLN . 15.2 t -85.76 13.49 7.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 176.84 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.503 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.2 OUTLIER -120.47 172.4 7.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.581 HD13 ' HA3' ' A' ' 471' ' ' GLY . 2.3 tp -122.19 113.14 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.408 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.1 tt0 -82.93 123.28 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.918 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -112.06 149.12 32.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.6 131.39 46.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.333 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.0 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 94.27 49.47 2.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.546 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.6 t0 -111.45 170.24 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.662 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 1.6 m -119.27 123.39 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 430' ' ' LEU . 2.3 t -135.66 142.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -106.11 132.34 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.579 HG23 ' CG1' ' A' ' 414' ' ' VAL . 69.7 t -82.0 115.94 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.755 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -125.54 152.11 71.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.22 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -25.18 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -167.25 148.84 5.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.3 Cg_endo -75.02 -18.07 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -19.35 61.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -94.07 -6.52 44.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.01 150.11 21.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 24.0 t0 -98.47 171.05 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -83.38 108.5 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.48 -8.37 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.71 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.4 OUTLIER -123.46 135.48 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.71 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -122.73 170.9 9.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.7 ttm -86.68 113.19 22.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.755 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.54 172.28 21.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.3 p -136.17 144.99 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 109.268 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -76.43 160.76 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 435' ' ' VAL . 10.0 tt0 -59.26 -41.54 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -43.69 98.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.61 ' HB2' HG22 ' A' ' 455' ' ' VAL . 27.5 m-20 -59.78 -34.13 72.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.513 ' HB2' HD11 ' A' ' 437' ' ' LEU . 5.2 t90 -52.7 -43.14 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . 0.508 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 1.1 m120 -53.82 -26.59 24.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.457 ' C ' ' N ' ' A' ' 464' ' ' LYS . 39.8 mm-40 -96.37 19.5 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -44.74 -22.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.546 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 462' ' ' GLN . 11.9 tttm -57.14 -29.67 63.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -149.35 52.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -32.08 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -18.4 7.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -106.04 7.7 31.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.8 7.88 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -61.61 152.19 31.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.581 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -161.67 -179.58 36.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -129.48 158.95 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.24 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 16.4 p90 -164.33 157.02 14.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 118.1 5.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.81 -31.74 70.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.698 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -65.93 -30.94 71.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.934 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -84.01 3.74 33.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.934 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -131.0 176.92 7.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -132.2 144.68 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.577 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.0 mtt180 -78.65 139.47 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.518 HG23 ' HA ' ' A' ' 414' ' ' VAL . 40.0 t -114.01 117.41 43.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 110.968 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 72.85 61.7 3.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 26.0 t -169.06 128.56 0.96 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.793 . . . . 0.0 109.959 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -146.17 177.87 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -156.67 174.29 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 277' ' ' PRO . 37.4 p -146.0 144.29 21.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 276' ' ' THR . 18.4 Cg_endo -74.97 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.59 167.49 22.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 3.5 tp -142.68 137.18 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -119.01 170.96 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 9.7 p -144.22 166.45 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -148.05 174.65 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -141.7 178.11 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -143.19 146.55 37.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -171.01 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -138.59 149.02 61.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -174.77 2.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -148.18 178.98 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -133.39 -167.58 11.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -155.18 -155.66 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -157.28 -178.86 7.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 7.7 t -148.14 145.76 21.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -75.04 -169.61 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -125.46 -148.69 7.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -165.21 154.42 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 20.1 p -118.76 -172.71 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 298' ' ' PRO . 3.2 pp -151.11 127.82 5.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 297' ' ' LEU . 18.1 Cg_endo -75.04 -171.56 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 170.85 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 5.2 m -121.04 136.73 25.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.939 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.0 42.87 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.777 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 2.1 m -125.28 110.4 13.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.8 159.85 14.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 69.43 104.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -103.18 151.54 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.79 166.26 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -171.17 149.91 12.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.64 33.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.624 HG13 ' HB2' ' A' ' 476' ' ' ASN . 2.4 p -106.1 104.53 50.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -74.99 146.11 32.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.4 Cg_endo -74.91 155.67 43.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.575 1.829 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.3 Cg_endo -74.97 149.64 37.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.791 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.5 Cg_endo -74.99 65.55 6.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -154.12 93.25 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 60.81 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.572 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 3.4 m -45.98 117.33 3.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 155.3 42.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 49.4 m -149.61 164.15 35.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.75 102.63 14.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.01 167.58 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 69.0 t 62.82 122.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -147.55 155.76 42.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -163.33 163.36 25.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.46 129.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -179.68 109.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 14.4 tt -170.11 165.52 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.4 tt -143.87 151.03 39.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 87.8 p -116.44 170.0 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.61 172.06 16.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -165.53 175.38 9.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -176.54 165.96 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 176.82 170.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.3 t -157.14 158.88 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -151.02 -179.38 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 337' ' ' PRO . 36.0 m -139.56 149.63 60.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 336' ' ' VAL . 18.4 Cg_endo -74.99 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.7 148.36 27.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.7 127.13 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 75.3 m -105.25 -177.2 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 8.4 p -128.28 159.92 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 42.4 p -75.27 -177.11 3.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 0.8 OUTLIER -149.08 137.91 12.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -75.0 162.48 37.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.08 156.99 21.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.56 159.85 29.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.93 11.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.035 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -168.62 -177.09 2.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 350' ' ' ALA . 1.8 mt-10 69.07 167.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 349' ' ' GLU . . . 70.96 73.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 17.0 t 174.94 84.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -123.39 108.5 12.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.237 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 24.1 t 63.02 143.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -91.27 -62.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 111.61 168.8 18.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -88.01 91.83 1.76 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . 0.898 ' OG1' ' HB3' ' A' ' 360' ' ' ALA . 12.0 p -138.61 117.52 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.408 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . 0.542 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 2.1 tp60 -58.21 -49.23 94.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 358' ' ' GLN . 18.3 Cg_endo -75.01 -70.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . 0.898 ' HB3' ' OG1' ' A' ' 357' ' ' THR . . . -40.61 146.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -120.35 -173.72 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -82.12 -74.23 1.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 65.01 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -136.11 162.89 31.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.38 118.64 26.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -113.39 -150.21 10.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.34 140.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.74 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 1.8 m -132.04 118.99 20.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 371' ' ' ALA . . . -65.21 -67.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 370' ' ' ALA . . . 67.22 144.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.72 131.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -173.16 145.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -164.05 172.31 13.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -176.61 174.28 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.92 165.32 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 3.6 t -165.54 139.88 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 57.7 p 177.78 129.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.027 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.46 89.34 0.29 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.97 30.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -169.25 120.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 9.9 p -174.18 147.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.6 134.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 10.3 p -170.84 143.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -163.84 117.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 43.3 m -151.39 145.86 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -171.51 94.19 0.42 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.19 37.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -140.63 97.46 3.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.8 t -149.82 134.75 17.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 391' ' ' VAL . 10.9 p -167.82 119.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.68 164.44 30.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 139.4 91.46 0.22 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 31.9 p -103.3 87.24 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 110.34 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 11.1 p -163.85 157.31 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -171.64 -60.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 97.18 -117.45 5.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 82.91 155.58 18.78 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 21.8 m -88.28 -58.93 2.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 164.87 122.44 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 59.7 157.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -135.41 -172.47 12.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.534 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -78.67 179.28 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.04 -39.17 3.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.469 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 7.3 m-20 -111.15 154.69 23.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.67 160.33 56.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.0 135.68 19.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.94 143.63 29.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.0 -24.22 9.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.9 t80 -36.23 154.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.24 -67.26 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 38.1 p90 -161.43 177.78 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.757 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -97.92 151.0 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.552 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -132.72 166.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 4.3 tp60 -134.07 118.97 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.828 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -63.97 157.36 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -124.8 -3.41 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.542 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 83.4 m-70 -144.97 170.81 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.604 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 13.7 t70 -109.37 102.29 11.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.97 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -115.81 108.55 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.6 112.88 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.97 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.81 114.98 27.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 15.3 p -121.22 93.7 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 427' ' ' GLU . 26.2 t0 -141.2 -178.19 5.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.523 HG23 ' OD2' ' A' ' 426' ' ' ASP . 15.1 t -77.51 -5.06 48.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 425' ' ' THR . 9.7 m-20 -164.71 43.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.523 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -97.67 165.92 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.547 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -127.43 113.25 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.604 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.1 tt0 -76.44 137.16 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.929 HD11 HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -130.38 142.79 50.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.468 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.36 132.37 53.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.79 98.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.11 47.13 1.92 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.497 ' OD2' HD13 ' A' ' 430' ' ' LEU . 23.9 t70 -109.1 166.89 10.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.445 HG12 ' HE3' ' A' ' 413' ' ' LYS . 1.9 m -116.4 122.74 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.929 HG21 HD11 ' A' ' 430' ' ' LEU . 2.6 t -134.58 146.2 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 437' ' ' LEU . 0.0 OUTLIER -106.43 132.46 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.552 HG23 ' CG1' ' A' ' 414' ' ' VAL . 20.4 t -81.82 113.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.739 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.91 153.06 63.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.93 -176.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 111.021 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.0 -34.54 32.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -154.26 144.55 15.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.91 18.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.15 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -92.96 -16.91 24.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -71.96 144.66 48.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -95.34 171.2 8.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 99.4 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.49 -3.44 34.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.639 ' C ' HD23 ' A' ' 452' ' ' LEU . 1.3 m95 -124.22 146.46 48.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -134.01 169.67 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -87.71 112.12 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.739 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.23 165.75 23.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.737 HG22 ' HB2' ' A' ' 459' ' ' ASP . 7.2 p -129.89 143.82 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.281 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.41 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 2.1 mtmp? -76.98 159.77 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.434 ' HB3' HG23 ' A' ' 435' ' ' VAL . 2.3 tt0 -58.14 -40.57 81.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.737 ' HB2' HG22 ' A' ' 455' ' ' VAL . 60.4 m-20 -65.07 -32.4 74.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.564 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.1 t90 -50.74 -48.48 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -54.2 -25.36 22.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.551 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -91.22 16.92 8.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -45.32 -21.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.462 ' N ' ' C ' ' A' ' 462' ' ' GLN . 3.5 tttt -57.98 -35.0 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.84 53.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.6 OUTLIER -71.84 -30.94 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.487 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 0.4 OUTLIER -54.6 -20.91 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.01 7.59 44.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.89 11.18 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 108.283 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.487 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 1.4 mtt180 -61.08 156.44 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.547 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -165.23 179.01 39.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -126.97 162.17 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.475 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 19.2 p90 -163.1 155.06 15.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 119.38 5.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -68.04 -35.95 79.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.624 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.3 OUTLIER -63.57 -26.17 68.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.943 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -87.94 1.55 53.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.943 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -132.17 177.67 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.41 145.46 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -77.81 141.18 39.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.757 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 77.7 t -112.69 116.77 47.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 112.91 130.59 5.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.61 108.34 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 0.805 . . . . 0.0 109.997 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -173.35 171.16 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -166.44 153.33 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.04 110.15 3.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -163.22 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.61 142.83 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.03 -172.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 174.08 149.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 3.9 p -166.2 132.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -142.09 165.41 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.69 179.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.3 117.54 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -168.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -163.89 110.98 0.94 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.2 Cg_endo -74.96 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 179.78 170.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -179.83 -178.77 48.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -176.24 -177.07 44.96 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -176.04 177.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 292' ' ' THR . 10.0 t -172.2 110.51 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.71 2.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -173.25 174.28 45.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -176.8 174.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . 0.605 ' O ' HD12 ' A' ' 297' ' ' LEU . 13.9 t -171.91 172.83 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 296' ' ' THR . 0.0 OUTLIER -173.6 116.43 0.36 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 299' ' ' LYS . 18.3 Cg_endo -74.99 -76.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 298' ' ' PRO . 0.0 OUTLIER 81.87 106.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 57.0 p -120.8 108.96 36.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 157.16 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.53 -53.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.884 ' HG3' HG21 ' A' ' 425' ' ' THR . 3.2 tt0 -59.65 121.98 12.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . 0.469 ' O ' ' OD2' ' A' ' 424' ' ' ASP . 13.7 tp -172.67 84.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -93.28 117.48 30.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 175.92 174.39 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 152.15 155.14 6.91 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo -75.0 145.43 31.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.4 Cg_endo -74.98 161.79 38.26 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.6 p -114.25 104.67 54.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.01 143.63 29.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.2 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 69.67 5.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.46 109.18 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.01 45.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 318' ' ' PRO . 0.7 OUTLIER -50.09 -51.29 63.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.45 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 317' ' ' THR . 18.3 Cg_endo -75.01 -174.2 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 6.9 t 66.05 120.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.79 -76.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 322' ' ' VAL . 2.3 mt-10 179.42 175.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 321' ' ' GLU . 75.8 t -156.91 146.68 11.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -168.52 -175.1 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.14 121.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.37 121.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.26 113.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . 0.416 ' O ' HD12 ' A' ' 328' ' ' LEU . 1.1 pt -104.03 162.27 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 327' ' ' ILE . 0.2 OUTLIER -176.02 162.28 2.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . 0.538 ' O ' HD22 ' A' ' 330' ' ' LEU . 0.1 OUTLIER -179.55 148.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 329' ' ' SER . 0.3 OUTLIER -150.0 133.02 16.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -118.05 173.54 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.21 159.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -149.92 161.5 42.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.5 t -167.95 154.84 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -135.01 148.72 50.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 12.2 t -131.99 127.99 21.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.98 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -158.34 158.47 34.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.95 121.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.57 161.42 28.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.057 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 8.9 p -165.89 152.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 9.0 t -168.39 163.08 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.47 145.64 11.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 19.6 p 176.14 144.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -146.34 142.48 17.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -171.23 161.58 6.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.08 171.62 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -170.84 176.63 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.318 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.09 168.26 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.49 165.12 37.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.312 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 79.0 t -136.8 147.97 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -157.54 134.0 9.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -114.76 83.37 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -172.95 -139.55 2.89 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 8.7 t -41.93 134.82 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -52.43 150.03 9.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -172.23 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.428 1.752 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -175.68 52.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -135.68 95.23 3.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -141.07 105.94 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -170.71 152.25 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -142.28 -62.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.92 76.7 0.48 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -179.5 5.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 369' ' ' THR . . . 153.68 -121.35 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.098 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 369' ' ' THR . 54.0 mt-10 67.82 -64.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 367' ' ' GLY . 70.6 p 41.45 -163.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 369' ' ' THR . . . 179.24 164.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -176.5 139.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.0 m -172.63 173.25 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.35 166.56 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -153.93 172.32 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -173.54 158.49 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 88.4 p -171.62 161.36 6.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 2.6 t -177.5 128.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.52 143.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.8 90.51 0.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -147.66 134.48 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 46.4 t -129.97 144.12 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.26 150.58 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 7.7 p -165.95 147.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -165.07 165.32 20.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 20.3 m 63.92 153.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -161.56 99.16 1.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -172.18 106.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 17.2 m -152.96 117.52 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 32.6 m -91.45 143.1 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -146.08 144.31 29.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -72.71 171.53 49.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 37.2 m -100.92 117.14 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.349 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.5 82.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.73 -60.71 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 112.42 -64.66 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 64.74 -134.93 38.04 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.32 78.29 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -88.62 -133.89 4.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -165.69 98.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.29 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -168.06 -177.03 39.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.407 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -73.95 -179.81 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 110.331 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.33 -38.13 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.424 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 6.1 m-20 -114.74 155.44 26.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.99 161.22 53.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -75.04 136.5 20.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.99 142.25 27.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.794 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.15 -22.82 17.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.5 t80 -35.82 147.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.478 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.2 mtt -106.28 -69.36 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 36.7 p90 -160.08 176.51 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.571 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.2 OUTLIER -91.23 145.24 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.0 m -132.71 161.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.558 ' N ' HG23 ' A' ' 481' ' ' VAL . 2.3 tp60 -134.66 126.53 29.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.767 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -67.56 155.3 39.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.04 -1.92 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 90.0 m-70 -148.35 170.15 18.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 419' ' ' ASP . 9.8 p-10 -108.66 102.04 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.835 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -113.83 115.87 28.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -82.62 115.01 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.835 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -110.86 117.07 32.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 39.1 p -118.79 94.2 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.469 ' OD2' ' O ' ' A' ' 304' ' ' LEU . 0.5 OUTLIER -141.61 -175.64 4.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.884 HG21 ' HG3' ' A' ' 303' ' ' GLN . 11.1 t -77.62 -13.97 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -163.12 53.3 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.482 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 1.9 mm-40 -97.62 171.47 8.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.711 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -126.57 114.46 18.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.736 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.0 tt0 -81.59 139.23 35.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.976 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -130.22 142.91 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' CE ' ' OD2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -123.76 129.91 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.25 99.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.41 49.82 1.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.474 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 6.9 t0 -112.7 168.63 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.557 HG23 ' CB ' ' A' ' 457' ' ' GLU . 1.6 m -118.57 125.37 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.976 HG21 HD11 ' A' ' 430' ' ' LEU . 90.2 t -136.75 146.17 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.598 HD22 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.57 127.21 55.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.624 HG23 ' CG1' ' A' ' 414' ' ' VAL . 38.3 t -74.42 120.97 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.687 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.56 153.24 80.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.22 -173.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.57 -33.04 42.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -158.45 147.45 14.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -22.57 14.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -72.71 -16.66 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -90.97 -14.49 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.485 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -85.41 149.35 25.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -99.04 172.56 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.64 113.93 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 98.43 -10.37 63.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.886 ' C ' HD23 ' A' ' 452' ' ' LEU . 4.1 m95 -117.82 149.75 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.886 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -140.38 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.474 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.5 OUTLIER -90.69 112.83 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.687 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -136.69 159.03 24.39 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.971 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.1 p -121.89 142.42 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.71 . . . . 0.0 109.303 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.503 ' HG3' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -73.5 165.97 24.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.557 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.4 tt0 -61.21 -43.28 99.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -41.59 78.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.971 ' HB2' HG22 ' A' ' 455' ' ' VAL . 34.0 m-20 -67.13 -31.13 71.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.598 ' CE3' HD22 ' A' ' 437' ' ' LEU . 3.7 t90 -50.41 -48.01 56.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 107.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -57.22 -25.26 58.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.468 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -87.54 17.46 4.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.468 ' HA ' HD22 ' A' ' 466' ' ' LEU . 4.1 t60 -43.13 -24.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.468 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.7 OUTLIER -59.79 -46.34 89.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -139.02 42.4 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -69.59 -29.58 67.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.01 -19.48 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -103.56 7.17 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.47 4.18 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 156.47 27.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.711 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -161.27 177.35 37.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.1 t -112.88 157.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -163.99 152.3 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.564 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -68.11 -30.95 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.69 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.8 OUTLIER -67.55 -26.65 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.898 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -88.78 3.91 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.898 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.7 p -131.06 -179.98 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -135.93 158.5 44.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.3 mtm180 -84.57 139.72 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 415' ' ' GLN . 95.9 t -112.52 116.06 48.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . -105.93 -103.86 2.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.21 117.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.971 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -154.58 -178.66 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -158.9 -178.77 7.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.9 t -171.76 118.23 0.44 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -166.21 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.47 147.19 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.7 pp -118.42 149.34 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 136.0 23.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 13.0 p -123.69 158.43 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.56 178.97 8.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -163.56 -176.08 4.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.68 137.94 5.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.43 137.33 11.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -166.78 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -165.3 177.84 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -159.12 -175.54 30.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -160.83 -163.03 13.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -171.36 162.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 293' ' ' PRO . 1.1 m -141.58 133.01 13.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 292' ' ' THR . 18.3 Cg_endo -74.96 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -151.7 -167.91 15.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -161.67 118.96 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 6.3 p -87.5 -178.88 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.37 98.32 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 299' ' ' LYS . 18.3 Cg_endo -75.05 -70.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.526 1.803 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 298' ' ' PRO . 7.2 tttt 86.89 135.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 59.1 p -121.23 111.56 33.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 149.3 36.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 3.2 m -107.74 95.2 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.429 ' HB3' HG21 ' A' ' 425' ' ' THR . 56.9 mt-30 -98.55 153.29 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 77.39 64.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -93.66 151.05 19.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.7 158.39 44.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -140.8 -176.0 15.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo -75.01 152.09 40.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.96 161.91 38.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.761 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.7 p -106.53 105.84 55.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 312' ' ' PRO . 18.4 Cg_endo -74.99 141.6 26.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 311' ' ' PRO . 18.3 Cg_endo -75.0 142.26 27.64 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.3 Cg_endo -74.96 164.76 32.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.7 5.24 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -62.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 7.4 m80 65.14 170.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 317' ' ' THR . 3.6 m 59.2 74.69 0.56 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.88 4.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 10.7 t -129.76 142.82 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -163.48 178.76 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.18 171.87 9.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 2.8 p -156.36 150.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.46 119.87 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -145.62 163.47 34.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.17 169.66 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 178.55 133.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 2.4 tt -171.17 150.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 109.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 2.8 tt -179.56 132.13 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.9 t -148.76 162.43 39.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.6 pp -175.02 149.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -168.27 166.19 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.54 173.28 5.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.69 158.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 11.2 t -170.6 155.18 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.82 179.09 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.557 ' O ' HG13 ' A' ' 336' ' ' VAL . 10.7 p -174.26 106.8 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -175.31 153.45 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 339' ' ' ILE . 2.8 tp -168.63 109.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 90.9 p -120.88 123.23 42.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.57 167.26 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 10.0 t -168.71 162.02 11.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 0.6 OUTLIER -148.02 139.74 14.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.1 Cg_endo -74.98 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.435 1.755 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 97.0 p -160.57 163.34 32.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.7 123.97 13.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -169.87 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -139.57 157.09 46.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.44 164.09 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -156.76 172.64 18.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.17 172.03 4.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.45 149.27 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.22 172.19 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . 64.63 138.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -137.47 -115.77 1.42 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 146.42 71.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 72.6 p 43.23 -163.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.68 92.76 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 155.88 42.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -97.37 163.76 12.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -134.34 141.04 46.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . -108.22 178.78 21.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -150.44 155.21 39.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 0.744 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.17 165.89 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -167.8 94.15 0.64 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.78 25.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -154.69 107.06 0.31 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.64 135.01 36.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.734 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 17.4 m -154.56 133.66 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -121.3 165.77 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -140.69 121.9 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.1 128.88 46.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 178.55 109.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -145.94 154.91 42.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -171.22 131.96 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 7.6 t -148.54 148.73 30.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 13.7 t -168.06 154.49 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 8.5 t -174.29 124.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 2.1 tt -147.85 97.23 3.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -149.7 140.34 22.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.86 154.06 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.39 147.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 8.5 p -155.83 157.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.38 149.26 51.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 93.8 m -145.01 135.58 24.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 387' ' ' PHE . 9.6 p90 -114.88 122.52 33.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 111.041 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 172.9 15.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -119.44 155.27 32.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 14.9 t -108.83 140.84 41.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.86 106.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -82.94 120.65 25.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . -110.72 -75.45 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 76.5 p -146.87 130.57 16.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 9.1 p -96.11 -13.0 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -177.6 114.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . 172.9 -154.58 21.1 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 150.11 -166.88 30.03 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.55 -55.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 152.14 159.29 8.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -85.13 -63.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.407 ' CA ' ' OD1' ' A' ' 461' ' ' ASN . . . 65.89 163.63 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.467 ' NE ' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -37.7 148.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.7 -16.2 25.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.467 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . 2.1 m-20 -99.13 148.65 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 159.97 28.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.558 ' HA ' ' CE1' ' A' ' 463' ' ' HIS . 18.4 Cg_endo -74.99 134.57 17.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 143.62 29.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.32 -19.64 34.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.5 t80 -37.04 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 111.013 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.29 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 21.9 p90 -158.6 -179.72 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.579 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.4 OUTLIER -100.84 143.51 30.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.571 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -124.23 166.85 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 6.8 tp60 -134.26 121.82 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.643 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -65.01 154.07 38.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -124.41 -1.11 8.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.499 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.8 m-70 -148.75 169.78 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 18.6 t70 -107.81 104.38 13.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.796 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.1 t80 -114.22 109.87 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.8 m -79.99 113.82 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.796 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -106.5 117.77 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 6.1 p -116.34 92.24 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -143.56 -174.61 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 303' ' ' GLN . 15.1 t -91.6 7.7 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.362 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -178.63 59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.1 OUTLIER -116.51 171.69 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 471' ' ' GLY . 2.4 tp -122.73 113.28 18.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.528 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.2 tt0 -80.87 135.75 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.003 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -127.58 146.34 50.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.29 125.66 37.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -29.99 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.91 50.83 1.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.587 ' HB3' HD12 ' A' ' 430' ' ' LEU . 3.7 t0 -113.3 166.91 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.579 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.4 OUTLIER -119.52 121.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.003 ' CG2' HD11 ' A' ' 430' ' ' LEU . 9.9 t -131.46 147.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.748 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.12 124.27 50.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.571 HG23 ' CG1' ' A' ' 414' ' ' VAL . 11.7 t -74.32 117.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.768 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -127.4 151.82 75.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.041 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.95 -173.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -83.17 -14.26 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.401 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -179.24 149.77 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.401 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.1 Cg_endo -75.04 -21.65 15.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.83 -20.47 61.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.96 -11.22 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -87.75 149.15 24.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -96.32 168.21 10.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.72 109.81 16.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.2 -2.5 56.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.9 OUTLIER -129.89 143.04 50.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -130.09 171.22 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.45 113.68 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.53 165.6 24.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.761 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.0 p -125.5 143.62 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -77.87 160.44 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.487 ' HB3' HG23 ' A' ' 435' ' ' VAL . 1.9 tt0 -58.22 -43.64 87.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.362 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -38.77 83.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.761 ' HB2' HG22 ' A' ' 455' ' ' VAL . 81.0 m-20 -63.31 -33.8 76.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.616 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 -53.5 -48.47 68.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . 0.407 ' OD1' ' CA ' ' A' ' 402' ' ' GLY . 31.3 m-80 -53.94 -26.14 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 6.6 mm-40 -108.53 19.84 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 407' ' ' PRO . 5.4 t60 -46.24 -21.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 5.7 ttpt -57.82 -30.37 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.0 42.5 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.413 HD22 ' CE1' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.32 -18.5 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -115.38 5.86 14.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 22.3 m -109.94 -20.53 12.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 128.79 28.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -149.6 179.82 26.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.79 153.62 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -161.74 151.42 13.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 120.3 6.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.782 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.59 81.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.761 ' HB2' HG13 ' A' ' 310' ' ' VAL . 1.1 m-20 -61.34 -24.88 66.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.861 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -89.06 2.52 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.861 HG23 ' CD1' ' A' ' 477' ' ' PHE . 2.4 p -132.38 178.18 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -133.15 147.43 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.53 138.19 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 73.9 t -109.04 122.72 39.0 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 144.66 131.29 2.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.07 109.23 0.2 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.56 0.8 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -157.38 -173.22 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -165.42 -179.01 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 276' ' ' THR . 8.0 t -161.38 107.41 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.75 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.19 158.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -170.16 142.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.45 168.8 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 8.9 p -174.67 144.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -151.29 162.17 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -177.97 162.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.616 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -154.44 143.66 15.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.86 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -176.21 97.19 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.465 ' O ' ' HB2' ' A' ' 288' ' ' ALA . 18.3 Cg_endo -74.99 -173.58 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.433 1.754 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 287' ' ' PRO . . . 177.4 173.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . 177.33 -179.08 48.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 291' ' ' ALA . . . 177.15 172.72 42.02 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 290' ' ' GLY . . . 178.94 132.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 6.3 p -113.8 129.78 24.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . 157.86 146.71 4.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -177.05 129.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 8.7 p -105.43 -179.09 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 178.73 83.67 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.03 6.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.8 140.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 61.4 p -119.48 106.55 42.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 154.52 42.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.78 34.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . 0.508 ' HB2' HG21 ' A' ' 425' ' ' THR . 0.6 OUTLIER -83.35 161.19 21.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . 17.0 mt 67.09 86.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.03 151.21 22.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.68 161.48 37.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . -152.03 -171.47 19.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.3 Cg_endo -75.03 143.41 28.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.4 Cg_endo -74.95 162.55 37.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.772 HG13 ' HB2' ' A' ' 476' ' ' ASN . 12.4 p -103.4 106.71 52.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 134.36 17.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 313' ' ' PRO . 18.4 Cg_endo -75.02 149.17 36.22 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 312' ' ' PRO . 18.2 Cg_endo -75.03 166.0 30.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.776 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -145.24 132.18 20.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -156.44 -65.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . . . . . . . . . 14.1 p -83.42 156.6 65.7 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 1.8 t -162.9 152.47 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mptt 70.77 105.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.56 105.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 8.3 p -168.9 142.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -81.84 -177.61 6.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -171.21 175.6 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.39 155.33 41.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.348 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -176.16 3.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . 0.579 ' O ' HD12 ' A' ' 328' ' ' LEU . 7.6 tt -156.56 170.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.218 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 327' ' ' ILE . 7.5 mp -128.36 173.67 9.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 25.9 p -164.72 102.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 330' ' ' LEU . 2.1 mm? -85.03 162.56 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -159.79 167.66 27.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -174.84 140.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -159.68 163.34 34.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 11.8 t -173.29 171.64 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -171.88 152.39 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 336' ' ' VAL . 9.8 p -168.98 96.99 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -174.54 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.95 175.71 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 339' ' ' ILE . 0.4 OUTLIER 79.95 114.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 12.3 p -110.9 179.18 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.02 174.21 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . . . . . . . . . 10.4 t -124.43 136.51 54.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 344' ' ' PRO . 9.5 t -69.14 145.3 96.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 343' ' ' THR . 18.3 Cg_endo -74.99 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . . . . . . . . . 12.3 m -146.61 172.32 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 66.08 92.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . 0.551 ' O ' ' HB3' ' A' ' 348' ' ' ALA . 18.4 Cg_endo -74.91 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 347' ' ' PRO . . . 75.01 159.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.89 175.52 6.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -177.75 -173.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 353' ' ' VAL . 1.5 m -55.64 140.69 40.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.993 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -28.22 31.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 351' ' ' SER . 54.6 t 60.56 163.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 353' ' ' VAL . . . -136.71 152.28 50.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . 176.8 -173.6 46.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -167.72 160.69 34.37 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . . . . . . . . . 10.9 p -143.88 -146.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . 0.448 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 1.1 mt-30 168.06 -54.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 358' ' ' GLN . 18.4 Cg_endo -74.98 169.17 23.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -143.58 -68.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -162.22 170.41 19.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 176.18 -179.79 47.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 65.44 123.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -172.42 124.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -175.07 100.64 0.26 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.26 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -175.13 176.07 47.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -154.83 -48.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 72.1 p 42.5 87.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -53.84 175.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -151.32 158.17 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.2 m -157.88 170.11 23.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 110.053 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -130.45 -60.58 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . 60.07 100.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -104.38 169.04 8.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.44 147.88 25.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.967 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 21.6 m -93.57 168.25 11.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.001 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . . . . . . . . . 10.5 p -136.17 -63.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.45 92.55 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 381' ' ' ALA . 18.2 Cg_endo -75.04 -33.44 4.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 380' ' ' PRO . . . 60.09 115.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.42 138.17 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 383' ' ' VAL . 10.1 m -106.7 65.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 383' ' ' VAL . 13.4 m 41.5 -161.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.48 171.27 13.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 8.9 t -103.46 171.99 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 177.53 100.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.958 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.04 17.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -127.76 173.28 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 9.6 t -151.91 170.66 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.397 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 13.4 m -115.69 147.15 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.21 -55.86 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 66.38 178.55 9.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 54.7 m 63.48 74.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 110.37 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 395' ' ' VAL . 13.6 m -71.37 73.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -176.34 124.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -52.73 154.81 5.65 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -110.61 -163.23 18.6 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 3.6 m -130.87 90.29 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.675 ' O ' ' HB3' ' A' ' 401' ' ' ALA . . . -171.62 -109.63 0.23 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 400' ' ' GLY . . . 83.65 -65.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.754 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 145.5 -170.24 26.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.573 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -62.72 -171.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.8 pt? -124.44 -42.27 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -116.28 155.88 27.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.61 160.13 48.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.6 18.07 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.97 137.29 21.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 91.68 -19.8 45.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.33 153.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.483 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.7 mtt -112.71 -73.98 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 13.5 p90 -160.22 179.92 8.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.595 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -98.04 144.23 27.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.888 HG22 ' O ' ' A' ' 436' ' ' VAL . 5.8 m -125.02 167.11 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 31.2 tp60 -131.07 122.64 27.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.894 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -70.41 151.65 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -120.73 -4.4 9.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.526 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 90.3 m-70 -149.46 169.36 21.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.554 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 9.9 p-10 -103.73 102.56 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.2 t80 -108.35 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 26.9 m -74.96 112.7 11.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.09 117.15 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 18.2 p -119.32 93.06 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.436 ' HB3' ' OE1' ' A' ' 427' ' ' GLU . 9.5 t70 -139.58 -176.9 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 303' ' ' GLN . 6.2 t -74.41 -9.77 58.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -167.89 52.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.707 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -98.19 162.3 13.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.625 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -116.74 114.87 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.93 135.45 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.894 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.03 144.09 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -121.91 135.47 54.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.81 108.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 90.59 43.49 4.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.536 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 26.9 t0 -109.3 170.23 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.595 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.7 OUTLIER -118.49 127.55 75.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.888 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.0 t -136.68 139.0 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.767 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -100.91 133.74 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.483 HG12 ' SD ' ' A' ' 411' ' ' MET . 13.4 t -84.82 112.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.738 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -120.23 153.74 55.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.88 4.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.564 1.823 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -57.47 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -83.63 -9.4 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.68 148.37 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.31 19.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.92 -27.81 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -9.27 58.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.3 tt0 -80.35 149.3 30.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -100.34 173.94 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.95 93.4 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.17 -8.05 28.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.59 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -120.27 132.75 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -116.72 168.43 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.0 OUTLIER -87.13 113.63 23.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -138.55 171.84 23.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.884 HG22 ' HB2' ' A' ' 459' ' ' ASP . 12.0 p -138.15 145.77 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.737 . . . . 0.0 109.261 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.512 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 7.7 mtmt -71.54 163.76 27.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.9 tt0 -62.57 -46.3 88.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -35.79 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.884 ' HB2' HG22 ' A' ' 455' ' ' VAL . 89.2 m-20 -67.93 -33.2 74.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.767 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.63 -47.52 63.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -54.28 -26.23 27.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.3 mm-40 -91.28 17.15 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.73 -21.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -57.87 -30.66 66.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -146.07 56.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.08 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.89 -19.43 6.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -107.02 9.04 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.2 5.09 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 108.26 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 151.74 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.625 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -175.69 177.75 47.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 452' ' ' LEU . 0.6 OUTLIER -124.42 163.81 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 451' ' ' TRP . 23.0 p90 -161.0 155.01 18.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.59 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.05 116.9 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.38 -31.0 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.9 OUTLIER -67.47 -23.69 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.957 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -92.54 4.3 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.957 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -133.17 177.72 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -132.72 151.76 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -87.42 133.23 33.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.97 116.08 65.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 271' ' ' GLY . . . . . . . . . . . . . . . 162.12 157.42 8.93 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 272' ' ' SER . . . . . . . . . . . . . 7.7 t -175.03 96.24 0.28 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 273' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.87 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -177.51 167.58 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 275' ' ' ALA . . . . . . . . . . . . . . . -172.66 165.8 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 276' ' ' THR . . . . . . . . . . . . . 7.7 m -156.63 107.81 1.99 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 277' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -176.35 2.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 279' ' ' ILE . 3.6 tt0 176.27 144.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 278' ' ' GLU . 3.6 pt -155.2 -179.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.52 161.72 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 4.2 p -170.48 133.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -144.96 155.9 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 283' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -154.91 -177.72 6.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 284' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.85 106.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.08 7.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -137.81 147.24 56.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -165.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -158.94 169.81 23.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -163.32 176.42 39.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 290' ' ' GLY . . . . . . . . . . . . . . . -178.6 179.18 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -166.47 173.5 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' THR . . . . . . . . . . . . . 46.9 m -151.24 110.61 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.36 20.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 294' ' ' GLY . . . . . . . . . . . . . . . -128.42 -159.48 10.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -171.5 75.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 297' ' ' LEU . 3.3 m -152.05 148.43 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 297' ' ' LEU . . . . . 0.661 HD23 ' CD ' ' A' ' 298' ' ' PRO . 0.0 OUTLIER 161.59 -50.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . 0.661 ' CD ' HD23 ' A' ' 297' ' ' LEU . 18.4 Cg_endo -74.98 114.17 3.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.17 68.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.54 135.48 22.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.963 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.67 25.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.51 74.12 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -98.26 126.78 43.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . 0.428 ' C ' ' OD1' ' A' ' 424' ' ' ASP . 0.1 OUTLIER -177.02 97.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 306' ' ' LYS . 7.8 mtm180 -99.0 110.44 23.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 305' ' ' ARG . 1.3 mmmt 165.57 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' GLY . . . . . . . . . . . . . . . 144.37 138.95 3.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 309' ' ' PRO . 18.4 Cg_endo -75.04 143.59 29.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 308' ' ' PRO . 18.3 Cg_endo -74.94 161.54 38.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . 0.727 HG13 ' HB2' ' A' ' 476' ' ' ASN . 14.8 p -117.06 104.09 51.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 152.14 40.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.91 42.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 314' ' ' PRO . 18.3 Cg_endo -74.99 148.46 35.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 313' ' ' PRO . 18.3 Cg_endo -75.07 69.51 5.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.74 -53.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 316' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -89.06 170.99 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 317' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 318' ' ' PRO . 1.9 m -127.9 138.34 32.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.361 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 318' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 317' ' ' THR . 18.4 Cg_endo -74.97 135.25 18.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.68 168.32 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.88 85.59 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -157.91 120.2 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 33.5 m -86.3 175.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.17 174.19 12.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -148.15 173.34 13.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -175.76 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -143.21 175.04 10.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -163.78 118.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -110.71 136.8 49.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 61.8 p -157.81 147.37 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.013 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.6 tp -173.66 163.89 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -169.92 171.7 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -175.03 176.66 2.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -162.33 155.99 20.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 72.5 m -153.33 135.16 14.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.448 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -179.32 3.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' VAL . . . . . . . . . . . . . 5.4 p -161.42 121.07 1.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -166.62 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.757 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -175.96 159.6 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' ILE . . . . . . . . . . . . . 14.8 tt -171.57 154.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 13.9 t -70.41 127.98 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' VAL . . . . . . . . . . . . . 30.3 t -127.85 125.64 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' THR . . . . . 0.498 HG22 ' HD3' ' A' ' 344' ' ' PRO . 20.1 m 62.33 144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 343' ' ' THR . 2.9 t -171.01 73.44 0.54 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' PRO . . . . . 0.498 ' HD3' HG22 ' A' ' 342' ' ' THR . 18.2 Cg_endo -75.04 175.81 10.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 344' ' ' PRO . 4.0 p 163.56 52.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 347' ' ' PRO . 1.0 OUTLIER -70.24 -49.61 17.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 346' ' ' GLN . 18.3 Cg_endo -74.97 170.94 19.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -174.65 -66.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.45 166.35 10.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -174.22 162.39 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 39.2 p -119.15 155.68 31.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 353' ' ' VAL . 3.7 tt0 179.38 -53.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 353' ' ' VAL . 11.7 p 36.57 52.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -117.04 145.26 43.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' GLY . . . . . . . . . . . . . . . -134.23 -172.77 12.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . 119.15 140.72 6.32 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 358' ' ' GLN . 3.0 t -148.11 -52.94 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.394 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 357' ' ' THR . 72.5 mt-30 -126.49 139.89 35.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -53.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -146.75 179.52 7.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' ALA . . . . . . . . . . . . . . . -158.28 174.71 14.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' GLY . . . . . . . . . . . . . . . 152.63 110.73 0.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -172.58 155.23 3.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -153.36 136.11 15.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -176.13 132.76 0.41 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 107.89 -174.0 18.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.15 167.64 21.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . 7.5 m -125.58 127.3 46.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.431 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -63.01 -66.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.236 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . 60.61 -177.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 13.2 m 61.86 112.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.92 150.13 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.307 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -173.13 172.36 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -168.04 177.69 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.64 120.76 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 25.1 t -171.46 106.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' SER . . . . . 0.615 ' C ' HD13 ' A' ' 379' ' ' LEU . 0.1 OUTLIER -179.37 162.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.011 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.774 HD13 ' N ' ' A' ' 379' ' ' LEU . 0.0 OUTLIER -124.33 164.42 30.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.173 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' PRO . . . . . 0.647 ' O ' ' HB3' ' A' ' 381' ' ' ALA . 18.1 Cg_endo -75.03 -81.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 380' ' ' PRO . . . 80.41 112.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.98 158.53 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 2.5 p -155.55 121.56 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' VAL . . . . . . . . . . . . . 2.4 p -80.1 143.79 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.24 174.85 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 9.6 t -131.64 162.53 30.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.444 ' O ' ' CG ' ' A' ' 387' ' ' PHE . 8.7 p90 -102.79 131.08 22.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 387' ' ' PHE . 18.2 Cg_endo -75.05 -166.39 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -114.86 -178.47 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 2.5 m -137.36 105.59 5.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.455 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' VAL . . . . . . . . . . . . . 85.1 t -121.73 133.06 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -84.23 -46.46 11.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 49.52 -160.26 0.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.2 m -120.12 151.71 38.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 395' ' ' VAL . 1.4 p -171.17 115.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.37 140.55 57.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -89.82 64.52 3.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . 50.82 -169.52 0.3 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.29 123.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.967 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -172.17 159.75 30.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . -100.16 88.31 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 461' ' ' ASN . . . -131.76 169.61 21.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -76.3 -177.06 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.415 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.1 pt? -120.07 -40.66 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.438 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 1.2 m-20 -106.32 153.71 21.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.42 161.05 43.8 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.99 138.7 23.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.0 131.8 14.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 95.58 -19.71 53.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 31.9 t80 -36.84 155.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -115.96 -68.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 14.0 p90 -163.85 176.46 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 138.57 33.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.3 m -119.31 167.25 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 3.0 tp60 -135.04 124.2 24.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.661 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -68.78 152.87 44.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -122.63 -2.5 8.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.9 m-70 -144.72 169.91 17.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 19.9 p-10 -110.52 104.09 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.882 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -115.33 123.93 49.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -87.65 114.58 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.882 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -111.63 117.13 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -120.2 93.26 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.473 ' CB ' ' HG2' ' A' ' 427' ' ' GLU . 37.2 t0 -142.99 178.61 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.4 t -74.59 -13.49 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 7.1 p-10 -159.56 49.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 424' ' ' ASP . 3.5 mm-40 -96.69 170.08 9.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.558 HD13 ' HA3' ' A' ' 471' ' ' GLY . 5.0 tp -127.3 113.29 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.745 ' O ' HD22 ' A' ' 430' ' ' LEU . 2.2 tt0 -79.77 137.59 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -128.17 143.45 51.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.504 ' CD ' ' OD1' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -126.61 126.36 43.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -33.82 102.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.98 47.8 2.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.504 ' OD1' ' CD ' ' A' ' 431' ' ' LYS . 3.2 t70 -108.95 169.69 8.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.22 121.07 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 430' ' ' LEU . 32.9 t -136.72 139.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.865 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -100.62 133.54 44.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.607 HG23 ' CG1' ' A' ' 414' ' ' VAL . 17.9 t -82.73 119.96 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.759 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.45 152.77 78.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.75 4.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -60.0 -176.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -17.32 42.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.418 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -174.02 148.0 1.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.07 -20.9 16.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.27 -18.41 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.17 -15.71 27.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -86.34 141.6 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -89.6 171.41 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.73 113.16 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 97.92 -7.91 63.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.964 ' C ' HD23 ' A' ' 452' ' ' LEU . 2.7 m95 -118.48 149.47 41.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.964 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -135.12 167.55 20.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.33 112.71 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.759 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.97 173.08 21.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.865 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.7 p -137.43 144.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.441 ' CG ' HG22 ' A' ' 436' ' ' VAL . 5.2 mtmp? -75.11 160.88 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 460' ' ' TRP . 15.2 tt0 -58.52 -41.64 85.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.236 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -47.7 83.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 37.3 m-20 -58.86 -32.91 69.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.625 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.4 t90 -52.58 -41.78 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . 0.485 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 1.2 m120 -53.47 -25.82 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -92.93 18.78 8.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 7.6 t60 -45.35 -21.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.9 OUTLIER -58.35 -30.12 66.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -158.79 51.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.433 ' HA ' ' SG ' ' A' ' 469' ' ' CYS . 1.6 pt? -70.51 -29.88 66.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 4.8 tt0 -54.82 -17.9 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -102.4 6.62 40.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 1.6 p -129.68 8.25 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.316 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.7 OUTLIER -56.06 154.32 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.558 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -155.99 179.47 31.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.406 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 3.4 t -126.25 154.48 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -161.24 151.99 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 119.45 5.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -69.37 -32.93 72.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.727 ' HB2' HG13 ' A' ' 310' ' ' VAL . 0.4 OUTLIER -66.21 -24.86 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.888 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -89.9 2.66 54.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.888 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.6 p -129.84 -179.69 5.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -82.52 136.54 34.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.9 135.54 19.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.92 . . . . . . . . 0 0 . 1 stop_ save_